BEGIN IONS
TITLE=CCMSLIB00000078899
PEPMASS=240.118332
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=BUPROPION HYDROCHLORIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
INCHI=InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
INCHIAUX=SNPPWIUOZRMYNY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078899
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078899
SCANS=1099
44.95673370361328	140.0
45.145286560058594	204.0
45.47195816040039	196.0
45.517822265625	184.0
45.54737091064453	252.0
45.62112045288086	104.0
45.661617279052734	264.0
45.70466232299805	304.0
45.742347717285156	144.0
45.814178466796875	164.0
46.0335693359375	156.0
46.064632415771484	176.0
46.09165573120117	164.0
46.128021240234375	172.0
46.15789031982422	184.0
46.21063995361328	160.0
46.487060546875	192.0
46.504703521728516	220.0
46.5233039855957	148.0
46.540138244628906	160.0
46.63645553588867	156.0
46.66636276245117	164.0
46.91959762573242	156.0
47.054664611816406	144.0
47.06558609008789	140.0
47.14274597167969	140.0
47.181175231933594	200.0
47.36372375488281	192.0
47.38701248168945	140.0
47.41852951049805	172.0
47.57352828979492	188.0
47.59961700439453	164.0
47.64494323730469	188.0
47.65593338012695	140.0
47.71503448486328	140.0
47.744224548339844	156.0
47.85261535644531	144.0
47.917545318603516	140.0
47.98212432861328	148.0
48.024688720703125	152.0
48.073158264160156	204.0
48.09938049316406	152.0
48.122161865234375	152.0
48.14356231689453	200.0
48.1822395324707	260.0
48.20864486694336	144.0
48.26931381225586	148.0
48.29071807861328	132.0
48.39107894897461	192.0
48.445091247558594	192.0
48.47201156616211	176.0
48.636871337890625	212.0
48.68782424926758	148.0
48.816917419433594	204.0
48.950653076171875	216.0
49.04121017456055	144.0
49.17662048339844	144.0
49.27285385131836	176.0
49.320369720458984	140.0
49.59471130371094	224.0
49.8571662902832	192.0
49.87543487548828	184.0
49.90496063232422	168.0
50.460472106933594	204.0
50.485694885253906	148.0
50.507137298583984	184.0
50.67985153198242	180.0
50.71931076049805	128.0
50.9437370300293	140.0
51.068824768066406	140.0
51.28239822387695	184.0
51.51853561401367	264.0
51.55928039550781	148.0
51.609256744384766	140.0
51.69084167480469	224.0
51.79678726196289	168.0
51.808250427246094	144.0
51.86843490600586	188.0
51.98604202270508	196.0
52.19145584106445	148.0
52.3367805480957	168.0
52.42641830444336	124.0
52.53278732299805	172.0
52.705833435058594	196.0
52.79855728149414	144.0
52.83905792236328	168.0
53.0113639831543	176.0
53.05919647216797	188.0
53.16508102416992	148.0
53.176692962646484	184.0
53.20862579345703	160.0
53.373680114746094	160.0
53.522972106933594	160.0
53.57802963256836	148.0
53.709224700927734	176.0
53.736942291259766	220.0
53.760066986083984	152.0
53.91508865356445	204.0
53.99257278442383	188.0
54.157958984375	220.0
54.36174392700195	168.0
54.41752243041992	264.0
54.543861389160156	200.0
54.557090759277344	140.0
54.646121978759766	224.0
54.85593032836914	156.0
54.8809928894043	176.0
54.94050598144531	204.0
54.99015808105469	140.0
55.06545639038086	144.0
55.432342529296875	148.0
55.44271469116211	148.0
55.453514099121094	168.0
55.62960433959961	156.0
55.69939422607422	156.0
55.78855514526367	176.0
55.970069885253906	172.0
56.1295051574707	196.0
56.160823822021484	260.0
56.1921501159668	152.0
56.278717041015625	200.0
56.30071258544922	148.0
56.37067413330078	164.0
56.441585540771484	144.0
56.64362716674805	164.0
56.86211395263672	184.0
57.0112190246582	148.0
57.063716888427734	108.0
57.12849807739258	148.0
57.285057067871094	144.0
57.38753890991211	144.0
57.425235748291016	192.0
57.52180480957031	204.0
57.56705856323242	156.0
57.66227722167969	168.0
57.672855377197266	204.0
57.73484420776367	148.0
57.770713806152344	196.0
57.77620315551758	140.0
57.919490814208984	176.0
58.09128952026367	312.0
58.14540481567383	204.0
58.3375244140625	124.0
58.64426803588867	184.0
58.71134948730469	148.0
59.031307220458984	232.0
59.13760757446289	168.0
59.3352165222168	156.0
59.40422821044922	160.0
59.45639419555664	152.0
59.53315353393555	200.0
59.55311965942383	140.0
59.62840270996094	180.0
59.641510009765625	152.0
59.69450759887695	204.0
59.7191162109375	144.0
59.73603439331055	192.0
59.84334182739258	160.0
59.86686325073242	188.0
60.150550842285156	152.0
60.2849235534668	172.0
60.45502853393555	208.0
60.524688720703125	192.0
60.5401725769043	172.0
60.55875778198242	192.0
60.572696685791016	140.0
60.70753860473633	184.0
60.77217102050781	180.0
60.80464172363281	176.0
60.938819885253906	204.0
60.98729705810547	184.0
61.0367431640625	172.0
61.074066162109375	172.0
61.10127258300781	100.0
61.25151443481445	164.0
61.544708251953125	148.0
61.65718078613281	172.0
61.75567626953125	244.0
61.84016799926758	168.0
61.899658203125	216.0
61.94507598876953	272.0
62.15987014770508	200.0
62.36958694458008	180.0
62.66932678222656	144.0
62.680355072021484	168.0
62.69611358642578	168.0
62.866432189941406	204.0
62.98800277709961	172.0
63.02275848388672	244.0
63.06858825683594	204.0
63.190670013427734	200.0
63.80412673950195	196.0
63.855628967285156	176.0
64.32984161376953	156.0
64.39849853515625	188.0
64.44802856445312	164.0
64.63613891601562	192.0
64.7743911743164	156.0
64.80162048339844	160.0
64.8256607055664	196.0
64.93467712402344	152.0
65.01510620117188	148.0
65.22333526611328	304.0
65.34832000732422	96.0
65.48595428466797	160.0
65.6148681640625	156.0
65.7519760131836	172.0
65.78587341308594	176.0
65.81501770019531	148.0
66.10778045654297	96.0
66.13502502441406	216.0
66.36019897460938	156.0
66.39100646972656	140.0
66.4185791015625	144.0
66.58575439453125	176.0
66.69136047363281	196.0
66.71086883544922	160.0
66.81657409667969	164.0
66.84676361083984	184.0
66.89631652832031	132.0
67.03312683105469	224.0
67.29032135009766	224.0
67.38965606689453	144.0
67.44076538085938	212.0
67.50373840332031	260.0
67.6554183959961	228.0
67.71273040771484	168.0
67.75204467773438	180.0
67.85037231445312	148.0
67.9061279296875	160.0
67.99308013916016	140.0
68.06635284423828	176.0
68.10308074951172	140.0
68.28223419189453	172.0
68.46072387695312	140.0
68.59671783447266	156.0
68.65113067626953	168.0
68.77729034423828	160.0
68.7979736328125	168.0
68.82604217529297	180.0
68.87889099121094	276.0
68.9102783203125	168.0
68.9957275390625	200.0
69.1070327758789	140.0
69.32063293457031	196.0
69.449951171875	172.0
69.50303649902344	156.0
69.56278228759766	180.0
69.59598541259766	200.0
69.62247467041016	160.0
69.65909576416016	212.0
69.78250885009766	184.0
69.8036880493164	176.0
69.86023712158203	148.0
69.96841430664062	288.0
70.08833312988281	176.0
70.0999984741211	228.0
70.17849731445312	168.0
70.28008270263672	172.0
70.32847595214844	208.0
70.41362762451172	172.0
70.4804458618164	180.0
70.55565643310547	252.0
70.62924194335938	176.0
70.81000518798828	224.0
70.88874053955078	144.0
70.90948486328125	132.0
70.97590637207031	148.0
71.22932434082031	152.0
71.28553771972656	192.0
71.40412902832031	148.0
71.56903839111328	164.0
71.59093475341797	164.0
71.60440826416016	160.0
71.67515563964844	180.0
71.76229095458984	220.0
71.8538818359375	172.0
71.88594055175781	152.0
71.92644500732422	188.0
71.94501495361328	196.0
72.03282928466797	200.0
72.05140686035156	152.0
72.06855010986328	136.0
72.15788269042969	256.0
72.19170379638672	160.0
72.27796936035156	164.0
72.29997253417969	180.0
72.32028198242188	156.0
72.58116912841797	148.0
72.69746398925781	140.0
72.77290344238281	196.0
72.87821197509766	164.0
72.99788665771484	108.0
73.04141235351562	200.0
73.11117553710938	148.0
73.22694396972656	160.0
73.43146514892578	184.0
73.45875549316406	180.0
73.48775482177734	156.0
73.53211975097656	148.0
73.58333587646484	148.0
73.64894104003906	156.0
73.75758361816406	224.0
73.86188507080078	228.0
73.87386322021484	144.0
73.90204620361328	244.0
73.9799575805664	172.0
74.24553680419922	180.0
74.35362243652344	168.0
74.42400360107422	188.0
74.56486511230469	144.0
74.69381713867188	156.0
74.73683166503906	180.0
74.75593566894531	176.0
74.84182739257812	160.0
74.86980438232422	160.0
74.90037536621094	180.0
75.4017105102539	176.0
75.72599792480469	164.0
75.76930236816406	188.0
75.81668090820312	128.0
75.93997955322266	156.0
76.05542755126953	160.0
76.08766174316406	116.0
76.3473129272461	168.0
76.45521545410156	160.0
76.48824310302734	164.0
76.87553405761719	224.0
76.98418426513672	160.0
77.00212860107422	192.0
77.04186248779297	176.0
77.07073211669922	192.0
77.10218811035156	192.0
77.11441802978516	140.0
77.12840270996094	204.0
77.17596435546875	176.0
77.21757507324219	196.0
77.25955200195312	156.0
77.3838119506836	252.0
77.79580688476562	144.0
77.8941421508789	164.0
77.90995025634766	220.0
77.9486083984375	212.0
77.98199462890625	140.0
78.03473663330078	172.0
78.14557647705078	176.0
78.2986831665039	156.0
78.56660461425781	204.0
78.6107177734375	140.0
78.64248657226562	180.0
78.698974609375	148.0
78.71682739257812	144.0
78.85796356201172	192.0
78.91983795166016	228.0
79.05249786376953	160.0
79.15339660644531	152.0
79.29866790771484	144.0
79.53811645507812	144.0
79.65962219238281	140.0
79.67578887939453	144.0
79.70619201660156	144.0
79.90419006347656	224.0
80.27111053466797	156.0
80.52809143066406	140.0
80.55131530761719	176.0
80.57275390625	204.0
80.64422607421875	184.0
80.67961120605469	192.0
80.7336196899414	140.0
80.89495086669922	192.0
80.98955535888672	140.0
81.09706115722656	196.0
81.2010498046875	140.0
81.23333740234375	156.0
81.2943344116211	180.0
81.3499755859375	160.0
81.42359161376953	144.0
81.98582458496094	188.0
82.02906036376953	188.0
82.11109161376953	256.0
82.13453674316406	208.0
82.16971588134766	216.0
82.29875946044922	152.0
82.43604278564453	160.0
82.53886413574219	204.0
82.62167358398438	132.0
82.6598892211914	152.0
82.71637725830078	148.0
82.74715423583984	260.0
82.91301727294922	176.0
83.01713562011719	176.0
83.14594268798828	160.0
83.16853332519531	160.0
83.26394653320312	172.0
83.2802963256836	144.0
83.29300689697266	160.0
83.45838928222656	192.0
83.5060806274414	228.0
83.57030487060547	120.0
83.63484954833984	196.0
83.95185852050781	216.0
84.14344787597656	172.0
84.2000503540039	144.0
84.32063293457031	156.0
84.44129943847656	328.0
84.53826141357422	192.0
84.6023178100586	140.0
84.77449035644531	204.0
84.81114959716797	148.0
84.98653411865234	144.0
85.09181213378906	164.0
85.14740753173828	160.0
85.1689453125	160.0
85.30900573730469	180.0
85.5679931640625	180.0
85.77577209472656	152.0
85.8794174194336	148.0
85.91654205322266	160.0
85.93660736083984	160.0
86.10828399658203	252.0
86.4151382446289	180.0
86.42993927001953	204.0
86.4521484375	268.0
86.78742218017578	156.0
86.80967712402344	196.0
86.86902618408203	156.0
87.12335205078125	192.0
87.2292709350586	216.0
87.2624740600586	168.0
87.27947235107422	236.0
87.34732055664062	232.0
87.39997863769531	152.0
87.71884155273438	168.0
87.74208068847656	112.0
87.78223419189453	152.0
87.82512664794922	144.0
88.02668762207031	204.0
88.06165313720703	160.0
88.20603942871094	268.0
88.22099304199219	140.0
88.23969268798828	188.0
88.27521514892578	144.0
88.58965301513672	160.0
88.61213684082031	156.0
88.80146789550781	180.0
88.85211181640625	184.0
88.86524200439453	264.0
88.97972869873047	224.0
89.04733276367188	216.0
89.22948455810547	124.0
89.359375	164.0
89.60672760009766	164.0
89.65123748779297	224.0
89.71531677246094	160.0
90.04277801513672	132.0
90.11353302001953	152.0
90.30393981933594	176.0
90.48612213134766	164.0
90.59596252441406	160.0
90.63006591796875	140.0
90.6471176147461	144.0
90.66986083984375	184.0
91.1271743774414	172.0
91.18940734863281	144.0
91.41048431396484	176.0
91.52088165283203	292.0
91.75332641601562	172.0
91.91926574707031	180.0
91.9860610961914	180.0
92.13692474365234	208.0
92.15794372558594	212.0
92.17131805419922	148.0
92.31478881835938	148.0
92.50746154785156	132.0
92.52515411376953	184.0
92.54621887207031	196.0
92.59408569335938	156.0
92.66496276855469	188.0
92.80104064941406	200.0
92.91345977783203	224.0
92.93338775634766	140.0
92.96429443359375	188.0
93.1380386352539	212.0
93.26644897460938	212.0
93.5426025390625	188.0
93.57725524902344	168.0
93.7043685913086	160.0
93.73519897460938	140.0
93.93185424804688	224.0
93.95500183105469	160.0
93.97762298583984	176.0
94.16539764404297	268.0
94.31803894042969	248.0
94.46693420410156	148.0
94.56755065917969	184.0
94.60820007324219	156.0
94.64498901367188	188.0
94.92335510253906	164.0
94.96668243408203	160.0
95.04039764404297	160.0
95.19956970214844	232.0
95.23258972167969	144.0
95.5494384765625	168.0
95.56306457519531	236.0
95.63311767578125	160.0
95.6876220703125	140.0
95.92755126953125	176.0
96.00133514404297	140.0
96.47969818115234	176.0
96.80644989013672	172.0
96.83690643310547	124.0
97.02001953125	172.0
97.0455093383789	232.0
97.12266540527344	176.0
97.36399841308594	312.0
97.40071105957031	184.0
97.42073059082031	168.0
97.45571899414062	160.0
97.76641082763672	176.0
97.85637664794922	232.0
98.04723358154297	112.0
98.33794403076172	152.0
98.3537368774414	140.0
98.5542221069336	100.0
98.59469604492188	176.0
98.7370376586914	144.0
98.76472473144531	164.0
98.79637145996094	180.0
98.85771179199219	172.0
98.97054290771484	184.0
99.0517349243164	228.0
99.14881896972656	248.0
99.37967681884766	184.0
99.40662384033203	168.0
99.42646789550781	156.0
99.44752502441406	204.0
99.53482055664062	172.0
99.57337951660156	172.0
99.68463134765625	152.0
99.73033905029297	144.0
99.8747787475586	168.0
100.21250915527344	176.0
100.23583221435547	160.0
100.36739349365234	156.0
100.41126251220703	196.0
100.48706817626953	276.0
100.52098846435547	144.0
100.54093933105469	208.0
100.70465087890625	188.0
100.72063446044922	160.0
100.81852722167969	140.0
100.89310455322266	168.0
100.97647094726562	204.0
101.04447937011719	144.0
101.15306854248047	212.0
101.20059204101562	164.0
101.23463439941406	204.0
101.37466430664062	184.0
101.46224212646484	160.0
101.49633026123047	160.0
101.71380615234375	172.0
101.80415344238281	176.0
101.87042999267578	148.0
101.9604721069336	148.0
102.01110076904297	144.0
102.04853057861328	240.0
102.30996704101562	140.0
102.43124389648438	228.0
102.5666732788086	148.0
102.59085845947266	148.0
102.62715148925781	160.0
102.65640258789062	260.0
102.72392272949219	244.0
103.03497314453125	172.0
103.05499267578125	10732.0
103.12877655029297	148.0
103.17684173583984	152.0
103.20410919189453	168.0
103.26608276367188	152.0
103.30168914794922	212.0
103.39600372314453	144.0
103.60331726074219	156.0
103.9094467163086	184.0
104.05963897705078	1448.0
104.13680267333984	144.0
104.15711212158203	176.0
104.17945861816406	144.0
104.21195983886719	188.0
104.46405792236328	184.0
104.5210189819336	156.0
104.6105728149414	204.0
104.64925384521484	188.0
104.76705932617188	232.0
104.87129974365234	152.0
104.96915435791016	228.0
105.01809692382812	156.0
105.22176361083984	144.0
105.413330078125	208.0
105.516357421875	240.0
105.59406280517578	148.0
105.80958557128906	196.0
105.97480773925781	168.0
106.02885437011719	236.0
106.06575775146484	180.0
106.14698791503906	284.0
106.20441436767578	144.0
106.25774383544922	208.0
106.40140533447266	180.0
106.47577667236328	148.0
106.55338287353516	208.0
106.79389190673828	148.0
106.82886505126953	156.0
106.89469909667969	176.0
106.9173355102539	188.0
107.13147735595703	140.0
107.17474365234375	140.0
107.3087158203125	148.0
107.3272705078125	168.0
107.37676239013672	208.0
107.44534301757812	128.0
107.47371673583984	152.0
107.56039428710938	160.0
107.6202621459961	196.0
107.80203247070312	156.0
107.95500946044922	168.0
107.97982788085938	144.0
108.03153991699219	144.0
108.25714111328125	148.0
108.29833221435547	220.0
108.3544921875	184.0
108.54039764404297	144.0
108.60946655273438	172.0
108.88758850097656	140.0
109.25550079345703	168.0
109.27838897705078	184.0
109.36787414550781	260.0
109.51986694335938	188.0
109.64002990722656	184.0
109.72200012207031	188.0
109.75952911376953	188.0
109.9284896850586	148.0
110.18531799316406	140.0
110.3525161743164	152.0
110.37995910644531	132.0
110.66844940185547	152.0
110.71870422363281	160.0
110.83043670654297	200.0
111.00040435791016	404.0
111.17572021484375	196.0
111.19461059570312	160.0
111.26544952392578	188.0
111.41260528564453	216.0
111.46550750732422	168.0
111.57901000976562	176.0
111.88827514648438	152.0
111.90511322021484	272.0
112.11616516113281	144.0
112.3076171875	196.0
112.36245727539062	196.0
112.46163940429688	292.0
112.58197784423828	152.0
112.6115493774414	192.0
112.87700653076172	144.0
112.89474487304688	140.0
112.95503997802734	236.0
113.0110855102539	376.0
113.24817657470703	164.0
113.26300811767578	228.0
113.32231903076172	212.0
113.37105560302734	156.0
113.44735717773438	156.0
113.5130844116211	156.0
113.67758178710938	220.0
113.72311401367188	144.0
113.74433898925781	140.0
113.88023376464844	148.0
113.97795104980469	176.0
114.00557708740234	204.0
114.03533172607422	172.0
114.14800262451172	148.0
114.63121795654297	148.0
114.64826202392578	144.0
114.6781005859375	208.0
114.71131896972656	232.0
114.84654235839844	168.0
114.9020004272461	256.0
115.01116180419922	184.0
115.18806457519531	212.0
115.31908416748047	212.0
115.50033569335938	180.0
115.58358001708984	240.0
115.82376098632812	148.0
115.84906005859375	188.0
115.87691497802734	140.0
115.93476867675781	160.0
116.02478790283203	160.0
116.05282592773438	160.0
116.36805725097656	140.0
116.41314697265625	184.0
116.50607299804688	152.0
116.70323181152344	172.0
116.72903442382812	172.0
116.7914047241211	216.0
116.84303283691406	152.0
116.98722076416016	184.0
117.14427185058594	180.0
117.36947631835938	216.0
117.46560668945312	192.0
117.56053924560547	164.0
117.6187515258789	148.0
117.85490417480469	220.0
117.94497680664062	156.0
117.97523498535156	176.0
118.04010009765625	152.0
118.07037353515625	252.0
118.19800567626953	140.0
118.2867431640625	148.0
118.32353973388672	172.0
118.4794692993164	172.0
118.67159271240234	232.0
118.6954345703125	168.0
118.99346160888672	164.0
119.06784057617188	128.0
119.35414123535156	208.0
119.39328002929688	144.0
119.47811126708984	156.0
119.69271087646484	268.0
119.81779479980469	136.0
120.04005432128906	196.0
120.29313659667969	180.0
120.3608169555664	184.0
120.56615447998047	176.0
120.60768127441406	140.0
120.76948547363281	144.0
121.02680206298828	124.0
121.24677276611328	180.0
121.28077697753906	132.0
121.34541320800781	196.0
121.36793518066406	192.0
121.3914566040039	140.0
121.60935974121094	148.0
121.69865417480469	152.0
121.88563537597656	124.0
122.06340026855469	224.0
122.17337036132812	188.0
122.21727752685547	184.0
122.28779602050781	212.0
122.34722900390625	172.0
122.40447235107422	216.0
122.43309783935547	148.0
122.57408142089844	232.0
122.64181518554688	180.0
122.7112808227539	180.0
122.7945327758789	168.0
122.80997467041016	156.0
122.84526824951172	164.0
123.05865478515625	116.0
123.10635375976562	232.0
123.25149536132812	156.0
123.2669677734375	164.0
123.3133773803711	148.0
123.5035171508789	172.0
124.00833892822266	140.0
124.07040405273438	176.0
124.32817840576172	148.0
124.36321258544922	216.0
124.6874771118164	196.0
124.77194213867188	164.0
124.84976196289062	208.0
124.90390014648438	172.0
125.01216125488281	172.0
125.23702239990234	160.0
125.42864227294922	180.0
125.62479400634766	108.0
125.66436004638672	172.0
125.72974395751953	192.0
125.80339813232422	172.0
126.10271453857422	184.0
126.24131774902344	220.0
126.38448333740234	220.0
126.63968658447266	176.0
126.84358215332031	160.0
126.92205047607422	184.0
126.96914672851562	160.0
127.01028442382812	280.0
127.40459442138672	160.0
127.48098754882812	160.0
127.62035369873047	148.0
127.67431640625	164.0
127.80531311035156	172.0
127.98035430908203	348.0
128.04969787597656	544.0
128.0704345703125	176.0
128.17857360839844	164.0
128.22779846191406	204.0
128.42987060546875	116.0
128.45362854003906	164.0
128.55514526367188	184.0
128.63037109375	172.0
128.68858337402344	176.0
128.73245239257812	152.0
128.79672241210938	204.0
128.8690185546875	164.0
128.88482666015625	148.0
129.05416870117188	204.0
129.08148193359375	192.0
129.126708984375	160.0
129.20135498046875	144.0
129.27603149414062	156.0
129.2918701171875	160.0
129.31675720214844	160.0
129.408447265625	176.0
129.55723571777344	140.0
129.65504455566406	176.0
129.67404174804688	256.0
129.693359375	192.0
129.75521850585938	200.0
129.85826110839844	192.0
129.90284729003906	128.0
129.94898986816406	148.0
129.96942138671875	176.0
130.00572204589844	340.0
130.0657958984375	80884.0
130.1315155029297	156.0
130.33123779296875	184.0
130.35824584960938	124.0
130.3873291015625	180.0
130.43505859375	104.0
130.4835968017578	120.0
130.50497436523438	112.0
130.58787536621094	180.0
130.60305786132812	292.0
130.62014770507812	136.0
130.69456481933594	172.0
130.71461486816406	168.0
130.7976837158203	208.0
130.84927368164062	172.0
130.89454650878906	188.0
130.9149932861328	164.0
130.99534606933594	308.0
131.02345275878906	320.0
131.0499725341797	936.0
131.07418823242188	153980.0
131.11936950683594	260.0
131.1923828125	176.0
131.25299072265625	144.0
131.333984375	164.0
131.44863891601562	1532.0
131.4769287109375	132.0
131.58570861816406	120.0
131.62599182128906	212.0
131.69586181640625	108.0
131.7063751220703	96.0
131.8227996826172	104.0
131.847900390625	176.0
131.89666748046875	144.0
131.96665954589844	124.0
131.98623657226562	316.0
132.0576934814453	2616.0
132.07687377929688	13180.0
132.1852569580078	120.0
132.2180938720703	112.0
132.2693328857422	144.0
132.3197784423828	168.0
132.44296264648438	192.0
132.51913452148438	264.0
132.69886779785156	200.0
132.8195037841797	188.0
132.91407775878906	208.0
132.99082946777344	156.0
133.01486206054688	220.0
133.0604705810547	356.0
133.07772827148438	1056.0
133.1089324951172	164.0
133.13992309570312	108.0
133.20909118652344	156.0
133.45269775390625	184.0
133.7218475341797	164.0
133.7931365966797	156.0
133.9152374267578	184.0
134.02120971679688	344.0
134.0628204345703	324.0
134.25863647460938	168.0
134.51473999023438	172.0
135.07162475585938	228.0
135.21044921875	140.0
135.30226135253906	208.0
135.45700073242188	132.0
135.48098754882812	200.0
135.70558166503906	128.0
136.13079833984375	188.0
136.40951538085938	116.0
136.53981018066406	168.0
136.64439392089844	112.0
136.9866943359375	152.0
137.16612243652344	180.0
137.3853302001953	172.0
137.61170959472656	140.0
137.6453399658203	128.0
137.6654052734375	140.0
137.819580078125	148.0
137.8536834716797	164.0
137.96681213378906	140.0
137.98272705078125	168.0
138.03387451171875	112.0
138.2896270751953	152.0
138.43711853027344	152.0
138.45584106445312	172.0
138.5340576171875	176.0
138.77218627929688	144.0
138.82398986816406	172.0
138.91290283203125	156.0
138.96397399902344	140.0
138.9949493408203	4756.0
139.03160095214844	65596.0
139.09376525878906	100.0
139.1309814453125	120.0
139.20150756835938	120.0
139.22891235351562	100.0
139.263916015625	220.0
139.4165802001953	152.0
139.62384033203125	112.0
139.96958923339844	236.0
139.99752807617188	168.0
140.0349884033203	3480.0
140.0670623779297	152.0
140.09902954101562	148.0
140.1622314453125	112.0
140.18722534179688	168.0
140.24481201171875	136.0
140.57395935058594	140.0
140.7675323486328	180.0
140.80709838867188	116.0
140.93356323242188	272.0
140.99114990234375	1312.0
141.02818298339844	15440.0
141.0988311767578	128.0
141.1649627685547	120.0
141.19097900390625	208.0
141.20945739746094	168.0
141.25743103027344	96.0
141.44674682617188	164.0
141.64495849609375	244.0
141.69741821289062	236.0
141.7863311767578	144.0
141.99337768554688	156.0
142.03265380859375	772.0
142.0574188232422	144.0
142.08578491210938	180.0
142.21759033203125	104.0
142.76759338378906	140.0
142.9936065673828	148.0
143.49473571777344	128.0
143.98300170898438	140.0
144.10243225097656	156.0
144.36134338378906	176.0
144.60939025878906	140.0
144.78416442871094	224.0
144.9973907470703	196.0
145.0514373779297	188.0
145.48910522460938	140.0
145.7484893798828	160.0
145.85183715820312	164.0
145.96002197265625	188.0
146.0615692138672	124.0
146.15003967285156	152.0
146.1789093017578	164.0
146.4678192138672	152.0
146.53286743164062	168.0
147.0631866455078	172.0
147.1357879638672	164.0
147.3724822998047	164.0
147.40147399902344	224.0
147.64805603027344	176.0
147.67762756347656	192.0
148.07752990722656	516.0
148.45933532714844	200.0
148.57888793945312	164.0
148.7990264892578	176.0
149.0165557861328	164.0
149.03948974609375	160.0
149.078369140625	164.0
149.22177124023438	152.0
149.55227661132812	144.0
149.568115234375	196.0
150.00753784179688	208.0
150.0763702392578	300.0
150.34359741210938	160.0
150.3983917236328	148.0
150.42034912109375	240.0
150.5717315673828	148.0
151.01852416992188	5032.0
151.17556762695312	148.0
151.20738220214844	164.0
151.28390502929688	268.0
151.32489013671875	212.0
151.94985961914062	212.0
152.0227508544922	320.0
152.43775939941406	180.0
152.9057159423828	144.0
153.01516723632812	1512.0
153.27264404296875	144.0
153.52552795410156	212.0
153.54380798339844	176.0
153.59066772460938	188.0
153.6128692626953	152.0
153.6331329345703	152.0
153.70169067382812	140.0
153.97076416015625	196.0
154.10302734375	164.0
154.28787231445312	228.0
154.93295288085938	192.0
154.95277404785156	212.0
155.16094970703125	204.0
155.43130493164062	196.0
156.03982543945312	196.0
156.15171813964844	172.0
156.47023010253906	180.0
156.53746032714844	148.0
156.60968017578125	160.0
156.72178649902344	144.0
156.88128662109375	148.0
157.3378143310547	224.0
157.50762939453125	140.0
157.6015625	204.0
157.8275146484375	180.0
158.07278442382812	360.0
158.15023803710938	156.0
158.32298278808594	180.0
158.5509490966797	228.0
158.63206481933594	268.0
158.88946533203125	144.0
159.29476928710938	168.0
159.36398315429688	216.0
159.5474395751953	204.0
160.34414672851562	244.0
160.55462646484375	148.0
160.57479858398438	140.0
161.02151489257812	156.0
161.2539520263672	172.0
161.5700225830078	144.0
161.5978546142578	188.0
161.6914825439453	160.0
161.75729370117188	176.0
161.84083557128906	204.0
161.86868286132812	180.0
162.3070526123047	188.0
162.41102600097656	140.0
162.76791381835938	224.0
162.97206115722656	184.0
163.00509643554688	216.0
163.32542419433594	152.0
164.01036071777344	252.0
164.19903564453125	208.0
164.28321838378906	140.0
164.67886352539062	152.0
164.77304077148438	124.0
164.8397979736328	208.0
164.9386444091797	232.0
165.02926635742188	156.0
165.244873046875	176.0
165.2744903564453	148.0
165.41525268554688	144.0
165.50933837890625	192.0
165.65516662597656	116.0
165.6943817138672	184.0
165.7949676513672	184.0
165.8353271484375	204.0
165.86758422851562	288.0
165.92135620117188	236.0
165.96986389160156	200.0
166.0061798095703	520.0
166.04238891601562	142780.0
166.11044311523438	216.0
166.21697998046875	180.0
166.29193115234375	132.0
166.3380584716797	200.0
166.35699462890625	224.0
166.41310119628906	172.0
166.50904846191406	128.0
166.54640197753906	132.0
166.57559204101562	140.0
166.59335327148438	168.0
166.64553833007812	176.0
166.67938232421875	136.0
166.70864868164062	200.0
166.73414611816406	164.0
166.79014587402344	160.0
166.8132781982422	216.0
166.85458374023438	304.0
166.8901824951172	180.0
166.97459411621094	576.0
166.9933319091797	160.0
167.0266571044922	56460.0
167.23289489746094	320.0
167.26161193847656	180.0
167.31161499023438	160.0
167.3419189453125	172.0
167.43478393554688	188.0
167.68223571777344	120.0
167.78843688964844	164.0
167.8518829345703	108.0
168.00376892089844	432.0
168.03887939453125	34044.0
168.12005615234375	176.0
168.142333984375	268.0
168.1643524169922	212.0
168.30804443359375	124.0
168.36199951171875	96.0
168.4121856689453	160.0
168.46568298339844	216.0
168.56817626953125	128.0
168.65631103515625	168.0
168.73094177246094	184.0
168.8819580078125	140.0
168.8993682861328	212.0
169.02308654785156	14536.0
169.12965393066406	284.0
169.29100036621094	112.0
169.37355041503906	184.0
169.39309692382812	228.0
169.419677734375	152.0
169.44619750976562	100.0
169.57839965820312	156.0
169.9589385986328	184.0
169.97711181640625	180.0
170.02610778808594	1432.0
170.08029174804688	132.0
170.112060546875	140.0
170.1512908935547	144.0
170.3084259033203	100.0
170.40525817871094	116.0
170.7755584716797	104.0
170.96456909179688	184.0
171.47042846679688	152.0
172.09707641601562	148.0
172.21861267089844	160.0
172.2492218017578	200.0
172.45376586914062	156.0
172.52957153320312	168.0
172.6096954345703	136.0
172.86434936523438	192.0
173.11279296875	132.0
173.29534912109375	200.0
174.4774169921875	216.0
175.178955078125	104.0
175.2907257080078	228.0
175.45941162109375	192.0
175.5437774658203	156.0
175.66647338867188	100.0
176.23304748535156	156.0
176.46075439453125	156.0
176.6557159423828	140.0
177.16734313964844	132.0
177.5095672607422	112.0
177.5562744140625	184.0
177.64744567871094	160.0
177.7366485595703	164.0
177.83749389648438	200.0
178.14285278320312	148.0
178.18801879882812	176.0
178.30227661132812	200.0
178.53622436523438	200.0
178.58143615722656	144.0
178.63729858398438	180.0
178.6638946533203	144.0
178.7171173095703	148.0
178.969970703125	152.0
179.0791473388672	184.0
179.12136840820312	108.0
179.24365234375	96.0
179.65757751464844	148.0
179.8374481201172	244.0
179.88172912597656	156.0
179.9671630859375	140.0
180.16748046875	144.0
180.55772399902344	148.0
181.27784729003906	160.0
181.31268310546875	144.0
181.42526245117188	196.0
181.94570922851562	148.0
182.3732452392578	204.0
182.80043029785156	140.0
182.87847900390625	164.0
183.0220947265625	96.0
183.0733642578125	100.0
183.1085662841797	160.0
183.25506591796875	204.0
183.32015991210938	148.0
183.36508178710938	184.0
183.4693603515625	100.0
183.51345825195312	112.0
183.54388427734375	140.0
183.5870361328125	248.0
183.6397705078125	144.0
183.7122039794922	132.0
183.76930236816406	160.0
183.837646484375	144.0
183.89247131347656	184.0
183.9126434326172	172.0
183.9420166015625	176.0
183.97731018066406	216.0
183.99806213378906	184.0
184.0231170654297	920.0
184.05459594726562	216972.0
184.14047241210938	252.0
184.2395477294922	164.0
184.26968383789062	220.0
184.30447387695312	464.0
184.38101196289062	200.0
184.41055297851562	136.0
184.44284057617188	208.0
184.4677276611328	280.0
184.4972381591797	10064.0
184.54693603515625	192.0
184.58798217773438	100.0
184.6245574951172	208.0
184.67266845703125	164.0
184.69891357421875	148.0
184.7266845703125	152.0
184.75082397460938	272.0
184.79110717773438	272.0
184.87001037597656	104.0
184.97052001953125	188.0
185.05584716796875	35252.0
185.1183319091797	144.0
185.2246856689453	308.0
185.2728729248047	172.0
185.37118530273438	144.0
185.4899444580078	132.0
185.5343780517578	300.0
185.60662841796875	224.0
185.65553283691406	128.0
185.74105834960938	240.0
185.797119140625	352.0
185.823486328125	128.0
185.84739685058594	148.0
185.90928649902344	200.0
185.95083618164062	156.0
185.98289489746094	268.0
186.05072021484375	128300.0
186.15660095214844	100.0
186.22508239746094	256.0
186.2707977294922	220.0
186.281005859375	340.0
186.31082153320312	200.0
186.3411102294922	252.0
186.37924194335938	256.0
186.41519165039062	204.0
186.4563446044922	224.0
186.4969024658203	272.0
186.53411865234375	188.0
186.58482360839844	200.0
186.61773681640625	176.0
186.83079528808594	124.0
186.8561553955078	160.0
187.0531768798828	4092.0
187.10897827148438	100.0
187.3756866455078	136.0
187.43154907226562	136.0
187.6610870361328	124.0
187.82948303222656	208.0
188.00860595703125	156.0
188.2041015625	188.0
188.2437744140625	172.0
188.2982940673828	100.0
188.3723602294922	132.0
188.54884338378906	148.0
188.5743408203125	152.0
189.19993591308594	96.0
189.87326049804688	128.0
190.2009735107422	100.0
190.6324920654297	176.0
191.36415100097656	108.0
192.05032348632812	144.0
194.14395141601562	148.0
194.1661376953125	176.0
194.79351806640625	108.0
195.32711791992188	176.0
196.66343688964844	156.0
198.47738647460938	180.0
199.8731689453125	128.0
199.96908569335938	164.0
202.06288146972656	200.0
202.31192016601562	196.0
203.44302368164062	144.0
204.00265502929688	144.0
204.06520080566406	144.0
209.60955810546875	180.0
210.52110290527344	172.0
212.8173370361328	148.0
214.37353515625	240.0
214.72628784179688	180.0
216.09324645996094	96.0
216.43287658691406	212.0
217.4002227783203	196.0
217.5234832763672	148.0
222.48292541503906	140.0
224.57778930664062	168.0
225.07542419433594	136.0
229.5984649658203	168.0
229.77642822265625	184.0
236.90870666503906	140.0
237.202880859375	148.0
238.8030242919922	148.0
238.95025634765625	204.0
239.05178833007812	156.0
239.08901977539062	204.0
239.53428649902344	104.0
239.67562866210938	128.0
239.79591369628906	96.0
239.82614135742188	180.0
239.8926239013672	140.0
240.07530212402344	152.0
240.1158447265625	103656.0
240.3232879638672	112.0
240.4646453857422	136.0
240.51065063476562	216.0
240.58627319335938	112.0
240.62232971191406	184.0
240.88282775878906	140.0
241.02487182617188	120.0
241.11904907226562	9656.0
241.2967529296875	120.0
241.78909301757812	140.0
241.8834991455078	96.0
242.1130828857422	25492.0
242.19015502929688	112.0
242.3767547607422	172.0
242.79722595214844	108.0
242.9307861328125	104.0
243.1149139404297	1548.0
243.5743865966797	96.0
243.66346740722656	100.0
244.6781463623047	108.0
244.75897216796875	112.0
244.87969970703125	120.0
257.7950744628906	152.0
261.57965087890625	148.0
287.39764404296875	120.0
366.79864501953125	144.0
401.3804016113281	148.0
536.4005737304688	148.0
552.9970092773438	140.0
586.5048828125	148.0
596.3449096679688	160.0
856.0750732421875	172.0
960.9298095703125	144.0
964.6661376953125	192.0
971.087158203125	152.0
994.6226806640625	152.0
1006.5782470703125	164.0
1007.127685546875	148.0
1022.827392578125	160.0
1026.556396484375	224.0
1033.6705322265625	224.0
1036.2701416015625	164.0
1040.0224609375	144.0
1043.8570556640625	160.0
1044.2171630859375	156.0
1045.310791015625	232.0
1045.9415283203125	184.0
1047.1326904296875	180.0
1051.51025390625	240.0
1062.620849609375	160.0
1073.9854736328125	144.0
1075.6036376953125	176.0
1077.24267578125	188.0
1077.314453125	168.0
1083.0709228515625	192.0
1084.591064453125	168.0
1086.0269775390625	164.0
1094.6822509765625	140.0
1099.1119384765625	164.0
1103.0084228515625	320.0
1107.6005859375	152.0
1115.1180419921875	292.0
1118.1773681640625	264.0
1119.781982421875	224.0
1136.6954345703125	140.0
1138.125244140625	208.0
1138.393798828125	144.0
1138.7833251953125	176.0
1156.1707763671875	140.0
1160.8314208984375	208.0
1164.4893798828125	152.0
1167.61572265625	208.0
1170.8619384765625	152.0
1174.9039306640625	156.0
1181.55126953125	216.0
1185.3101806640625	192.0
1185.8995361328125	140.0
1187.95654296875	204.0
1188.0457763671875	144.0
1189.1641845703125	164.0
1190.38623046875	200.0
1194.798828125	176.0
1196.574462890625	192.0
1196.8704833984375	176.0
1198.1005859375	288.0
1200.2330322265625	180.0
1208.2379150390625	168.0
1210.6119384765625	160.0
1213.1131591796875	144.0
1213.9798583984375	140.0
1215.2562255859375	180.0
1221.675537109375	168.0
1222.87939453125	152.0
1225.2886962890625	208.0
1229.7655029296875	204.0
1230.45654296875	256.0
1230.631103515625	144.0
1233.6630859375	200.0
1235.6142578125	204.0
1236.510009765625	144.0
1237.5880126953125	204.0
1245.9058837890625	168.0
1247.4378662109375	224.0
1252.3634033203125	148.0
1257.8067626953125	160.0
1268.0201416015625	188.0
1275.1173095703125	140.0
1276.0201416015625	156.0
1278.381591796875	148.0
1279.1573486328125	184.0
1285.179443359375	192.0
1286.671142578125	168.0
1292.696533203125	144.0
1294.9659423828125	168.0
1297.516845703125	140.0
1299.01171875	208.0
1302.6563720703125	208.0
1304.4659423828125	220.0
1309.5963134765625	168.0
1311.8084716796875	160.0
1311.8878173828125	152.0
1313.5390625	148.0
1318.5355224609375	172.0
1321.2542724609375	192.0
1326.4320068359375	144.0
1327.1932373046875	148.0
1330.04443359375	156.0
1331.9031982421875	176.0
1334.330322265625	148.0
1336.1702880859375	144.0
1339.6064453125	176.0
1339.8978271484375	164.0
1340.772216796875	220.0
1347.0543212890625	140.0
1347.2076416015625	180.0
1347.4268798828125	148.0
1349.7584228515625	256.0
1350.1021728515625	148.0
1352.1944580078125	300.0
1353.8050537109375	216.0
1355.3653564453125	140.0
1362.078125	140.0
1362.643798828125	152.0
1363.709228515625	184.0
1364.2752685546875	144.0
1364.745849609375	144.0
1365.6282958984375	164.0
1366.2608642578125	152.0
1371.50390625	196.0
1372.5802001953125	156.0
1376.5455322265625	148.0
1386.4925537109375	188.0
1389.243408203125	188.0
1393.6756591796875	168.0
1395.3182373046875	192.0
1404.5894775390625	140.0
1412.0511474609375	200.0
1412.7392578125	156.0
1414.6251220703125	176.0
1422.5185546875	200.0
1425.8233642578125	156.0
1427.88330078125	152.0
1428.394775390625	144.0
1430.97607421875	156.0
1433.3863525390625	216.0
1434.5018310546875	188.0
1435.218017578125	224.0
1437.6619873046875	144.0
1438.416748046875	200.0
1442.1707763671875	160.0
1446.194580078125	184.0
1446.6185302734375	140.0
1447.171142578125	160.0
1448.1859130859375	140.0
1451.1412353515625	164.0
1451.6417236328125	188.0
1460.6187744140625	180.0
1463.3887939453125	196.0
1466.0167236328125	152.0
1467.7471923828125	156.0
1468.319091796875	240.0
1471.77587890625	140.0
1481.2208251953125	168.0
1481.7493896484375	200.0
1483.412353515625	144.0
1490.5577392578125	152.0
1491.641357421875	144.0
1491.702880859375	192.0
1491.89501953125	204.0
1494.5406494140625	148.0
1495.433349609375	192.0
1495.533447265625	160.0
1498.2515869140625	164.0
1499.6070556640625	160.0
1500.1165771484375	196.0
1500.2784423828125	164.0
1505.5947265625	180.0
1508.4071044921875	332.0
1508.8863525390625	144.0
1508.9482421875	160.0
1509.0565185546875	164.0
1513.9854736328125	172.0
1515.3565673828125	140.0
1516.6119384765625	144.0
1518.3719482421875	184.0
1518.589111328125	144.0
1518.95361328125	184.0
1522.306396484375	176.0
1525.2198486328125	192.0
1526.15283203125	220.0
1528.4815673828125	184.0
1529.5679931640625	212.0
1530.081787109375	148.0
1532.4727783203125	196.0
1533.0494384765625	152.0
1533.5404052734375	148.0
1534.1951904296875	160.0
1534.3812255859375	148.0
1535.7900390625	232.0
1536.0355224609375	140.0
1536.097900390625	244.0
1538.759033203125	188.0
1539.3291015625	160.0
1540.6490478515625	140.0
1540.70654296875	144.0
1544.432373046875	160.0
1545.34521484375	192.0
1545.9464111328125	100.0
1546.5528564453125	152.0
1548.2908935546875	248.0
1549.4658203125	196.0
1549.544189453125	228.0
1550.6490478515625	196.0
1550.7117919921875	164.0
1553.4561767578125	192.0
1555.268798828125	140.0
1557.5694580078125	140.0
1558.4178466796875	160.0
1559.2115478515625	208.0
1560.7916259765625	180.0
1561.2947998046875	160.0
1561.82177734375	196.0
1562.4354248046875	180.0
1563.182861328125	160.0
1565.53662109375	144.0
1565.599609375	168.0
1567.3790283203125	196.0
1569.8629150390625	216.0
1570.9986572265625	144.0
1571.6771240234375	176.0
1572.2958984375	188.0
1573.87939453125	180.0
1574.6690673828125	148.0
1578.2646484375	160.0
1578.43505859375	184.0
1579.4271240234375	172.0
1586.7998046875	244.0
1586.87109375	200.0
1588.877685546875	144.0
1591.4451904296875	180.0
1593.7286376953125	160.0
1595.8516845703125	172.0
1597.8709716796875	164.0
1598.3961181640625	188.0
1599.255615234375	156.0
1599.8048095703125	200.0
1600.4656982421875	192.0
1602.7357177734375	176.0
1603.0225830078125	176.0
1606.06005859375	192.0
1607.623779296875	164.0
1608.0308837890625	144.0
1612.8310546875	156.0
1613.038818359375	216.0
1614.2301025390625	152.0
1614.3900146484375	176.0
1615.5657958984375	228.0
1619.7364501953125	168.0
1623.5113525390625	140.0
1623.96044921875	204.0
1624.63427734375	220.0
1625.0032958984375	140.0
1627.42724609375	188.0
1630.66455078125	196.0
1632.457275390625	168.0
1633.004150390625	148.0
1633.937255859375	200.0
1634.2308349609375	148.0
1635.10400390625	152.0
1636.7462158203125	144.0
1637.2535400390625	184.0
1638.4295654296875	168.0
1638.5101318359375	144.0
1647.424560546875	156.0
1649.6629638671875	200.0
1650.5037841796875	172.0
1650.9566650390625	180.0
1651.38525390625	168.0
1653.09228515625	188.0
1653.326904296875	180.0
1654.419677734375	200.0
1656.5943603515625	212.0
1658.3402099609375	144.0
1658.4212646484375	176.0
1659.0777587890625	176.0
1659.2723388671875	188.0
1659.55615234375	212.0
1660.618408203125	192.0
1663.5882568359375	188.0
1664.67626953125	140.0
1666.016357421875	196.0
1667.852783203125	212.0
1669.649658203125	140.0
1670.1197509765625	200.0
1670.8453369140625	180.0
1671.87060546875	156.0
1672.45654296875	176.0
1673.7835693359375	180.0
1676.6754150390625	168.0
1676.7813720703125	220.0
1677.3526611328125	140.0
1678.3955078125	240.0
1678.949951171875	156.0
1683.1116943359375	196.0
1683.2586669921875	168.0
1685.1536865234375	152.0
1686.1669921875	172.0
1688.07177734375	148.0
1689.5684814453125	200.0
1689.9530029296875	276.0
1690.263916015625	156.0
1690.779541015625	180.0
1692.22021484375	144.0
1692.727783203125	168.0
1693.5140380859375	188.0
1694.27587890625	152.0
1695.24267578125	144.0
1696.219970703125	180.0
1696.6512451171875	140.0
1697.5953369140625	172.0
1698.071044921875	140.0
1699.2030029296875	200.0
1700.8863525390625	208.0
1701.2193603515625	180.0
1702.773681640625	188.0
1705.8385009765625	196.0
1705.9617919921875	224.0
1706.1015625	156.0
1707.6802978515625	160.0
1708.7908935546875	140.0
1709.8524169921875	248.0
1711.0294189453125	264.0
1711.548095703125	144.0
1712.5693359375	188.0
1712.659912109375	144.0
1713.5660400390625	184.0
1713.7061767578125	184.0
1714.8680419921875	164.0
1715.189453125	164.0
1715.3626708984375	164.0
1717.5064697265625	148.0
1719.63525390625	156.0
1720.2294921875	148.0
1722.1617431640625	148.0
1723.665283203125	188.0
1725.0537109375	176.0
1730.116455078125	188.0
1733.330078125	168.0
1733.8438720703125	224.0
1737.7825927734375	148.0
1738.4515380859375	168.0
1738.5958251953125	176.0
1740.0982666015625	180.0
1740.521728515625	180.0
1744.7174072265625	164.0
1744.8338623046875	212.0
1744.900390625	172.0
1748.61865234375	176.0
1748.9681396484375	152.0
1749.3843994140625	172.0
1750.583251953125	148.0
1751.3494873046875	144.0
1758.8621826171875	168.0
1759.8472900390625	164.0
1760.0643310546875	144.0
1760.6405029296875	180.0
1761.146728515625	164.0
1762.3792724609375	128.0
1763.5562744140625	188.0
1764.066162109375	144.0
1764.3587646484375	172.0
1766.6668701171875	180.0
1766.7626953125	116.0
1767.2860107421875	140.0
1767.42822265625	240.0
1768.7337646484375	208.0
1771.136962890625	148.0
1773.399169921875	184.0
1773.5836181640625	144.0
1775.2349853515625	148.0
1775.981689453125	148.0
1776.7781982421875	100.0
1777.877685546875	140.0
1778.003662109375	144.0
1780.2535400390625	152.0
1780.623046875	152.0
1781.4461669921875	164.0
1782.3955078125	184.0
1784.8404541015625	160.0
1785.6824951171875	180.0
1786.43115234375	204.0
1788.7115478515625	172.0
1792.43408203125	164.0
1792.5435791015625	156.0
1792.9481201171875	232.0
1793.5970458984375	148.0
1793.66455078125	188.0
1794.8953857421875	168.0
1795.3001708984375	172.0
1795.739990234375	124.0
1795.89453125	268.0
1796.963623046875	136.0
1797.282470703125	168.0
1799.65087890625	184.0
1800.1693115234375	192.0
1801.25927734375	160.0
1802.0614013671875	140.0
1803.1514892578125	188.0
1804.808349609375	204.0
1805.5947265625	200.0
1806.5081787109375	180.0
1808.3359375	260.0
1809.0977783203125	164.0
1809.580322265625	196.0
1810.1983642578125	208.0
1810.6134033203125	156.0
1811.3248291015625	164.0
1811.502685546875	148.0
1813.05322265625	164.0
1814.129638671875	188.0
1814.2144775390625	204.0
1815.732177734375	176.0
1817.479736328125	244.0
1817.6324462890625	152.0
1818.065185546875	152.0
1818.684814453125	160.0
1818.8035888671875	212.0
1819.0498046875	200.0
1819.4996337890625	204.0
1819.8052978515625	236.0
1820.7054443359375	188.0
1822.6932373046875	160.0
1826.7315673828125	144.0
1827.8035888671875	208.0
1828.8162841796875	184.0
1828.9525146484375	232.0
1829.9560546875	192.0
1830.294189453125	152.0
1830.8255615234375	156.0
1831.52392578125	156.0
1832.052001953125	168.0
1832.17138671875	184.0
1834.0205078125	240.0
1834.4892578125	236.0
1835.9158935546875	224.0
1836.6636962890625	156.0
1837.1243896484375	188.0
1837.8409423828125	152.0
1838.096923828125	156.0
1840.401611328125	176.0
1840.708984375	188.0
1841.468994140625	144.0
1842.5025634765625	148.0
1842.6478271484375	216.0
1843.0836181640625	172.0
1843.2288818359375	184.0
1843.4083251953125	196.0
1844.331298828125	144.0
1845.2459716796875	220.0
1846.06689453125	192.0
1846.6484375	272.0
1847.366943359375	172.0
1848.0684814453125	184.0
1848.7530517578125	188.0
1848.8214111328125	176.0
1849.351806640625	104.0
1849.745849609375	188.0
1851.9892578125	268.0
1853.4627685546875	220.0
1853.6083984375	164.0
1855.6998291015625	212.0
1856.30859375	140.0
1856.8746337890625	172.0
1858.7086181640625	172.0
1859.4140625	172.0
1860.2122802734375	156.0
1861.3026123046875	176.0
1861.6451416015625	168.0
1862.0670166015625	164.0
1863.4757080078125	148.0
1864.8507080078125	204.0
1866.3045654296875	224.0
1866.3980712890625	192.0
1867.1375732421875	148.0
1868.694580078125	140.0
1869.1849365234375	228.0
1870.019775390625	152.0
1872.0084228515625	172.0
1872.0859375	184.0
1872.7060546875	172.0
1872.7921142578125	160.0
1874.5323486328125	220.0
1875.8941650390625	144.0
1878.1533203125	228.0
1878.3072509765625	172.0
1884.0059814453125	148.0
1885.1793212890625	160.0
1885.434814453125	240.0
1886.2120361328125	176.0
1887.299072265625	144.0
1888.5008544921875	232.0
1889.5216064453125	148.0
1892.52490234375	176.0
1892.8656005859375	176.0
1893.122314453125	152.0
1893.208984375	180.0
1893.90185546875	152.0
1894.5341796875	152.0
1896.033203125	148.0
1896.865234375	160.0
1898.6339111328125	216.0
1899.136962890625	216.0
1899.744140625	144.0
1900.2821044921875	208.0
1900.8807373046875	168.0
1902.9552001953125	196.0
1903.0159912109375	160.0
1903.5611572265625	148.0
1905.1351318359375	220.0
1905.6998291015625	184.0
1910.06396484375	140.0
1910.324951171875	160.0
1911.038330078125	200.0
1911.4384765625	328.0
1911.88232421875	188.0
1912.900634765625	164.0
1914.554931640625	168.0
1915.1297607421875	148.0
1915.2691650390625	336.0
1916.37548828125	148.0
1916.7850341796875	276.0
1918.0836181640625	140.0
1918.68505859375	164.0
1920.5767822265625	168.0
1923.4393310546875	140.0
1923.6925048828125	180.0
1923.9420166015625	256.0
1927.5615234375	148.0
1929.134765625	188.0
1930.288818359375	196.0
1930.3763427734375	148.0
1930.53369140625	164.0
1931.8106689453125	148.0
1932.405517578125	204.0
1933.70068359375	140.0
1933.850830078125	212.0
1934.8736572265625	168.0
1935.40771484375	156.0
1936.3271484375	248.0
1936.8614501953125	200.0
1939.078125	156.0
1940.760986328125	164.0
1941.7960205078125	140.0
1942.59423828125	220.0
1942.7784423828125	296.0
1946.1416015625	228.0
1946.79833984375	156.0
1947.070556640625	228.0
1948.0015869140625	144.0
1951.5648193359375	232.0
1953.1212158203125	144.0
1954.0323486328125	160.0
1954.4986572265625	196.0
1955.427734375	200.0
1957.306640625	180.0
1958.6187744140625	176.0
1959.4732666015625	180.0
1960.830322265625	160.0
1961.191650390625	228.0
1962.1754150390625	160.0
1962.3218994140625	176.0
1962.69921875	172.0
1964.00439453125	176.0
1965.398193359375	244.0
1965.76708984375	260.0
1965.9188232421875	144.0
1966.6690673828125	188.0
1966.925048828125	152.0
1968.6875	156.0
1969.2294921875	144.0
1970.86376953125	152.0
1972.595947265625	180.0
1973.3297119140625	168.0
1974.5146484375	152.0
1974.9923095703125	236.0
1975.850341796875	176.0
1976.213134765625	172.0
1977.2130126953125	160.0
1977.6290283203125	172.0
1978.1512451171875	208.0
1978.51416015625	208.0
1980.590576171875	192.0
1980.900634765625	128.0
1981.0025634765625	200.0
1981.4981689453125	140.0
1982.7835693359375	160.0
1983.749755859375	180.0
1984.0599365234375	152.0
1985.5496826171875	156.0
1985.72705078125	148.0
1986.0108642578125	160.0
1986.21484375	152.0
1986.5697021484375	188.0
1986.6849365234375	140.0
1987.6787109375	188.0
1989.4093017578125	152.0
1991.247314453125	204.0
1991.45166015625	140.0
1994.4637451171875	140.0
1994.8548583984375	164.0
1995.663818359375	152.0
1996.4285888671875	212.0
1997.5225830078125	184.0
1997.59375	228.0
1997.6915283203125	200.0
1998.180908203125	176.0
1998.8006591796875	176.0
1999.7647705078125	160.0
2000.0941162109375	152.0
2001.6982421875	204.0
2002.2576904296875	172.0
2002.7119140625	148.0
2002.9791259765625	160.0
2003.3087158203125	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078900
PEPMASS=319.112091
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=PAZUFLOXACIN [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@H]1COc2c(c(F)cc3c(=O)c(cn1c23)C(=O)O)C4(N)CC4
INCHI=InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/t7-/m0/s1
INCHIAUX=XAGMUUZPGZWTRP-ZETCQYMHSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078900
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078900
SCANS=1034
45.389007568359375	144.0
46.10111618041992	140.0
46.77791976928711	144.0
46.81168746948242	160.0
47.61609649658203	232.0
47.8140754699707	164.0
47.860877990722656	188.0
48.056602478027344	224.0
48.1960563659668	240.0
48.47434997558594	172.0
48.55459213256836	144.0
48.661441802978516	180.0
48.67949295043945	180.0
48.89775466918945	148.0
48.96040344238281	172.0
49.27565002441406	144.0
49.52325439453125	240.0
49.650413513183594	148.0
49.72795867919922	160.0
50.285308837890625	184.0
50.942317962646484	188.0
51.13570022583008	140.0
51.21258544921875	148.0
51.30948257446289	188.0
52.218780517578125	168.0
53.589683532714844	196.0
53.71943664550781	156.0
54.379356384277344	212.0
54.69389724731445	160.0
54.879520416259766	176.0
56.15933609008789	144.0
56.64213180541992	160.0
57.54294204711914	140.0
57.64263153076172	188.0
58.63665008544922	172.0
58.787628173828125	200.0
58.83341979980469	140.0
59.45486068725586	148.0
59.954673767089844	216.0
60.26020050048828	172.0
60.71219253540039	140.0
60.943485260009766	148.0
61.20946502685547	160.0
61.846431732177734	156.0
61.8808708190918	144.0
62.492984771728516	164.0
62.811214447021484	164.0
63.00222396850586	140.0
63.711952209472656	180.0
65.51817321777344	164.0
66.07838439941406	176.0
66.22407531738281	188.0
67.42478942871094	152.0
67.56541442871094	156.0
67.58995819091797	148.0
68.2197494506836	156.0
68.68412017822266	228.0
68.92350006103516	188.0
69.25933837890625	152.0
70.05501556396484	144.0
70.14166259765625	160.0
70.57907104492188	160.0
70.69783782958984	144.0
71.09668731689453	172.0
71.41422271728516	188.0
72.09529113769531	120.0
73.991943359375	168.0
74.0416030883789	176.0
75.02445220947266	156.0
75.11930084228516	224.0
75.6203842163086	264.0
76.208251953125	232.0
76.34036254882812	156.0
76.48128509521484	152.0
76.58052825927734	160.0
77.20883178710938	188.0
77.81160736083984	196.0
78.15258026123047	164.0
78.29692840576172	144.0
78.40791320800781	152.0
78.520751953125	212.0
79.39972686767578	208.0
79.61978912353516	216.0
80.82306671142578	164.0
81.05583953857422	160.0
81.11856842041016	164.0
81.46849822998047	208.0
81.62666320800781	220.0
81.78137969970703	236.0
82.33126831054688	216.0
82.38726043701172	148.0
82.82865142822266	260.0
83.14176177978516	172.0
83.238525390625	144.0
83.37458801269531	160.0
84.25668334960938	172.0
84.67007446289062	140.0
84.69571685791016	160.0
85.10099792480469	188.0
85.1983413696289	160.0
85.63428497314453	192.0
86.135986328125	168.0
87.97441101074219	156.0
88.404296875	184.0
88.8990249633789	172.0
89.9964370727539	232.0
90.09464263916016	160.0
90.50263977050781	144.0
90.57134246826172	160.0
91.05309295654297	156.0
91.33438873291016	140.0
91.8446044921875	176.0
92.31851196289062	172.0
92.38736724853516	140.0
92.41126251220703	172.0
93.67740631103516	184.0
93.88363647460938	152.0
94.19051361083984	148.0
94.92984008789062	140.0
95.15103149414062	156.0
96.04302978515625	296.0
96.86129760742188	292.0
98.33992004394531	140.0
98.79835510253906	200.0
98.9634017944336	132.0
99.02400970458984	168.0
100.63076782226562	140.0
100.97247314453125	216.0
102.03321838378906	164.0
102.15589141845703	148.0
102.48404693603516	256.0
102.73404693603516	152.0
103.14801025390625	156.0
103.506103515625	196.0
103.59117126464844	212.0
104.92430114746094	148.0
105.2000732421875	180.0
105.27320861816406	148.0
106.53695678710938	164.0
106.58626556396484	168.0
107.56893920898438	144.0
108.02740478515625	140.0
108.3441390991211	156.0
108.8364486694336	108.0
109.82001495361328	200.0
109.94310760498047	188.0
110.98902893066406	196.0
111.38987731933594	224.0
112.2063980102539	200.0
112.51863861083984	184.0
112.81228637695312	144.0
112.84611511230469	160.0
113.7634506225586	140.0
113.85475158691406	164.0
113.9609603881836	160.0
114.00956726074219	160.0
114.04595947265625	140.0
114.27350616455078	152.0
114.73233795166016	208.0
115.04285430908203	344.0
115.05731201171875	192.0
115.7098617553711	148.0
116.01836395263672	232.0
116.04623413085938	156.0
116.54633331298828	164.0
116.90758514404297	236.0
116.99798583984375	232.0
117.21552276611328	192.0
117.41168975830078	160.0
117.4742431640625	180.0
117.83692932128906	248.0
118.0733642578125	180.0
118.10714721679688	152.0
118.67236328125	148.0
118.69187927246094	184.0
118.8927993774414	232.0
119.50640106201172	140.0
119.52598571777344	220.0
119.74803161621094	164.0
120.03514099121094	400.0
121.04654693603516	816.0
121.60426330566406	212.0
121.6415786743164	152.0
122.30540466308594	160.0
122.46393585205078	148.0
122.63359069824219	176.0
122.96883392333984	144.0
123.02239990234375	448.0
123.5389175415039	264.0
123.58611297607422	180.0
124.45645141601562	192.0
124.78528594970703	152.0
124.80974578857422	192.0
125.29271697998047	160.0
126.48295593261719	184.0
126.74273681640625	148.0
127.44279479980469	176.0
127.46076965332031	212.0
128.28675842285156	144.0
128.95489501953125	168.0
129.05331420898438	144.0
129.6179656982422	152.0
129.7879638671875	140.0
130.01707458496094	208.0
130.22030639648438	132.0
130.6123504638672	148.0
131.34579467773438	168.0
131.9532470703125	184.0
132.00811767578125	228.0
132.16824340820312	228.0
132.2643585205078	160.0
132.81887817382812	156.0
132.8876953125	200.0
133.0465850830078	356.0
134.04544067382812	288.0
134.55630493164062	184.0
135.02305603027344	160.0
135.0472869873047	320.0
135.30303955078125	240.0
135.75254821777344	160.0
135.87547302246094	144.0
136.05630493164062	148.0
136.618896484375	192.0
136.64215087890625	140.0
137.34567260742188	208.0
137.5603485107422	172.0
137.63905334472656	168.0
137.8943634033203	144.0
139.05003356933594	280.0
139.55874633789062	248.0
139.79161071777344	168.0
140.0501251220703	768.0
140.31101989746094	184.0
140.59283447265625	148.0
141.0592498779297	388.0
141.216552734375	144.0
141.6505889892578	200.0
142.06341552734375	492.0
143.0316925048828	176.0
143.0662078857422	160.0
143.20318603515625	160.0
143.7275848388672	196.0
143.74429321289062	244.0
144.04237365722656	304.0
144.29364013671875	140.0
144.35580444335938	156.0
145.05625915527344	300.0
145.1627960205078	144.0
145.5851593017578	208.0
145.64759826660156	152.0
145.71005249023438	192.0
146.0416717529297	452.0
146.05706787109375	284.0
146.47987365722656	148.0
147.02703857421875	388.0
147.0633544921875	316.0
147.40821838378906	176.0
147.44015502929688	140.0
148.03466796875	396.0
148.1267547607422	196.0
148.16363525390625	140.0
148.3938751220703	164.0
148.63156127929688	212.0
149.03952026367188	856.0
149.15286254882812	184.0
149.3701171875	208.0
150.04470825195312	304.0
150.32518005371094	196.0
150.7183074951172	256.0
150.81607055664062	168.0
151.05569458007812	168.0
151.14376831054688	160.0
152.06289672851562	320.0
153.05584716796875	604.0
153.09283447265625	240.0
153.14454650878906	240.0
153.36383056640625	180.0
154.02906799316406	192.0
154.06533813476562	692.0
154.14369201660156	164.0
155.06004333496094	196.0
155.08958435058594	228.0
155.55789184570312	200.0
156.08335876464844	132.0
156.27830505371094	168.0
156.96107482910156	144.0
157.0524139404297	220.0
158.04458618164062	240.0
158.06484985351562	176.0
158.28041076660156	164.0
158.7613067626953	216.0
158.78160095214844	196.0
158.83929443359375	156.0
158.9086151123047	164.0
158.95469665527344	164.0
159.0210723876953	148.0
159.04930114746094	348.0
159.2509307861328	164.0
159.3142547607422	212.0
159.3926544189453	156.0
160.0567169189453	760.0
160.0853271484375	228.0
160.27145385742188	160.0
161.0643310546875	724.0
161.28175354003906	156.0
162.0697784423828	364.0
162.5137176513672	160.0
162.54295349121094	188.0
163.04652404785156	308.0
163.1092987060547	192.0
163.20082092285156	260.0
163.26693725585938	160.0
163.61807250976562	144.0
163.66136169433594	248.0
164.02566528320312	180.0
164.04917907714844	636.0
164.25515747070312	180.0
165.06605529785156	196.0
165.11077880859375	144.0
165.1747283935547	148.0
166.06982421875	492.0
166.14047241210938	208.0
166.6436767578125	160.0
167.07467651367188	1376.0
167.10903930664062	144.0
167.36126708984375	160.0
167.45655822753906	140.0
168.0159149169922	144.0
168.0457305908203	2068.0
168.08029174804688	316.0
168.32046508789062	144.0
168.82925415039062	108.0
169.0522003173828	3372.0
169.08949279785156	300.0
169.80848693847656	140.0
169.92002868652344	296.0
170.0596923828125	3060.0
170.17437744140625	184.0
170.4678955078125	156.0
171.02296447753906	212.0
171.06805419921875	624.0
171.23533630371094	172.0
171.66793823242188	168.0
171.8975067138672	148.0
172.05567932128906	2416.0
172.18988037109375	164.0
172.265625	172.0
173.0338134765625	168.0
173.0613555908203	932.0
173.727783203125	132.0
174.0317840576172	340.0
174.06597900390625	364.0
174.10765075683594	148.0
174.46165466308594	220.0
174.95095825195312	224.0
175.04205322265625	748.0
175.27906799316406	208.0
175.51792907714844	144.0
176.04953002929688	1684.0
176.0833740234375	268.0
176.8435821533203	152.0
177.03164672851562	460.0
177.05429077148438	596.0
177.12954711914062	140.0
177.23907470703125	164.0
177.27261352539062	208.0
178.03396606445312	164.0
178.06234741210938	164.0
178.22157287597656	128.0
179.03553771972656	184.0
179.07247924804688	292.0
179.4735565185547	160.0
179.6453399658203	160.0
180.04319763183594	136.0
180.0777130126953	840.0
180.5939178466797	136.0
181.0546112060547	416.0
181.0870361328125	340.0
181.38279724121094	128.0
181.570068359375	140.0
181.82225036621094	168.0
181.8651885986328	168.0
182.06289672851562	452.0
182.0966796875	1160.0
182.30043029785156	132.0
182.5126190185547	200.0
183.03025817871094	164.0
183.0690155029297	264.0
183.10086059570312	316.0
183.61940002441406	140.0
183.84600830078125	156.0
184.0376739501953	388.0
184.0725860595703	296.0
184.30776977539062	144.0
184.38343811035156	168.0
184.501220703125	132.0
185.06248474121094	816.0
185.63906860351562	196.0
186.0346221923828	360.0
186.0686798095703	1284.0
186.1026153564453	332.0
186.3914794921875	140.0
187.04257202148438	1132.0
187.07518005371094	388.0
187.49440002441406	168.0
187.76451110839844	204.0
187.89169311523438	164.0
188.01856994628906	108.0
188.05125427246094	7548.0
188.08396911621094	816.0
188.34210205078125	148.0
188.42678833007812	140.0
188.7629852294922	224.0
188.90432739257812	152.0
189.05838012695312	2000.0
189.41160583496094	148.0
189.71302795410156	208.0
190.02757263183594	320.0
190.06637573242188	2508.0
190.6572265625	204.0
191.03273010253906	332.0
191.06771850585938	956.0
191.19625854492188	264.0
191.21588134765625	152.0
191.30482482910156	152.0
191.46054077148438	148.0
191.515625	140.0
191.7305145263672	192.0
192.04603576660156	588.0
192.0830841064453	904.0
192.34005737304688	180.0
192.84828186035156	140.0
193.04937744140625	152.0
193.08108520507812	368.0
193.20498657226562	152.0
193.50665283203125	156.0
194.06500244140625	144.0
194.09959411621094	252.0
194.24147033691406	128.0
194.27987670898438	180.0
194.34922790527344	180.0
194.6628875732422	140.0
195.0240478515625	156.0
195.0684356689453	812.0
195.23257446289062	156.0
195.45510864257812	164.0
195.70770263671875	128.0
195.98971557617188	192.0
196.04098510742188	968.0
196.07611083984375	1064.0
196.53343200683594	260.0
196.6590118408203	160.0
196.98291015625	208.0
197.04684448242188	9168.0
197.8078155517578	172.0
198.0552215576172	4412.0
198.29518127441406	208.0
199.05157470703125	408.0
199.0989990234375	364.0
199.12844848632812	196.0
199.89210510253906	204.0
200.05191040039062	2284.0
200.08628845214844	700.0
200.14926147460938	168.0
200.16896057128906	152.0
200.4071044921875	228.0
200.50701904296875	140.0
200.78329467773438	252.0
201.0581817626953	7200.0
201.16986083984375	180.0
202.0308380126953	704.0
202.0661163330078	2332.0
202.1017303466797	1076.0
202.54185485839844	292.0
202.83314514160156	148.0
203.03427124023438	452.0
203.06619262695312	348.0
203.10707092285156	152.0
203.40328979492188	216.0
203.90887451171875	144.0
204.04608154296875	276.0
204.07876586914062	544.0
204.6399383544922	176.0
204.6684112548828	148.0
205.05755615234375	344.0
205.0885467529297	392.0
206.0296173095703	148.0
206.06114196777344	444.0
206.097412109375	148.0
207.03909301757812	184.0
207.09030151367188	260.0
207.15762329101562	228.0
207.65757751464844	236.0
208.076416015625	260.0
208.3637237548828	156.0
208.80638122558594	184.0
209.04754638671875	2120.0
209.0823974609375	492.0
210.05563354492188	316.0
210.09117126464844	2372.0
211.05397033691406	312.0
211.0907745361328	996.0
211.33914184570312	148.0
211.45489501953125	192.0
211.8602752685547	160.0
212.05848693847656	496.0
212.08880615234375	1480.0
213.03697204589844	116.0
213.06715393066406	912.0
213.84642028808594	188.0
214.02951049804688	2188.0
214.06544494628906	1892.0
214.17999267578125	148.0
214.48275756835938	148.0
214.8488006591797	204.0
215.0369110107422	2360.0
215.07424926757812	3548.0
215.48143005371094	104.0
215.61090087890625	152.0
215.7063446044922	116.0
215.79212951660156	184.0
215.9003143310547	200.0
215.9529571533203	168.0
215.99098205566406	148.0
216.04608154296875	22316.0
216.08065795898438	2180.0
216.14089965820312	288.0
216.17822265625	160.0
216.22377014160156	128.0
216.343017578125	120.0
216.68667602539062	124.0
216.89114379882812	104.0
216.9397430419922	168.0
217.0533447265625	17796.0
217.15672302246094	140.0
217.4959259033203	132.0
217.80078125	136.0
217.8465118408203	200.0
217.88931274414062	140.0
217.98165893554688	192.0
218.0245361328125	960.0
218.0604248046875	14800.0
218.47967529296875	220.0
218.54803466796875	96.0
219.06446838378906	2572.0
219.22052001953125	168.0
219.26063537597656	224.0
219.5323486328125	128.0
220.03793334960938	216.0
220.0757598876953	1660.0
220.20057678222656	100.0
220.82949829101562	152.0
221.08163452148438	1212.0
222.05685424804688	276.0
222.08607482910156	476.0
222.21151733398438	116.0
222.69932556152344	136.0
223.0628662109375	2152.0
223.10137939453125	160.0
224.03512573242188	1260.0
224.0643768310547	260.0
224.09487915039062	348.0
224.11572265625	144.0
224.34521484375	160.0
225.05902099609375	448.0
225.0996856689453	1220.0
225.94252014160156	144.0
226.042724609375	248.0
226.06802368164062	600.0
226.17933654785156	148.0
226.20028686523438	160.0
227.04188537597656	408.0
227.07809448242188	784.0
227.30319213867188	156.0
227.43223571777344	140.0
227.5913543701172	128.0
228.04376220703125	252.0
228.08201599121094	3120.0
228.24337768554688	148.0
228.55120849609375	152.0
229.05389404296875	3788.0
229.08836364746094	1208.0
229.17770385742188	144.0
230.03524780273438	152.0
230.0597381591797	3360.0
230.09661865234375	4176.0
231.01730346679688	140.0
231.06423950195312	580.0
231.09825134277344	504.0
231.79315185546875	172.0
232.04034423828125	548.0
232.0772247314453	1964.0
232.76475524902344	128.0
233.0334014892578	196.0
233.08140563964844	188.0
234.03097534179688	140.0
234.09017944335938	144.0
234.4886932373047	176.0
235.06036376953125	144.0
235.0990753173828	140.0
235.46498107910156	164.0
235.4985809326172	148.0
235.7449493408203	108.0
235.79493713378906	176.0
236.03468322753906	176.0
236.07237243652344	500.0
236.98837280273438	148.0
237.07540893554688	720.0
237.0994873046875	456.0
237.38070678710938	144.0
237.7154083251953	112.0
237.94834899902344	208.0
238.08668518066406	4640.0
238.3568572998047	160.0
238.6427001953125	180.0
239.04641723632812	848.0
239.0817413330078	1012.0
239.33499145507812	156.0
239.9049530029297	148.0
240.05267333984375	820.0
240.08245849609375	13012.0
240.1272430419922	168.0
240.32254028320312	100.0
240.49720764160156	180.0
240.5600128173828	136.0
240.7305450439453	152.0
241.05923461914062	420.0
241.08763122558594	2248.0
241.24473571777344	168.0
241.27377319335938	172.0
241.4395294189453	176.0
241.68966674804688	292.0
241.72412109375	156.0
241.74578857421875	212.0
241.89744567871094	204.0
241.9500732421875	212.0
242.02523803710938	2400.0
242.52203369140625	180.0
242.7227783203125	120.0
242.799072265625	204.0
242.90928649902344	124.0
242.98452758789062	164.0
243.0330352783203	4956.0
243.05935668945312	2660.0
243.23143005371094	136.0
243.27069091796875	160.0
243.72412109375	168.0
243.81240844726562	132.0
244.04095458984375	3668.0
244.08468627929688	216.0
245.01803588867188	96.0
245.04183959960938	940.0
245.08303833007812	236.0
245.10691833496094	268.0
245.28953552246094	180.0
246.0554656982422	2408.0
246.1170654296875	176.0
246.54176330566406	152.0
246.94752502441406	172.0
247.02685546875	512.0
247.0603485107422	424.0
247.1977996826172	180.0
247.6372833251953	232.0
247.6849822998047	224.0
248.0606231689453	148.0
249.03982543945312	136.0
249.30198669433594	160.0
251.04232788085938	128.0
251.06805419921875	176.0
251.60130310058594	140.0
252.06192016601562	100.0
252.22044372558594	200.0
253.09881591796875	1888.0
253.19810485839844	144.0
253.8667755126953	168.0
254.0564727783203	188.0
254.0988311767578	304.0
254.8539581298828	148.0
255.0277557373047	140.0
255.06808471679688	440.0
255.11297607421875	912.0
255.1908721923828	236.0
255.54034423828125	168.0
256.0400390625	484.0
256.0769958496094	4296.0
256.1181945800781	320.0
256.9042663574219	220.0
257.0828857421875	1476.0
257.1245422363281	240.0
257.223388671875	288.0
257.29779052734375	124.0
257.3822937011719	168.0
257.6077575683594	192.0
257.7886657714844	192.0
257.89520263671875	228.0
257.9212646484375	180.0
258.0110778808594	100.0
258.0933837890625	76596.0
258.1849670410156	140.0
258.2356872558594	184.0
258.3116455078125	120.0
258.35870361328125	156.0
258.5164794921875	168.0
258.76263427734375	192.0
258.9563903808594	152.0
259.0212707519531	236.0
259.04632568359375	200.0
259.0960998535156	9324.0
259.4626770019531	180.0
259.71014404296875	116.0
259.9533996582031	168.0
260.0335998535156	1480.0
260.0966491699219	816.0
260.22100830078125	120.0
260.7093811035156	280.0
260.7755432128906	144.0
260.912353515625	132.0
261.0439758300781	1524.0
261.096435546875	232.0
261.50885009765625	148.0
262.0491638183594	992.0
262.0898132324219	140.0
262.2464294433594	148.0
263.0564880371094	416.0
264.0657653808594	696.0
264.22265625	172.0
265.0677185058594	256.0
266.0783386230469	272.0
266.7196350097656	252.0
267.0675354003906	264.0
267.835693359375	212.0
268.040771484375	148.0
269.05487060546875	120.0
269.1336364746094	164.0
269.52886962890625	144.0
269.6072998046875	236.0
269.6824645996094	156.0
269.7772521972656	180.0
270.0631103515625	116.0
270.8472900390625	224.0
270.9881591796875	152.0
271.08880615234375	1168.0
271.1487121582031	172.0
271.2821044921875	108.0
272.0806884765625	168.0
273.080322265625	5176.0
273.8021545410156	140.0
274.0486755371094	312.0
274.08392333984375	700.0
274.7195739746094	192.0
274.96044921875	208.0
275.049560546875	144.0
275.0744323730469	168.0
275.1181640625	2980.0
275.67706298828125	140.0
275.93487548828125	188.0
276.12176513671875	196.0
277.06182861328125	108.0
277.15618896484375	188.0
277.5506286621094	184.0
278.117919921875	140.0
279.5935974121094	156.0
280.2635192871094	132.0
280.3128967285156	140.0
281.04827880859375	176.0
281.0926513671875	18404.0
281.1517333984375	228.0
281.2272644042969	160.0
281.52740478515625	140.0
281.8662109375	96.0
281.9580993652344	156.0
282.01824951171875	140.0
282.052978515625	164.0
282.0953063964844	3552.0
282.5144958496094	140.0
283.05438232421875	112.0
283.09661865234375	476.0
283.1825866699219	104.0
283.7155456542969	168.0
283.76715087890625	136.0
283.9189453125	284.0
283.9722595214844	172.0
283.99981689453125	316.0
284.0728759765625	78712.0
284.16961669921875	156.0
284.2536926269531	132.0
284.33245849609375	120.0
284.4259338378906	132.0
284.5712890625	136.0
284.7142333984375	148.0
285.0118713378906	136.0
285.0755310058594	12696.0
285.18115234375	216.0
285.2466735839844	156.0
285.390869140625	108.0
285.44049072265625	144.0
286.078369140625	1584.0
286.2521057128906	260.0
286.6361999511719	136.0
286.6989440917969	104.0
286.8509521484375	168.0
286.8839416503906	112.0
286.9686584472656	116.0
287.07855224609375	168.0
287.1383361816406	116.0
287.19989013671875	136.0
287.25970458984375	100.0
287.86474609375	204.0
288.0634460449219	176.0
288.1476745605469	148.0
288.1959228515625	128.0
288.75274658203125	156.0
289.1053466796875	164.0
290.0359802246094	176.0
290.11053466796875	208.0
290.62603759765625	144.0
290.9654541015625	156.0
291.0721130371094	192.0
292.01202392578125	144.0
293.0741271972656	156.0
293.9402160644531	140.0
294.99554443359375	208.0
295.5393371582031	184.0
296.6729431152344	140.0
297.35211181640625	188.0
297.98114013671875	108.0
298.0526428222656	172.0
299.1026916503906	4012.0
299.33251953125	124.0
299.3873291015625	196.0
300.06671142578125	168.0
300.1080017089844	716.0
300.1520690917969	160.0
300.5133972167969	100.0
300.7240295410156	200.0
300.7869873046875	220.0
300.916259765625	192.0
300.9444885253906	192.0
300.98046875	172.0
301.04608154296875	256.0
301.0986633300781	35208.0
301.1711730957031	404.0
301.245361328125	124.0
301.3639831542969	224.0
301.42816162109375	292.0
301.4529724121094	188.0
301.556396484375	136.0
301.6290283203125	160.0
301.70416259765625	188.0
301.9014892578125	356.0
301.9535827636719	188.0
301.9963073730469	164.0
302.0057067871094	268.0
302.0838928222656	184276.0
302.30609130859375	300.0
302.340087890625	280.0
302.4107360839844	148.0
302.481689453125	124.0
302.55975341796875	128.0
302.6520690917969	1264.0
302.68603515625	188.0
302.771484375	148.0
302.863037109375	248.0
302.9013671875	112.0
302.9873962402344	176.0
303.08575439453125	25708.0
303.1588439941406	168.0
303.4201965332031	108.0
303.5371398925781	144.0
303.6753234863281	140.0
303.7952575683594	160.0
303.88970947265625	124.0
304.05010986328125	140.0
304.0880126953125	3100.0
304.26409912109375	124.0
304.3793029785156	116.0
304.4111633300781	160.0
304.4879150390625	100.0
304.8638610839844	224.0
304.89874267578125	196.0
305.04681396484375	96.0
305.0870056152344	552.0
305.1331787109375	196.0
305.1667175292969	196.0
305.2745666503906	168.0
305.3244934082031	120.0
305.5799255371094	112.0
305.693603515625	172.0
305.92913818359375	132.0
306.5600891113281	112.0
309.2840881347656	96.0
309.7867126464844	180.0
311.37127685546875	116.0
312.07843017578125	140.0
315.8023681640625	208.0
316.0110778808594	140.0
317.2026672363281	144.0
317.44561767578125	172.0
318.1197204589844	148.0
318.2688293457031	140.0
318.31402587890625	100.0
318.72705078125	296.0
318.89898681640625	176.0
318.98175048828125	108.0
319.0578918457031	216.0
319.1097717285156	70140.0
319.1978759765625	236.0
319.3757629394531	160.0
319.47509765625	160.0
319.5008239746094	160.0
319.5252990722656	112.0
319.6882019042969	116.0
319.78631591796875	116.0
319.9566955566406	176.0
320.0205078125	104.0
320.111572265625	7888.0
320.4710388183594	108.0
320.8012390136719	100.0
321.11279296875	1632.0
321.43707275390625	100.0
321.63665771484375	156.0
322.1267395019531	208.0
322.1548767089844	252.0
322.2182922363281	168.0
322.3830871582031	144.0
322.4169921875	224.0
323.06243896484375	152.0
326.45184326171875	148.0
337.11346435546875	140.0
342.1274108886719	148.0
390.8399658203125	140.0
478.4502258300781	140.0
483.0147705078125	156.0
514.3538818359375	148.0
563.7338256835938	140.0
724.1493530273438	180.0
1238.3233642578125	140.0
1312.933349609375	196.0
1455.4586181640625	212.0
1535.98876953125	192.0
1560.8309326171875	148.0
1583.7489013671875	148.0
1588.782470703125	144.0
1605.111083984375	172.0
1641.1053466796875	188.0
1670.3084716796875	152.0
1677.7432861328125	140.0
1679.4312744140625	200.0
1688.382568359375	152.0
1710.0582275390625	176.0
1742.5732421875	176.0
1771.991455078125	160.0
1779.7833251953125	220.0
1800.00048828125	224.0
1827.514404296875	156.0
1829.5313720703125	172.0
1846.1524658203125	168.0
1863.5960693359375	164.0
1870.61376953125	192.0
1884.4466552734375	196.0
1895.8511962890625	180.0
1897.8363037109375	164.0
1910.4033203125	168.0
1929.458251953125	160.0
1931.7232666015625	160.0
1954.701171875	156.0
1960.16064453125	188.0
1970.899169921875	148.0
1972.154052734375	184.0
1978.09814453125	168.0
1994.3748779296875	184.0
1994.9971923828125	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078901
PEPMASS=422.17572
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Topotecan Hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccc(O)c(CN(C)C)c5cc4Cn3c2=O
INCHI=InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1
INCHIAUX=UCFGDBYHRUNTLO-QHCPKHFHSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078901
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078901
SCANS=1032
45.19344711303711	164.0
46.28779602050781	164.0
46.7262077331543	148.0
47.506290435791016	196.0
54.077430725097656	156.0
54.648277282714844	140.0
55.00934600830078	140.0
58.048316955566406	156.0
58.787628173828125	176.0
66.57763671875	172.0
71.565673828125	148.0
72.55574035644531	208.0
78.3761978149414	140.0
84.19823455810547	160.0
84.25668334960938	196.0
87.4468994140625	148.0
90.5997543334961	152.0
91.61611938476562	156.0
92.91419982910156	148.0
94.61981964111328	140.0
99.12504577636719	208.0
100.59683227539062	148.0
102.30278778076172	184.0
104.70016479492188	192.0
107.16856384277344	164.0
109.782470703125	176.0
111.28277587890625	152.0
115.88334655761719	220.0
118.12661743164062	200.0
121.84800720214844	140.0
122.08319854736328	180.0
126.28829193115234	152.0
132.7202606201172	140.0
132.7729949951172	212.0
137.7354736328125	148.0
138.97390747070312	172.0
139.07949829101562	144.0
140.50082397460938	176.0
141.36087036132812	196.0
142.78424072265625	204.0
143.4938507080078	160.0
144.28646850585938	172.0
145.8662567138672	144.0
147.12132263183594	152.0
153.65142822265625	204.0
154.98004150390625	188.0
156.12686157226562	172.0
157.90504455566406	184.0
160.03553771972656	144.0
160.0833740234375	204.0
160.79177856445312	196.0
161.71932983398438	144.0
161.8383026123047	160.0
163.2542266845703	148.0
164.41079711914062	188.0
167.59307861328125	156.0
167.85084533691406	148.0
169.07272338867188	168.0
173.7866973876953	144.0
178.2092742919922	176.0
178.9326934814453	156.0
181.0715789794922	164.0
182.08802795410156	176.0
182.61256408691406	120.0
183.09243774414062	180.0
183.2554931640625	172.0
187.4390869140625	156.0
187.9407958984375	176.0
189.25823974609375	172.0
191.4027099609375	140.0
191.44638061523438	140.0
192.5968475341797	184.0
193.8085479736328	148.0
194.7267608642578	152.0
196.06861877441406	240.0
198.44654846191406	152.0
199.89028930664062	168.0
200.37176513671875	160.0
200.4112091064453	220.0
201.2404327392578	148.0
204.0879669189453	140.0
204.47483825683594	156.0
205.07862854003906	144.0
205.8803253173828	176.0
206.07742309570312	180.0
207.090087890625	180.0
207.50799560546875	124.0
208.27467346191406	184.0
209.0680389404297	156.0
209.47415161132812	140.0
211.95298767089844	140.0
215.00636291503906	152.0
216.06411743164062	164.0
216.23976135253906	140.0
217.07461547851562	172.0
217.62330627441406	184.0
218.07937622070312	272.0
219.0912628173828	788.0
220.09848022460938	836.0
220.46290588378906	164.0
221.10780334472656	284.0
221.2171173095703	144.0
222.0810089111328	176.0
222.10389709472656	120.0
223.0859832763672	168.0
224.56884765625	144.0
227.18017578125	172.0
227.90672302246094	172.0
227.98365783691406	140.0
228.35765075683594	192.0
228.6805877685547	144.0
231.66287231445312	244.0
231.90830993652344	148.0
232.0204620361328	196.0
232.0917205810547	144.0
232.2630615234375	160.0
232.73345947265625	156.0
233.8186798095703	180.0
234.09083557128906	704.0
234.37899780273438	172.0
234.9155731201172	188.0
235.10086059570312	204.0
236.05479431152344	156.0
236.0853729248047	148.0
237.11399841308594	196.0
238.71035766601562	160.0
239.5721435546875	172.0
240.6669921875	172.0
242.41156005859375	140.0
243.5905303955078	208.0
244.05360412597656	156.0
244.89382934570312	156.0
245.07139587402344	152.0
246.07749938964844	412.0
246.9350128173828	152.0
247.08502197265625	1088.0
247.12599182128906	156.0
248.0943145751953	4856.0
249.09864807128906	844.0
250.07870483398438	200.0
250.1084442138672	104.0
251.3077850341797	168.0
251.872314453125	228.0
251.9253692626953	116.0
253.9016571044922	156.0
255.32760620117188	176.0
259.2222900390625	160.0
259.744873046875	180.0
259.83148193359375	164.0
260.1024475097656	172.0
260.9909362792969	140.0
262.04986572265625	140.0
262.1105041503906	116.0
263.0793151855469	328.0
263.149658203125	148.0
264.086181640625	284.0
264.41680908203125	148.0
265.0981750488281	352.0
266.0671081542969	156.0
271.41339111328125	124.0
271.4700012207031	216.0
271.7061462402344	188.0
271.87677001953125	156.0
273.3292236328125	200.0
273.7505798339844	196.0
274.0730895996094	1912.0
274.9406433105469	204.0
275.08087158203125	1236.0
275.11505126953125	140.0
275.2608642578125	164.0
275.5680236816406	208.0
276.0198059082031	140.0
276.089599609375	6416.0
276.3679504394531	120.0
276.78521728515625	220.0
277.0945129394531	2208.0
277.1341552734375	856.0
277.1860046386719	176.0
278.0628356933594	168.0
278.0979309082031	248.0
278.13555908203125	360.0
278.86285400390625	212.0
279.0751953125	148.0
279.1050720214844	188.0
279.52691650390625	108.0
280.0841369628906	276.0
280.84539794921875	104.0
280.86492919921875	184.0
281.0933532714844	348.0
281.6173095703125	168.0
282.36932373046875	148.0
282.4094543457031	160.0
282.93817138671875	152.0
284.3829040527344	148.0
285.56219482421875	152.0
285.8582458496094	188.0
287.11480712890625	164.0
288.0916442871094	252.0
289.2157897949219	228.0
289.9919128417969	144.0
290.10662841796875	368.0
290.41571044921875	144.0
291.07818603515625	100.0
291.1146545410156	492.0
292.08441162109375	1484.0
292.11993408203125	1132.0
292.2263488769531	164.0
292.8424987792969	164.0
293.0898132324219	492.0
293.1217346191406	384.0
294.00164794921875	140.0
294.5174255371094	156.0
294.85540771484375	172.0
295.1152038574219	164.0
295.7994384765625	208.0
296.43988037109375	160.0
297.2388610839844	152.0
297.4619445800781	96.0
298.7127380371094	152.0
298.95703125	168.0
299.6076354980469	100.0
300.03857421875	148.0
301.0956115722656	264.0
302.0682373046875	3708.0
302.67822265625	232.0
303.0760192871094	848.0
303.1124267578125	760.0
303.150634765625	280.0
303.22210693359375	188.0
303.6520080566406	152.0
303.7803649902344	164.0
304.083740234375	3592.0
305.0539855957031	120.0
305.09027099609375	1240.0
305.1283874511719	13668.0
305.5138244628906	196.0
305.5625305175781	160.0
306.0643310546875	132.0
306.0958557128906	896.0
306.1316223144531	2244.0
306.267578125	96.0
307.066162109375	156.0
307.13507080078125	392.0
307.1894226074219	200.0
308.7796325683594	128.0
308.9395446777344	180.0
309.1669921875	220.0
309.4154968261719	144.0
309.6396179199219	168.0
310.091552734375	148.0
310.2002258300781	180.0
310.7332763671875	204.0
312.61309814453125	180.0
312.9474792480469	180.0
314.4244689941406	156.0
314.8057556152344	228.0
315.11090087890625	348.0
315.54632568359375	140.0
315.60784912109375	152.0
316.08526611328125	144.0
317.0903625488281	152.0
317.4278869628906	140.0
318.0960998535156	124.0
319.0611267089844	308.0
319.10931396484375	392.0
319.5625915527344	376.0
319.6302185058594	192.0
319.7939147949219	168.0
319.9825744628906	148.0
320.0800476074219	12908.0
320.1148681640625	10064.0
320.201416015625	164.0
320.475830078125	172.0
320.514892578125	96.0
320.8589782714844	148.0
321.01971435546875	104.0
321.0837097167969	3124.0
321.1197509765625	2712.0
321.29150390625	160.0
321.37969970703125	160.0
321.710205078125	100.0
322.0867919921875	360.0
322.123779296875	680.0
322.3702697753906	108.0
322.46331787109375	152.0
322.64483642578125	120.0
323.0923767089844	152.0
323.13677978515625	148.0
323.3137512207031	136.0
324.41607666015625	200.0
324.7567138671875	144.0
327.4559326171875	156.0
330.96600341796875	192.0
331.1072082519531	1492.0
332.11279296875	428.0
332.5138854980469	168.0
333.1225891113281	8624.0
333.3363342285156	220.0
334.12811279296875	1988.0
334.775146484375	168.0
335.0628967285156	140.0
335.1285400390625	420.0
336.21588134765625	156.0
336.54730224609375	276.0
337.06231689453125	184.0
337.2267761230469	140.0
338.1630859375	196.0
338.2106628417969	164.0
339.1409912109375	176.0
340.39935302734375	152.0
340.7262268066406	164.0
341.09295654296875	588.0
342.1104736328125	188.0
342.9635925292969	160.0
343.4834899902344	152.0
344.7646484375	244.0
346.1148376464844	176.0
346.8520812988281	224.0
347.0411376953125	240.0
347.111328125	160.0
347.2636413574219	184.0
347.28961181640625	152.0
347.5492858886719	184.0
347.6319580078125	144.0
347.6940002441406	216.0
347.82763671875	160.0
347.9389953613281	164.0
348.0747985839844	26944.0
348.20111083984375	148.0
348.2620544433594	140.0
348.3534851074219	120.0
348.53656005859375	124.0
348.9187316894531	156.0
349.0777282714844	6520.0
349.1185302734375	8804.0
349.185546875	144.0
349.63262939453125	124.0
349.6981506347656	96.0
350.02020263671875	124.0
350.0835266113281	940.0
350.12164306640625	1992.0
350.60223388671875	140.0
351.1239929199219	260.0
351.3255615234375	168.0
351.3822021484375	176.0
351.4263000488281	140.0
351.4554138183594	100.0
352.1003112792969	184.0
353.9305725097656	160.0
354.4512023925781	196.0
355.9930419921875	148.0
356.2671203613281	140.0
356.8985290527344	196.0
359.09625244140625	260.0
359.4032897949219	148.0
359.8335876464844	192.0
360.10211181640625	144.0
361.6162414550781	128.0
362.5342712402344	168.0
362.8223571777344	144.0
363.0926208496094	228.0
363.303955078125	180.0
365.16900634765625	188.0
365.22607421875	148.0
365.96527099609375	148.0
366.0252685546875	156.0
366.4747009277344	220.0
368.17218017578125	160.0
369.2231140136719	184.0
370.04998779296875	148.0
370.2525939941406	192.0
371.60955810546875	148.0
372.17376708984375	184.0
372.6192932128906	208.0
373.0343322753906	184.0
373.27655029296875	204.0
373.6881103515625	152.0
374.0190734863281	184.0
374.0638122558594	100.0
374.3715515136719	116.0
374.7052307128906	172.0
375.0810852050781	144.0
375.4271240234375	204.0
375.57464599609375	152.0
375.89215087890625	176.0
375.96649169921875	128.0
376.0001220703125	280.0
376.070068359375	132.0
376.1565856933594	280.0
376.2767639160156	108.0
376.3359680175781	160.0
376.3811950683594	112.0
376.43853759765625	204.0
376.4957580566406	104.0
376.54351806640625	236.0
376.6758117675781	152.0
376.7843322753906	260.0
376.9056091308594	236.0
377.011962890625	248.0
377.1147766113281	171484.0
377.30841064453125	108.0
377.3573303222656	248.0
377.4140319824219	272.0
377.457275390625	144.0
377.49432373046875	176.0
377.5723571777344	160.0
377.6357421875	268.0
377.6767272949219	144.0
377.7518310546875	780.0
377.80804443359375	296.0
377.8441162109375	184.0
377.8817443847656	232.0
377.93292236328125	188.0
378.00848388671875	148.0
378.0519104003906	292.0
378.1174621582031	44164.0
378.2964172363281	216.0
378.8265686035156	160.0
379.00958251953125	140.0
379.119873046875	5996.0
379.23291015625	216.0
379.35150146484375	120.0
379.65838623046875	124.0
379.81658935546875	132.0
379.8886413574219	204.0
379.97833251953125	96.0
380.03228759765625	168.0
380.0679931640625	208.0
380.12158203125	600.0
380.21136474609375	192.0
380.32366943359375	204.0
380.4639587402344	128.0
380.53955078125	240.0
380.6138916015625	288.0
380.7159118652344	264.0
380.77392578125	136.0
380.8631286621094	160.0
381.0502624511719	124.0
381.11492919921875	140.0
381.2845153808594	116.0
381.390380859375	240.0
381.41961669921875	112.0
381.4534606933594	100.0
381.6656494140625	160.0
381.8229064941406	112.0
384.7901611328125	104.0
385.7923889160156	144.0
386.08172607421875	148.0
386.35943603515625	148.0
386.480712890625	168.0
390.1320495605469	140.0
391.1311950683594	148.0
392.2395935058594	196.0
393.10968017578125	140.0
393.6158752441406	140.0
395.1112365722656	244.0
395.13665771484375	252.0
399.33349609375	148.0
402.8052062988281	160.0
414.7562255859375	148.0
415.4820861816406	144.0
417.40728759765625	144.0
418.14129638671875	452.0
418.42852783203125	276.0
418.9646301269531	120.0
419.14129638671875	200.0
419.2220458984375	108.0
419.2667236328125	108.0
419.6311340332031	112.0
420.056884765625	152.0
420.1561279296875	356.0
420.6360168457031	96.0
420.74420166015625	144.0
420.9769287109375	144.0
421.02593994140625	216.0
421.13421630859375	140.0
421.1751708984375	236.0
421.216796875	316.0
421.2730407714844	112.0
421.5352478027344	108.0
421.5891418457031	116.0
421.6225280761719	140.0
421.7098693847656	136.0
421.8763427734375	244.0
421.9117431640625	140.0
421.9896545410156	244.0
422.0426330566406	104.0
422.0838623046875	108.0
422.1726989746094	134708.0
422.2734375	224.0
422.38763427734375	112.0
422.4590148925781	188.0
422.497314453125	196.0
422.5494079589844	216.0
422.6072082519531	204.0
422.6544189453125	176.0
422.7313232421875	180.0
422.8461608886719	812.0
423.0604553222656	168.0
423.1749267578125	38572.0
423.2966613769531	148.0
423.336181640625	120.0
423.4414978027344	108.0
423.5863037109375	144.0
423.80078125	204.0
424.047119140625	148.0
424.1764831542969	3808.0
424.4593811035156	116.0
424.7542419433594	104.0
425.175048828125	592.0
425.385009765625	204.0
425.4749755859375	136.0
425.50665283203125	188.0
425.6095275878906	160.0
425.72723388671875	108.0
425.7982482910156	176.0
425.98431396484375	116.0
426.1846618652344	112.0
426.2254638671875	128.0
426.2926330566406	132.0
426.58966064453125	160.0
426.7060852050781	116.0
426.8572998046875	104.0
426.9583740234375	104.0
432.0417785644531	164.0
437.9695129394531	144.0
504.20318603515625	196.0
669.7667236328125	140.0
681.6132202148438	124.0
757.0133666992188	140.0
803.4345092773438	148.0
1940.314208984375	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078902
PEPMASS=393.22467
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=NAFTOPIDIL [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccccc1N2CCN(CC(O)COc3cccc4ccccc34)CC2
INCHI=InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
INCHIAUX=HRRBJVNMSRJFHQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078902
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078902
SCANS=1241
45.188079833984375	188.0
45.23625946044922	144.0
45.261695861816406	204.0
45.27910614013672	252.0
45.297855377197266	200.0
45.434593200683594	196.0
45.60884475708008	168.0
45.78541946411133	168.0
45.80292892456055	148.0
45.86221694946289	156.0
45.92963409423828	168.0
46.28642654418945	248.0
46.57394027709961	160.0
46.655574798583984	160.0
46.69654846191406	152.0
46.811378479003906	212.0
46.85008239746094	172.0
46.927764892578125	208.0
47.117916107177734	124.0
47.13523864746094	248.0
47.19264602661133	144.0
47.362342834472656	152.0
47.4459342956543	156.0
47.48569869995117	172.0
47.576263427734375	196.0
47.78791427612305	216.0
47.9710807800293	160.0
48.489322662353516	116.0
48.6780891418457	184.0
48.73781967163086	156.0
48.76978302001953	148.0
48.99382019042969	180.0
49.00496292114258	156.0
49.4322395324707	264.0
49.533042907714844	144.0
49.647972106933594	148.0
49.75601577758789	140.0
49.86698913574219	160.0
50.09916687011719	204.0
50.159759521484375	232.0
50.286705017089844	148.0
50.45113754272461	176.0
50.68975830078125	192.0
50.77702713012695	136.0
50.9082145690918	184.0
50.92525863647461	184.0
50.953670501708984	172.0
51.07872009277344	116.0
51.144222259521484	156.0
51.47069549560547	272.0
51.52497100830078	184.0
51.62502670288086	140.0
52.06642150878906	156.0
52.23640823364258	192.0
52.40070343017578	256.0
52.49959945678711	144.0
52.69013214111328	148.0
52.701690673828125	144.0
52.734825134277344	172.0
52.836151123046875	152.0
52.93312454223633	172.0
52.943260192871094	200.0
53.54014205932617	192.0
53.70337677001953	212.0
53.94576644897461	148.0
53.95892333984375	152.0
54.02766036987305	148.0
54.32862091064453	184.0
54.5335578918457	148.0
54.54678726196289	184.0
54.595306396484375	248.0
54.63648986816406	172.0
54.67180633544922	164.0
54.74246597290039	176.0
54.95177459716797	144.0
54.97095489501953	176.0
55.12748718261719	144.0
55.22062683105469	148.0
55.490135192871094	184.0
55.87385177612305	208.0
55.92092514038086	176.0
56.02401351928711	156.0
56.062408447265625	160.0
56.13508987426758	260.0
56.16379165649414	176.0
56.29662322998047	212.0
56.48194885253906	140.0
56.7275276184082	152.0
56.817508697509766	144.0
57.2127571105957	172.0
57.31065368652344	156.0
57.61565017700195	156.0
58.09583282470703	212.0
58.17574691772461	244.0
58.39607620239258	156.0
58.52238082885742	180.0
58.612247467041016	172.0
58.81355667114258	148.0
58.912811279296875	140.0
59.00909423828125	168.0
59.05038070678711	140.0
59.11616516113281	180.0
59.13610076904297	148.0
59.22639846801758	196.0
59.44103240966797	160.0
59.45177459716797	216.0
59.556175231933594	180.0
59.61438751220703	164.0
59.67296600341797	156.0
59.97315216064453	200.0
60.15516662597656	188.0
60.21150207519531	148.0
60.275634765625	148.0
60.496559143066406	152.0
60.58662414550781	160.0
60.825435638427734	164.0
60.83940887451172	148.0
60.86808776855469	144.0
60.890647888183594	188.0
61.16741180419922	144.0
61.26924133300781	164.0
61.387088775634766	152.0
61.4151611328125	156.0
61.732200622558594	160.0
62.00126647949219	192.0
62.039085388183594	140.0
62.05789566040039	152.0
62.3907356262207	172.0
62.4158935546875	168.0
62.472511291503906	200.0
62.59929275512695	152.0
62.631500244140625	160.0
62.674034118652344	152.0
62.991146087646484	160.0
63.04170227050781	156.0
63.159488677978516	160.0
63.201568603515625	164.0
63.36449432373047	164.0
63.39301300048828	148.0
63.62776184082031	140.0
63.9488639831543	144.0
64.09059143066406	160.0
64.2197265625	152.0
64.2851333618164	176.0
64.35800170898438	160.0
64.80000305175781	176.0
64.95230102539062	140.0
65.1391830444336	208.0
65.25421142578125	160.0
65.65999603271484	148.0
65.8165283203125	148.0
65.9150619506836	164.0
65.99102783203125	164.0
66.02013397216797	152.0
66.12853240966797	204.0
66.42852020263672	200.0
66.5682373046875	212.0
66.68809509277344	192.0
66.8979263305664	180.0
67.01519012451172	140.0
67.394775390625	108.0
67.41986846923828	140.0
67.56866455078125	156.0
67.64067077636719	148.0
67.83106231689453	156.0
68.10963439941406	164.0
68.14906311035156	172.0
68.1737060546875	204.0
68.27398681640625	192.0
68.3282699584961	160.0
68.55722045898438	176.0
68.69234466552734	224.0
68.74844360351562	152.0
68.83428192138672	168.0
69.10535430908203	184.0
69.14176177978516	176.0
69.54782104492188	156.0
69.86681365966797	168.0
70.07553100585938	212.0
70.25336456298828	168.0
70.4035873413086	168.0
70.51050567626953	140.0
70.54727935791016	180.0
70.74635314941406	184.0
70.91218566894531	236.0
70.97085571289062	144.0
71.51683807373047	144.0
71.66492462158203	128.0
71.82118225097656	140.0
71.88821411132812	200.0
71.98126220703125	172.0
72.09635162353516	144.0
72.21874237060547	188.0
72.27568054199219	128.0
72.29487609863281	180.0
72.37950897216797	152.0
72.48348999023438	176.0
72.50411987304688	96.0
72.67274475097656	164.0
73.04369354248047	148.0
73.38990020751953	144.0
73.41439056396484	176.0
73.60134887695312	192.0
73.96453094482422	148.0
74.11009979248047	148.0
74.1412582397461	176.0
74.25923919677734	144.0
74.46786499023438	144.0
74.623291015625	168.0
74.70067596435547	144.0
74.84562683105469	144.0
75.00029754638672	188.0
75.10375213623047	240.0
75.14860534667969	140.0
75.17794036865234	212.0
75.33678436279297	180.0
75.6982650756836	140.0
75.7623519897461	164.0
75.91661071777344	144.0
76.10742950439453	116.0
76.26731872558594	160.0
76.409912109375	184.0
76.676513671875	116.0
76.69898986816406	160.0
76.79837799072266	152.0
76.99504089355469	172.0
77.02354431152344	176.0
77.09517669677734	148.0
77.17034149169922	140.0
77.25253295898438	172.0
77.29452514648438	140.0
78.0470199584961	224.0
79.03124237060547	220.0
79.21182250976562	188.0
79.28147888183594	140.0
79.56294250488281	160.0
79.6446304321289	164.0
79.69807434082031	144.0
79.72457885742188	156.0
79.98321533203125	124.0
80.2300796508789	188.0
80.4234848022461	208.0
80.47450256347656	168.0
80.85882568359375	172.0
81.03073120117188	172.0
81.07842254638672	152.0
81.41818237304688	184.0
81.5906753540039	144.0
81.6751937866211	168.0
81.75615692138672	176.0
81.82816314697266	168.0
82.09844207763672	168.0
82.37458801269531	144.0
82.7181625366211	152.0
82.83043670654297	208.0
82.96453094482422	248.0
82.9844741821289	144.0
83.00985717773438	184.0
83.04744720458984	160.0
83.1257095336914	148.0
83.24939727783203	208.0
83.4601821899414	184.0
83.57659149169922	144.0
84.06697845458984	200.0
84.15072631835938	148.0
84.31632995605469	140.0
84.34254455566406	192.0
84.39556121826172	144.0
84.92989349365234	168.0
85.11750030517578	164.0
85.69136810302734	140.0
85.9429931640625	160.0
86.2874984741211	176.0
86.42798614501953	96.0
86.5732650756836	132.0
86.81892395019531	184.0
87.09635925292969	108.0
87.14004516601562	240.0
87.53437042236328	244.0
87.776611328125	188.0
87.91983795166016	108.0
88.23593139648438	192.0
88.39678192138672	192.0
88.41362762451172	144.0
88.86954498291016	144.0
88.94591522216797	172.0
89.07897186279297	128.0
89.18822479248047	192.0
89.42709350585938	164.0
89.49964141845703	164.0
89.97752380371094	296.0
90.12862396240234	132.0
90.20421600341797	172.0
90.22501373291016	152.0
90.26850128173828	144.0
90.39713287353516	160.0
90.43687438964844	188.0
90.55805206298828	204.0
90.72669982910156	140.0
90.75324249267578	164.0
90.8215103149414	176.0
90.92485046386719	188.0
91.05704498291016	256.0
91.37699890136719	176.0
91.54667663574219	136.0
91.65228271484375	164.0
91.75139617919922	148.0
91.77657318115234	156.0
91.8028793334961	220.0
92.04776000976562	328.0
92.08341217041016	148.0
92.20378112792969	140.0
92.22919464111328	240.0
92.35099792480469	224.0
92.38159942626953	212.0
92.43325805664062	156.0
92.70709228515625	168.0
92.87772369384766	152.0
92.91905975341797	140.0
92.94770812988281	184.0
93.06588745117188	172.0
93.09844207763672	156.0
93.33047485351562	208.0
93.36941528320312	228.0
93.39826202392578	160.0
93.46675872802734	192.0
93.54835510253906	140.0
93.56182861328125	172.0
93.66967010498047	172.0
93.82769012451172	180.0
93.89131927490234	144.0
94.06535339355469	560.0
94.1537857055664	212.0
94.20594024658203	236.0
94.48432159423828	164.0
94.75342559814453	184.0
95.0537338256836	176.0
95.09276580810547	160.0
95.3682632446289	176.0
95.44827270507812	140.0
95.57665252685547	168.0
95.62141418457031	140.0
96.08112335205078	544.0
96.222900390625	204.0
96.76726531982422	160.0
96.86714172363281	176.0
96.94779968261719	120.0
97.07809448242188	240.0
97.31427764892578	212.0
97.51661682128906	180.0
97.56182098388672	148.0
97.61595153808594	136.0
97.82833862304688	148.0
97.86283874511719	176.0
97.8904037475586	152.0
97.93963623046875	164.0
98.08527374267578	304.0
98.1842269897461	200.0
98.23531341552734	200.0
98.95838928222656	196.0
99.0536880493164	156.0
99.10643005371094	116.0
99.41883087158203	144.0
99.45621490478516	160.0
99.48797607421875	152.0
99.76211547851562	156.0
99.90132141113281	228.0
100.07591247558594	2384.0
100.14356994628906	160.0
100.24043273925781	100.0
100.53492736816406	208.0
100.56486511230469	192.0
100.76055908203125	148.0
101.00044250488281	212.0
101.077392578125	488.0
101.16252136230469	156.0
101.41090393066406	220.0
101.69169616699219	148.0
101.7628402709961	172.0
101.86903381347656	164.0
101.90455627441406	148.0
102.04927062988281	160.0
102.093505859375	152.0
102.26049041748047	192.0
102.3067855834961	152.0
102.36114501953125	144.0
102.38787078857422	172.0
102.55656433105469	188.0
102.67753601074219	140.0
102.6962661743164	168.0
102.7905044555664	188.0
102.83756256103516	280.0
102.8631591796875	184.0
102.91363525390625	216.0
103.05501556396484	148.0
103.19649505615234	140.0
103.25312042236328	140.0
103.26808166503906	120.0
103.5749282836914	144.0
104.06857299804688	172.0
104.21192932128906	144.0
104.24850463867188	140.0
104.36843872070312	208.0
104.3867416381836	160.0
104.91513061523438	208.0
104.94873046875	148.0
104.98543548583984	172.0
105.07722473144531	232.0
105.09868621826172	116.0
105.13844299316406	196.0
105.17517852783203	140.0
105.1915054321289	204.0
105.22648620605469	152.0
105.32218933105469	160.0
105.38756561279297	176.0
105.538818359375	156.0
105.5981216430664	148.0
106.06645202636719	856.0
106.08955383300781	184.0
106.19207763671875	224.0
106.44449615478516	140.0
106.45886993408203	184.0
107.04637145996094	276.0
107.07351684570312	176.0
107.16901397705078	136.0
107.38802337646484	252.0
107.59751892089844	164.0
107.88468170166016	212.0
108.00599670410156	264.0
108.05426025390625	144.0
108.0853500366211	300.0
108.13703155517578	140.0
108.2053451538086	156.0
108.60254669189453	136.0
108.68204498291016	148.0
108.72147369384766	152.0
108.90625	188.0
108.95610809326172	268.0
109.0142822265625	168.0
109.08292388916016	156.0
109.11820983886719	152.0
109.392822265625	188.0
109.97855377197266	160.0
110.0975570678711	216.0
110.36711883544922	156.0
110.85064697265625	160.0
110.93411254882812	204.0
111.01726531982422	124.0
111.0416030883789	136.0
111.09111785888672	172.0
111.19037628173828	156.0
111.21320343017578	140.0
111.33158874511719	184.0
111.35203552246094	168.0
111.74512481689453	152.0
111.82508850097656	152.0
111.8566665649414	212.0
111.92613983154297	168.0
112.07450103759766	280.0
112.10308074951172	232.0
112.19646453857422	156.0
112.4601821899414	272.0
112.54466247558594	176.0
112.60517883300781	172.0
112.71925354003906	152.0
112.90528869628906	212.0
113.04784393310547	176.0
113.10548400878906	148.0
113.14937591552734	124.0
113.20155334472656	204.0
113.35713958740234	164.0
113.7803955078125	176.0
113.903564453125	160.0
113.93118286132812	176.0
113.9604721069336	132.0
114.09133911132812	14608.0
114.23517608642578	140.0
114.37162017822266	128.0
114.51614379882812	252.0
114.75324249267578	136.0
114.91121673583984	216.0
115.05459594726562	648.0
115.09518432617188	1384.0
115.20511627197266	228.0
115.40387725830078	152.0
115.59424591064453	144.0
115.80706787109375	136.0
116.05197143554688	104.0
116.08479309082031	184.0
116.14055633544922	148.0
116.7033462524414	116.0
116.75910949707031	156.0
116.79351806640625	144.0
117.03923797607422	112.0
117.05776977539062	312.0
117.35128021240234	236.0
117.43753814697266	176.0
117.53893280029297	144.0
117.55403137207031	152.0
117.57111358642578	140.0
117.849853515625	236.0
117.95697021484375	156.0
118.0431900024414	184.0
118.0644760131836	4360.0
118.1602783203125	132.0
118.1806640625	140.0
118.36248016357422	144.0
118.50789642333984	176.0
118.61812591552734	216.0
118.63764190673828	180.0
118.91730499267578	172.0
118.94567108154297	148.0
119.04981231689453	212.0
119.07238006591797	1456.0
119.17361450195312	176.0
119.36933135986328	148.0
119.41934967041016	164.0
119.48841094970703	96.0
119.64129638671875	148.0
119.7469711303711	136.0
119.826416015625	176.0
119.8800048828125	168.0
119.93755340576172	208.0
119.95281219482422	168.0
120.00077056884766	148.0
120.0245361328125	160.0
120.04449462890625	6984.0
120.07284545898438	152.0
120.11853790283203	192.0
120.14035034179688	168.0
120.16870880126953	156.0
120.28986358642578	132.0
120.46998596191406	160.0
120.51465606689453	164.0
120.55738067626953	184.0
120.5770492553711	140.0
120.8505630493164	152.0
120.98741912841797	144.0
121.05290985107422	5264.0
121.10258483886719	176.0
121.14595031738281	168.0
121.21631622314453	172.0
121.40677642822266	164.0
121.70520782470703	212.0
121.76889038085938	264.0
121.92047882080078	152.0
121.97337341308594	212.0
122.05815124511719	420.0
122.37361145019531	176.0
122.47050476074219	164.0
122.69483184814453	120.0
122.90824890136719	164.0
122.9798355102539	140.0
123.06944274902344	396.0
123.25146484375	192.0
123.29344940185547	248.0
123.4747314453125	152.0
123.77439880371094	144.0
124.07624053955078	172.0
124.8886947631836	100.0
125.38180541992188	204.0
125.41300201416016	188.0
125.43975067138672	192.0
125.49325561523438	180.0
125.6694564819336	140.0
126.05127716064453	152.0
126.08646392822266	264.0
126.19879913330078	152.0
126.37326049804688	156.0
126.50977325439453	180.0
126.59262084960938	148.0
126.65084838867188	160.0
126.73149871826172	180.0
126.76286315917969	148.0
126.816650390625	184.0
126.9236068725586	192.0
127.05472564697266	196.0
127.08599090576172	228.0
127.23418426513672	176.0
127.30797576904297	220.0
127.51690673828125	144.0
127.67877960205078	148.0
127.80025482177734	148.0
127.82221221923828	116.0
127.92178344726562	120.0
128.06317138671875	900.0
128.1114044189453	252.0
128.2281036376953	184.0
128.273193359375	148.0
128.70635986328125	160.0
128.78314208984375	144.0
128.94581604003906	168.0
129.0701141357422	2888.0
129.09664916992188	244.0
129.50918579101562	160.0
129.7788543701172	248.0
129.83392333984375	140.0
129.910400390625	168.0
130.06900024414062	604.0
130.11463928222656	188.0
130.39561462402344	144.0
130.423583984375	144.0
130.46832275390625	204.0
130.52146911621094	144.0
130.55685424804688	116.0
130.63385009765625	144.0
130.67599487304688	140.0
130.73651123046875	168.0
131.06222534179688	1000.0
131.21205139160156	212.0
131.4141387939453	136.0
131.5648193359375	144.0
131.6812744140625	172.0
131.7786407470703	148.0
131.9623565673828	180.0
131.98202514648438	172.0
132.04246520996094	212.0
132.08065795898438	1084.0
132.12930297851562	152.0
132.25140380859375	180.0
132.5116424560547	144.0
132.7592010498047	156.0
132.88076782226562	156.0
133.05567932128906	456.0
133.08660888671875	288.0
133.14244079589844	140.0
133.19192504882812	140.0
133.2159423828125	192.0
133.24810791015625	164.0
133.37771606445312	180.0
133.41587829589844	228.0
133.44346618652344	168.0
133.55740356445312	168.0
133.6343536376953	172.0
133.66891479492188	380.0
133.88526916503906	140.0
134.06053161621094	15836.0
134.0952911376953	980.0
134.12020874023438	156.0
134.38003540039062	96.0
134.57366943359375	156.0
134.7626495361328	180.0
134.79185485839844	324.0
134.93284606933594	148.0
135.01072692871094	152.0
135.0669403076172	3404.0
135.1002655029297	196.0
135.6226806640625	152.0
135.68597412109375	132.0
135.76904296875	156.0
135.82545471191406	124.0
136.00869750976562	104.0
136.07594299316406	42548.0
136.1775360107422	100.0
136.20050048828125	148.0
136.226318359375	124.0
136.25294494628906	152.0
136.3654022216797	208.0
136.5048828125	164.0
136.77708435058594	152.0
136.818115234375	160.0
137.07968139648438	5228.0
137.1671142578125	144.0
137.38528442382812	188.0
137.48095703125	152.0
137.69580078125	144.0
137.7390594482422	196.0
137.92469787597656	144.0
137.99156188964844	120.0
138.0392608642578	124.0
138.0834503173828	272.0
138.11854553222656	120.0
138.15151977539062	272.0
138.17959594726562	212.0
138.76490783691406	136.0
138.8166961669922	168.0
139.05316162109375	172.0
139.19271850585938	148.0
139.60337829589844	152.0
139.80332946777344	200.0
140.02227783203125	160.0
140.06466674804688	160.0
140.41436767578125	184.0
140.58335876464844	180.0
140.7452392578125	152.0
140.7769317626953	148.0
140.8223876953125	208.0
141.00767517089844	180.0
141.07130432128906	2296.0
141.6046600341797	256.0
141.7313995361328	152.0
141.81173706054688	188.0
142.07461547851562	384.0
142.42469787597656	124.0
142.5559844970703	140.0
142.6890869140625	376.0
142.72950744628906	156.0
142.81512451171875	188.0
142.91265869140625	216.0
143.04974365234375	900.0
143.0865936279297	144.0
143.24595642089844	144.0
143.63211059570312	308.0
143.67784118652344	164.0
143.9017791748047	160.0
143.92803955078125	164.0
143.97341918945312	140.0
143.99948120117188	184.0
144.05917358398438	472.0
144.07846069335938	692.0
144.21470642089844	168.0
144.65333557128906	128.0
144.7458038330078	172.0
145.0642547607422	1132.0
145.11241149902344	148.0
145.1661376953125	156.0
145.25511169433594	228.0
145.52598571777344	104.0
145.66590881347656	168.0
145.72682189941406	184.0
145.95997619628906	156.0
146.0275421142578	124.0
146.06048583984375	560.0
146.0826873779297	1832.0
146.33779907226562	164.0
146.7075958251953	144.0
146.8291473388672	124.0
147.06602478027344	768.0
147.17921447753906	144.0
147.2244873046875	176.0
147.37376403808594	124.0
147.6824188232422	140.0
147.80282592773438	140.0
147.89891052246094	200.0
147.9443817138672	264.0
147.99472045898438	100.0
148.07542419433594	9572.0
148.30458068847656	172.0
148.42291259765625	168.0
148.4495849609375	156.0
148.48422241210938	132.0
148.78199768066406	168.0
148.80271911621094	120.0
148.86212158203125	168.0
148.9809112548828	164.0
149.0833740234375	10456.0
149.12876892089844	148.0
149.28305053710938	124.0
149.3700714111328	180.0
149.53067016601562	228.0
149.6913299560547	228.0
149.81126403808594	192.0
149.85350036621094	132.0
149.89035034179688	304.0
149.91046142578125	172.0
149.99588012695312	272.0
150.0382843017578	180.0
150.0918731689453	48072.0
150.1470489501953	156.0
150.24636840820312	176.0
150.3436737060547	100.0
150.41055297851562	192.0
150.46351623535156	172.0
150.51217651367188	128.0
150.53750610351562	188.0
150.72634887695312	176.0
150.8843231201172	220.0
150.90597534179688	160.0
150.94314575195312	248.0
150.98046875	152.0
151.0523681640625	176.0
151.09461975097656	4108.0
151.15350341796875	140.0
151.23681640625	100.0
151.29742431640625	124.0
151.37136840820312	244.0
151.5142059326172	176.0
151.93508911132812	256.0
152.06092834472656	272.0
152.09457397460938	704.0
152.13417053222656	168.0
152.58590698242188	148.0
152.92291259765625	192.0
153.0707550048828	1860.0
153.3117218017578	128.0
153.44305419921875	128.0
153.49937438964844	148.0
154.0764617919922	652.0
154.1634063720703	160.0
154.2919464111328	172.0
154.71572875976562	172.0
154.73974609375	232.0
154.77818298339844	152.0
155.0068359375	144.0
155.060791015625	304.0
155.0859832763672	11912.0
155.1832275390625	140.0
155.36676025390625	152.0
155.43374633789062	176.0
155.45962524414062	148.0
156.03729248046875	240.0
156.08877563476562	1780.0
156.4776611328125	140.0
156.51002502441406	144.0
156.6918487548828	148.0
157.02586364746094	156.0
157.06532287597656	12648.0
157.14122009277344	148.0
157.20176696777344	132.0
157.3414306640625	136.0
157.45640563964844	180.0
157.47511291503906	152.0
157.6175079345703	232.0
158.03781127929688	168.0
158.0690460205078	832.0
158.10513305664062	268.0
158.17771911621094	144.0
158.39556884765625	164.0
158.50079345703125	236.0
159.0693359375	524.0
159.0907440185547	644.0
159.24996948242188	96.0
159.5825958251953	160.0
159.6494903564453	140.0
159.7442626953125	140.0
159.9922332763672	176.0
160.04507446289062	176.0
160.07293701171875	556.0
160.19415283203125	168.0
160.27980041503906	144.0
160.35540771484375	140.0
160.48876953125	124.0
160.55458068847656	168.0
160.65293884277344	140.0
160.93812561035156	168.0
161.06036376953125	180.0
161.08250427246094	552.0
161.17808532714844	168.0
161.30294799804688	188.0
161.75851440429688	96.0
161.8534393310547	148.0
161.88034057617188	148.0
161.93609619140625	188.0
162.0302276611328	184.0
162.09149169921875	32076.0
162.22515869140625	112.0
162.38308715820312	144.0
162.43380737304688	176.0
162.45156860351562	140.0
162.4968719482422	136.0
162.5657501220703	144.0
162.59112548828125	152.0
162.6656036376953	116.0
162.8221435546875	228.0
163.09591674804688	4248.0
163.1703338623047	156.0
163.20077514648438	176.0
163.27960205078125	168.0
163.40353393554688	172.0
163.54710388183594	176.0
163.6017608642578	164.0
163.75807189941406	148.0
163.8701629638672	148.0
163.96327209472656	156.0
164.10581970214844	3608.0
164.29190063476562	160.0
164.4350128173828	156.0
164.48475646972656	148.0
164.5680389404297	96.0
164.8905487060547	188.0
164.9821014404297	156.0
165.02940368652344	144.0
165.07064819335938	3652.0
165.10816955566406	488.0
165.18746948242188	148.0
165.47059631347656	188.0
165.52529907226562	120.0
165.6968994140625	140.0
165.9790802001953	172.0
166.07211303710938	1136.0
166.1506805419922	160.0
166.4613037109375	212.0
166.54600524902344	180.0
166.6461944580078	256.0
167.07850646972656	160.0
167.1177520751953	292.0
167.6291046142578	144.0
167.66807556152344	164.0
167.7373504638672	184.0
167.8714141845703	168.0
168.0560302734375	800.0
168.09326171875	172.0
168.1913299560547	192.0
168.23263549804688	176.0
168.3798065185547	140.0
168.53738403320312	172.0
168.63816833496094	156.0
168.67694091796875	140.0
168.80104064941406	144.0
169.06231689453125	444.0
169.09336853027344	144.0
169.41184997558594	180.0
170.0110321044922	172.0
170.064208984375	308.0
170.19769287109375	156.0
170.26780700683594	144.0
170.4600372314453	160.0
170.48342895507812	184.0
170.5120086669922	140.0
170.75120544433594	156.0
170.7965545654297	164.0
170.99710083007812	140.0
171.08287048339844	700.0
171.26541137695312	156.0
171.38116455078125	184.0
171.4309539794922	216.0
171.4942626953125	180.0
171.55838012695312	176.0
171.66677856445312	168.0
171.776123046875	184.0
172.0777587890625	252.0
172.0858612060547	128.0
172.0969696044922	284.0
172.12765502929688	168.0
172.16738891601562	128.0
172.2133331298828	140.0
172.2330780029297	140.0
172.32305908203125	212.0
172.3936004638672	184.0
172.6773223876953	144.0
172.8224334716797	356.0
172.903564453125	156.0
173.0841827392578	260.0
173.1067352294922	572.0
173.22299194335938	216.0
173.3215789794922	136.0
173.482421875	144.0
174.01976013183594	156.0
174.0904541015625	2408.0
174.11444091796875	860.0
174.3538360595703	168.0
174.50955200195312	216.0
174.7813262939453	120.0
175.08700561523438	3400.0
175.12193298339844	1656.0
175.24851989746094	172.0
175.32101440429688	128.0
175.3433837890625	160.0
175.5616455078125	156.0
175.6168975830078	188.0
175.73892211914062	140.0
175.89566040039062	164.0
176.06553649902344	164.0
176.10455322265625	1784.0
176.277587890625	200.0
176.475830078125	168.0
176.5403289794922	176.0
176.7516632080078	208.0
176.79930114746094	180.0
177.01560974121094	160.0
177.10227966308594	5872.0
177.19041442871094	140.0
177.37115478515625	160.0
177.4342498779297	300.0
177.4978790283203	100.0
177.58273315429688	248.0
177.64109802246094	164.0
178.0604705810547	192.0
178.109619140625	3352.0
178.48033142089844	140.0
178.4989471435547	140.0
178.72503662109375	140.0
178.99502563476562	112.0
179.08531188964844	112.0
179.109375	444.0
179.16966247558594	160.0
179.51617431640625	148.0
179.91372680664062	156.0
180.10598754882812	104.0
180.23617553710938	120.0
180.5416259765625	176.0
181.062744140625	472.0
181.0817108154297	196.0
181.16258239746094	156.0
181.18310546875	176.0
181.2108154296875	148.0
181.2295684814453	152.0
181.4976043701172	148.0
181.52978515625	152.0
181.61375427246094	128.0
181.8209991455078	108.0
182.0812225341797	308.0
182.1298828125	176.0
182.54051208496094	132.0
182.70703125	184.0
182.80575561523438	140.0
183.03994750976562	224.0
183.08087158203125	21708.0
183.15171813964844	120.0
183.1898956298828	172.0
183.27362060546875	112.0
183.63450622558594	156.0
183.86000061035156	196.0
184.03550720214844	128.0
184.08407592773438	2608.0
184.48046875	196.0
184.5699005126953	184.0
184.658447265625	124.0
184.7565155029297	152.0
184.9838409423828	180.0
185.09169006347656	1332.0
185.16795349121094	176.0
185.3332061767578	184.0
185.6730194091797	188.0
185.88851928710938	100.0
186.09144592285156	164.0
186.27731323242188	140.0
186.33164978027344	184.0
186.47837829589844	168.0
186.79379272460938	192.0
186.82437133789062	132.0
186.98805236816406	140.0
187.089111328125	180.0
187.23892211914062	128.0
187.29443359375	104.0
187.68133544921875	176.0
187.79342651367188	240.0
188.005615234375	124.0
188.10360717773438	1272.0
188.3884735107422	172.0
188.52783203125	220.0
188.55242919921875	276.0
188.608154296875	112.0
188.7136993408203	184.0
188.73831176757812	248.0
188.80393981933594	228.0
189.051513671875	96.0
189.1017608642578	7140.0
189.26019287109375	132.0
189.38047790527344	232.0
189.50624084472656	204.0
189.78973388671875	152.0
189.874755859375	228.0
189.89926147460938	196.0
189.94969177246094	148.0
189.97349548339844	180.0
189.99708557128906	196.0
190.05819702148438	224.0
190.11077880859375	112208.0
190.26734924316406	104.0
190.31906127929688	144.0
190.3778839111328	144.0
190.41868591308594	168.0
190.56332397460938	188.0
190.71029663085938	188.0
190.8000030517578	116.0
191.00772094726562	112.0
191.11599731445312	22604.0
191.1712188720703	156.0
191.2648468017578	128.0
191.4373321533203	108.0
191.59298706054688	144.0
191.69871520996094	108.0
191.84971618652344	140.0
191.95155334472656	196.0
192.04562377929688	96.0
192.12338256835938	5608.0
192.1771697998047	204.0
192.22061157226562	164.0
192.32958984375	156.0
192.34979248046875	208.0
192.4592742919922	136.0
192.49636840820312	120.0
192.60606384277344	244.0
192.63153076171875	132.0
192.8028106689453	168.0
192.89146423339844	124.0
192.97396850585938	148.0
193.07789611816406	108.0
193.13262939453125	5568.0
193.46145629882812	132.0
193.5773468017578	100.0
193.65460205078125	108.0
193.78355407714844	288.0
194.01080322265625	152.0
194.13555908203125	452.0
194.33145141601562	104.0
194.63816833496094	132.0
194.6656036376953	144.0
194.79058837890625	244.0
195.03610229492188	172.0
195.09703063964844	160.0
195.40496826171875	152.0
195.6678009033203	132.0
196.67848205566406	184.0
196.73431396484375	168.0
196.8627471923828	168.0
197.0797119140625	148.0
197.10098266601562	300.0
197.18080139160156	132.0
197.27346801757812	140.0
197.69020080566406	144.0
197.82586669921875	112.0
197.93560791015625	180.0
198.10372924804688	196.0
198.1466064453125	176.0
198.19984436035156	192.0
198.32034301757812	200.0
198.35958862304688	164.0
198.4717254638672	140.0
198.56427001953125	144.0
198.6736602783203	204.0
198.81114196777344	212.0
198.99920654296875	152.0
199.0750274658203	140.0
199.1009979248047	96.0
199.2800750732422	164.0
199.4394073486328	120.0
199.5217742919922	180.0
199.81289672851562	140.0
200.0955352783203	168.0
200.13137817382812	400.0
200.28057861328125	104.0
200.64329528808594	184.0
200.84246826171875	228.0
201.09661865234375	520.0
201.21742248535156	160.0
201.27578735351562	176.0
201.55819702148438	228.0
201.7602081298828	160.0
201.83937072753906	212.0
201.97512817382812	148.0
202.09695434570312	312.0
202.1914825439453	136.0
202.27223205566406	168.0
202.75372314453125	168.0
202.7751007080078	104.0
203.0340118408203	132.0
203.11766052246094	9044.0
203.18051147460938	188.0
203.5859375	136.0
203.63722229003906	156.0
203.99671936035156	172.0
204.1238555908203	2360.0
204.18173217773438	164.0
204.22654724121094	180.0
204.25440979003906	108.0
204.31396484375	148.0
204.43734741210938	160.0
204.5316925048828	196.0
204.61424255371094	144.0
204.65797424316406	100.0
204.794677734375	244.0
204.8601837158203	224.0
204.96173095703125	172.0
205.01266479492188	160.0
205.0526885986328	152.0
205.13414001464844	96612.0
205.28561401367188	112.0
205.32931518554688	212.0
205.39784240722656	148.0
205.43922424316406	132.0
205.4720916748047	164.0
205.5591278076172	160.0
205.59246826171875	124.0
205.67543029785156	184.0
205.69456481933594	228.0
205.75405883789062	120.0
205.81924438476562	144.0
205.927978515625	136.0
205.99630737304688	152.0
206.0791473388672	172.0
206.13909912109375	17184.0
206.26805114746094	148.0
206.4323272705078	128.0
206.4746856689453	168.0
206.53802490234375	164.0
206.6365509033203	136.0
207.09288024902344	176.0
207.14401245117188	1416.0
207.35360717773438	160.0
207.38778686523438	236.0
207.4625244140625	184.0
207.51126098632812	152.0
207.5428009033203	144.0
207.61500549316406	104.0
207.7798309326172	236.0
207.8419189453125	164.0
207.89959716796875	104.0
207.96298217773438	152.0
208.10574340820312	316.0
208.2152099609375	200.0
208.3004608154297	128.0
208.34725952148438	124.0
208.3712921142578	272.0
208.46189880371094	104.0
208.5303192138672	156.0
208.623291015625	104.0
208.95590209960938	168.0
209.0951385498047	156.0
209.1593475341797	184.0
209.45791625976562	144.0
209.62966918945312	168.0
210.48062133789062	160.0
211.02536010742188	172.0
211.24783325195312	156.0
211.8479461669922	120.0
211.87179565429688	248.0
212.1065216064453	152.0
212.35006713867188	196.0
212.3790740966797	152.0
212.93846130371094	148.0
212.9799041748047	176.0
213.10987854003906	168.0
213.13677978515625	144.0
213.2800750732422	312.0
213.3954620361328	216.0
213.9794158935547	112.0
214.11959838867188	108.0
214.42593383789062	164.0
214.63226318359375	144.0
214.72930908203125	140.0
214.8253936767578	164.0
214.8603973388672	216.0
215.11810302734375	300.0
216.05670166015625	156.0
216.1248779296875	2228.0
216.77847290039062	200.0
216.92501831054688	160.0
216.9624481201172	156.0
217.06021118164062	176.0
217.13343811035156	1900.0
218.0596923828125	188.0
218.11814880371094	164.0
218.14334106445312	816.0
218.3343505859375	180.0
218.3549346923828	164.0
219.04849243164062	228.0
219.07110595703125	128.0
219.1133575439453	1104.0
219.1491241455078	1836.0
219.41387939453125	136.0
219.62730407714844	140.0
219.98422241210938	176.0
220.1195831298828	504.0
220.15342712402344	436.0
220.48056030273438	140.0
221.02603149414062	132.0
221.05130004882812	144.0
221.10031127929688	100.0
221.1317596435547	164.0
221.63462829589844	168.0
221.95919799804688	108.0
222.02389526367188	164.0
222.15345764160156	140.0
222.17825317382812	180.0
222.50662231445312	148.0
222.76351928710938	100.0
223.02052307128906	144.0
223.09780883789062	148.0
223.1632080078125	160.0
223.34548950195312	176.0
223.78504943847656	164.0
224.05905151367188	152.0
224.1016845703125	156.0
224.3451385498047	192.0
224.45545959472656	176.0
224.93536376953125	140.0
224.98135375976562	120.0
225.54721069335938	136.0
225.89498901367188	184.0
226.12042236328125	996.0
226.14633178710938	152.0
226.3755340576172	108.0
226.54458618164062	168.0
227.10716247558594	132.0
227.13278198242188	152.0
227.40216064453125	156.0
228.2219696044922	136.0
228.3485565185547	152.0
228.4568328857422	152.0
228.84507751464844	156.0
228.93540954589844	144.0
229.13119506835938	140.0
229.17579650878906	132.0
229.22157287597656	188.0
229.5019073486328	164.0
229.54110717773438	204.0
230.0630645751953	168.0
230.11581420898438	220.0
230.29478454589844	148.0
230.39524841308594	168.0
230.4993133544922	136.0
230.67884826660156	156.0
230.7017822265625	120.0
230.82679748535156	128.0
230.9060821533203	180.0
230.96041870117188	108.0
231.0629119873047	128.0
231.1498565673828	7324.0
231.25059509277344	184.0
231.29034423828125	144.0
231.41143798828125	124.0
231.47198486328125	164.0
231.57192993164062	152.0
231.60067749023438	196.0
231.7401885986328	172.0
231.9402313232422	144.0
232.11282348632812	132.0
232.15225219726562	1108.0
232.61801147460938	260.0
232.68408203125	236.0
232.87307739257812	172.0
233.03941345214844	100.0
233.0774383544922	176.0
233.10487365722656	172.0
233.16554260253906	24876.0
233.21856689453125	168.0
233.25592041015625	224.0
233.500244140625	136.0
233.6845245361328	200.0
233.8011474609375	152.0
233.8825225830078	148.0
233.9281768798828	156.0
234.13763427734375	132.0
234.16827392578125	3648.0
234.22781372070312	268.0
234.45042419433594	188.0
234.49166870117188	192.0
234.573974609375	148.0
234.76193237304688	200.0
235.02975463867188	124.0
235.07786560058594	220.0
235.10772705078125	320.0
235.144287109375	57840.0
235.25082397460938	148.0
235.57470703125	144.0
235.61341857910156	144.0
235.80299377441406	164.0
236.10610961914062	128.0
236.14793395996094	7920.0
236.21434020996094	124.0
236.25205993652344	116.0
236.67945861816406	136.0
236.71861267089844	164.0
236.76904296875	160.0
236.8737335205078	132.0
237.1483917236328	820.0
237.2623291015625	96.0
237.3750762939453	160.0
237.4358367919922	152.0
237.52149963378906	112.0
237.71192932128906	168.0
237.74261474609375	176.0
237.88380432128906	140.0
238.03732299804688	184.0
238.08645629882812	148.0
238.60516357421875	172.0
238.65185546875	176.0
238.81411743164062	120.0
239.0209503173828	220.0
239.14378356933594	180.0
239.2764129638672	128.0
239.53201293945312	212.0
239.6275177001953	144.0
239.99737548828125	148.0
240.12728881835938	172.0
240.25027465820312	164.0
240.3088836669922	160.0
240.41848754882812	124.0
240.5712127685547	148.0
240.9994354248047	140.0
241.11260986328125	144.0
241.1972198486328	104.0
241.68382263183594	152.0
241.9854278564453	124.0
243.10435485839844	104.0
243.39480590820312	196.0
243.45069885253906	152.0
243.49417114257812	160.0
243.67083740234375	156.0
243.76133728027344	140.0
244.13262939453125	12572.0
244.2257537841797	240.0
244.43504333496094	152.0
244.48590087890625	152.0
245.00277709960938	168.0
245.13748168945312	2296.0
245.24179077148438	108.0
245.28945922851562	144.0
245.48899841308594	148.0
245.58567810058594	160.0
245.6730194091797	160.0
245.76348876953125	140.0
246.01414489746094	116.0
246.14007568359375	380.0
246.36917114257812	152.0
246.62425231933594	140.0
246.728759765625	128.0
247.0319061279297	164.0
247.1405029296875	248.0
247.48316955566406	124.0
248.02139282226562	152.0
248.1487274169922	240.0
248.27024841308594	140.0
248.39453125	196.0
248.6943359375	168.0
248.8590087890625	160.0
248.94801330566406	196.0
248.99716186523438	180.0
249.0276336669922	120.0
249.1064453125	208.0
249.16038513183594	22756.0
249.26849365234375	96.0
249.29409790039062	116.0
249.39303588867188	176.0
249.53065490722656	108.0
249.60028076171875	148.0
249.9370880126953	160.0
250.00564575195312	244.0
250.16281127929688	3396.0
250.27073669433594	164.0
250.3166046142578	120.0
250.45968627929688	160.0
250.71173095703125	196.0
250.96435546875	116.0
251.16128540039062	672.0
251.52320861816406	140.0
251.5865478515625	148.0
251.7369842529297	140.0
251.94070434570312	128.0
251.96408081054688	120.0
252.1002655029297	160.0
252.1654510498047	224.0
253.1346893310547	172.0
253.2328643798828	172.0
253.27700805664062	132.0
253.34519958496094	172.0
253.76113891601562	96.0
254.3870391845703	144.0
254.48861694335938	160.0
254.7808074951172	160.0
254.83799743652344	192.0
255.36846923828125	188.0
255.40704345703125	244.0
255.47372436523438	108.0
255.6020965576172	140.0
255.8052215576172	176.0
256.1358642578125	280.0
256.6841125488281	140.0
257.1913757324219	172.0
257.2871398925781	148.0
257.767333984375	136.0
258.14898681640625	140.0
258.2841491699219	176.0
258.3193359375	140.0
258.4493408203125	136.0
258.5165100097656	128.0
259.1036376953125	152.0
259.3536071777344	144.0
259.4908447265625	132.0
259.5299072265625	168.0
260.32891845703125	144.0
260.82366943359375	160.0
260.942626953125	180.0
261.07196044921875	144.0
261.4578857421875	148.0
262.014404296875	156.0
262.9698181152344	164.0
263.0624084472656	144.0
263.2225341796875	116.0
263.3834533691406	172.0
263.6373291015625	180.0
263.6728820800781	200.0
263.8028869628906	160.0
264.14422607421875	996.0
264.3868408203125	208.0
264.4231872558594	204.0
264.47174072265625	144.0
264.6230163574219	148.0
264.65301513671875	164.0
264.7113037109375	340.0
264.7404479980469	156.0
265.0514221191406	164.0
265.14801025390625	724.0
266.1600341796875	108.0
266.3653564453125	180.0
266.59930419921875	168.0
266.6448059082031	180.0
266.7417907714844	152.0
266.8138122558594	140.0
267.588134765625	140.0
267.6304626464844	172.0
267.78204345703125	124.0
268.1744689941406	212.0
268.2950744628906	160.0
268.5787658691406	148.0
268.6407470703125	172.0
268.9272766113281	164.0
269.0013427734375	116.0
269.135009765625	168.0
269.2380676269531	168.0
269.6235656738281	156.0
269.7412109375	156.0
269.9635314941406	260.0
270.1454772949219	256.0
270.3724670410156	160.0
270.7582702636719	128.0
270.7915344238281	116.0
271.5923156738281	284.0
272.2673645019531	168.0
273.0462341308594	152.0
273.11163330078125	96.0
273.17779541015625	192.0
273.6253662109375	164.0
273.9612731933594	180.0
274.1093444824219	140.0
274.28302001953125	120.0
274.5083923339844	164.0
275.2376403808594	144.0
275.4126892089844	300.0
275.534912109375	184.0
275.66375732421875	192.0
275.7166442871094	252.0
276.4905090332031	192.0
276.7074279785156	96.0
276.8102111816406	132.0
277.19586181640625	148.0
277.2216491699219	160.0
277.3417053222656	172.0
277.9854431152344	152.0
278.396728515625	152.0
279.4258117675781	120.0
279.7466125488281	148.0
279.78656005859375	140.0
279.8255615234375	156.0
280.23028564453125	136.0
280.4361267089844	164.0
280.51611328125	160.0
280.5561218261719	152.0
281.0885009765625	116.0
281.1268005371094	108.0
281.5303955078125	156.0
281.6339416503906	168.0
281.840087890625	164.0
282.1485290527344	148.0
282.406005859375	144.0
283.43377685546875	164.0
283.5041198730469	152.0
283.53094482421875	180.0
283.6662902832031	116.0
285.434326171875	184.0
285.542724609375	152.0
285.99951171875	152.0
286.81304931640625	160.0
286.8700866699219	160.0
287.3002014160156	200.0
287.8280334472656	176.0
287.9449157714844	160.0
288.1020812988281	128.0
288.2561950683594	112.0
288.987548828125	172.0
289.1925048828125	148.0
289.537841796875	140.0
289.8217468261719	180.0
290.42919921875	232.0
290.5544738769531	116.0
291.07977294921875	140.0
291.2879638671875	196.0
291.3426208496094	196.0
291.4136657714844	152.0
292.054443359375	120.0
292.9118957519531	112.0
293.0381774902344	136.0
293.1037902832031	132.0
294.2746276855469	160.0
294.6124572753906	156.0
294.747314453125	124.0
294.8236999511719	140.0
295.5802917480469	212.0
295.64190673828125	168.0
295.6898193359375	176.0
296.0173645019531	112.0
296.5734558105469	188.0
296.9505920410156	208.0
297.5785827636719	212.0
297.81207275390625	156.0
297.8670349121094	184.0
298.3962707519531	160.0
298.5931396484375	156.0
299.0010986328125	184.0
299.10491943359375	228.0
299.1896667480469	196.0
300.1020812988281	120.0
300.18328857421875	192.0
300.3091735839844	128.0
300.5282287597656	236.0
300.5765075683594	144.0
300.7599182128906	140.0
301.1661071777344	112.0
301.2532043457031	156.0
301.3050231933594	156.0
301.477783203125	164.0
301.65911865234375	164.0
302.1797180175781	184.0
302.4565734863281	148.0
302.7277526855469	172.0
302.9517517089844	172.0
303.1908264160156	184.0
303.4085693359375	132.0
303.5936279296875	168.0
303.9571838378906	160.0
304.10296630859375	180.0
304.27069091796875	204.0
304.3980407714844	152.0
304.5647277832031	148.0
304.6585388183594	188.0
304.75579833984375	200.0
304.956787109375	168.0
305.1199035644531	152.0
305.3154602050781	172.0
305.3919677734375	156.0
305.5067443847656	160.0
305.5624084472656	156.0
306.0949401855469	164.0
306.41888427734375	156.0
306.5303649902344	172.0
306.64300537109375	188.0
306.7080993652344	168.0
306.94866943359375	188.0
307.6953430175781	172.0
308.1353759765625	164.0
308.23333740234375	128.0
308.6994323730469	160.0
309.2058410644531	124.0
309.5848083496094	168.0
309.87420654296875	208.0
310.3255310058594	124.0
311.1437683105469	184.0
312.0208740234375	200.0
312.2225036621094	160.0
312.4264221191406	136.0
312.49334716796875	144.0
312.67987060546875	208.0
313.2491455078125	128.0
313.3518981933594	108.0
314.05120849609375	136.0
314.13470458984375	120.0
314.2585144042969	172.0
314.6114501953125	240.0
314.9151306152344	212.0
315.0776062011719	144.0
315.22247314453125	140.0
315.2561950683594	144.0
315.87652587890625	144.0
316.07818603515625	152.0
316.5331115722656	192.0
316.77899169921875	164.0
316.82171630859375	160.0
316.9244689941406	180.0
317.033447265625	132.0
317.5164489746094	152.0
317.6741638183594	180.0
317.93505859375	140.0
318.0876770019531	240.0
318.53155517578125	140.0
318.6310119628906	148.0
319.0029602050781	224.0
319.52691650390625	144.0
319.7119445800781	192.0
320.1249084472656	152.0
320.7368469238281	136.0
320.9052429199219	140.0
320.93731689453125	180.0
321.030029296875	208.0
321.4580993652344	156.0
321.5018005371094	296.0
321.95074462890625	140.0
322.23187255859375	160.0
322.5903015136719	212.0
322.6864013671875	164.0
322.8006286621094	140.0
322.84771728515625	168.0
323.3251037597656	144.0
323.4165954589844	180.0
323.51324462890625	140.0
323.5393371582031	164.0
323.6815185546875	152.0
324.5522155761719	184.0
324.7709655761719	140.0
324.9186096191406	128.0
325.0794982910156	176.0
325.4411315917969	124.0
325.66827392578125	276.0
326.0520324707031	188.0
326.310546875	196.0
326.43017578125	148.0
326.9410095214844	160.0
327.3270568847656	124.0
327.41259765625	152.0
327.4632568359375	124.0
327.7187805175781	144.0
327.9378662109375	96.0
328.737548828125	120.0
329.2265625	152.0
329.2771301269531	164.0
330.025146484375	164.0
330.2348937988281	164.0
330.9903259277344	160.0
331.1723327636719	176.0
331.6433410644531	144.0
332.4557189941406	188.0
332.61541748046875	160.0
332.75335693359375	164.0
332.9530944824219	184.0
333.4544372558594	160.0
333.7135314941406	116.0
333.9707336425781	216.0
334.09771728515625	176.0
334.892333984375	156.0
334.975341796875	152.0
335.2194519042969	184.0
335.315673828125	112.0
335.4454345703125	148.0
335.5899963378906	152.0
335.930419921875	164.0
335.99609375	160.0
336.1201477050781	140.0
336.6252746582031	160.0
338.4217529296875	180.0
338.4888000488281	160.0
338.6206359863281	152.0
338.8758239746094	204.0
339.0728454589844	220.0
339.1361999511719	156.0
339.73333740234375	168.0
340.0284729003906	140.0
340.15325927734375	140.0
340.2340087890625	160.0
340.6636657714844	168.0
340.72247314453125	164.0
340.81866455078125	128.0
340.975830078125	168.0
341.0786437988281	172.0
341.3456115722656	116.0
341.407470703125	176.0
341.494384765625	164.0
341.5627136230469	108.0
342.337158203125	148.0
342.4918518066406	220.0
342.6097106933594	144.0
342.8897705078125	196.0
343.5313415527344	160.0
343.685302734375	136.0
344.1882629394531	140.0
344.3470764160156	152.0
344.4562072753906	124.0
345.2001647949219	152.0
345.38031005859375	144.0
345.4448547363281	144.0
346.0499267578125	144.0
346.298828125	112.0
346.3665466308594	160.0
347.43798828125	120.0
347.49774169921875	144.0
348.1000061035156	112.0
348.47369384765625	168.0
348.8814697265625	176.0
349.2171630859375	156.0
349.3287353515625	140.0
349.400390625	168.0
349.6710510253906	160.0
349.7082824707031	176.0
350.1662292480469	156.0
350.3082580566406	152.0
350.5611267089844	160.0
351.8143310546875	196.0
351.9432373046875	204.0
352.0383605957031	148.0
352.0644836425781	196.0
352.423095703125	180.0
352.4642028808594	144.0
353.6272277832031	140.0
353.818115234375	176.0
354.10272216796875	156.0
354.1701354980469	160.0
354.3911437988281	148.0
354.6572265625	196.0
355.0583801269531	164.0
355.1671447753906	152.0
355.8726806640625	168.0
356.1226806640625	160.0
356.8608093261719	164.0
357.4121398925781	124.0
357.5526428222656	112.0
358.0348205566406	188.0
359.2234802246094	140.0
359.27490234375	140.0
359.6151123046875	124.0
359.9955139160156	156.0
360.80816650390625	144.0
361.572265625	256.0
361.8899230957031	148.0
362.1212158203125	148.0
362.6545104980469	228.0
362.7502136230469	168.0
363.1293640136719	156.0
363.23004150390625	192.0
363.3867492675781	108.0
363.75921630859375	152.0
364.1085510253906	156.0
364.1755065917969	332.0
364.2850036621094	104.0
364.4504089355469	204.0
364.97210693359375	200.0
365.17913818359375	112.0
365.5873718261719	164.0
365.75103759765625	160.0
365.85382080078125	148.0
365.9438781738281	148.0
366.0071105957031	136.0
366.50506591796875	144.0
366.8043518066406	112.0
366.91400146484375	152.0
367.10736083984375	184.0
367.9009704589844	168.0
368.126220703125	144.0
368.7298278808594	184.0
368.8521423339844	252.0
369.0990295410156	172.0
369.2475280761719	108.0
369.35943603515625	200.0
369.6170349121094	204.0
370.0335388183594	188.0
370.0740661621094	196.0
370.3175964355469	216.0
370.3482360839844	172.0
371.5403747558594	156.0
371.8233642578125	128.0
372.1045227050781	152.0
372.2888488769531	184.0
372.5387878417969	104.0
372.8036193847656	188.0
372.85357666015625	184.0
373.1866455078125	136.0
373.4418029785156	328.0
373.6949462890625	148.0
374.1955261230469	120.0
374.4669494628906	144.0
374.5021057128906	156.0
374.6631164550781	100.0
374.742919921875	176.0
374.85467529296875	120.0
375.1426696777344	204.0
375.20611572265625	1776.0
375.5100402832031	152.0
375.7620849609375	132.0
376.2109069824219	464.0
376.3082275390625	128.0
377.01568603515625	176.0
377.12005615234375	160.0
377.21026611328125	340.0
377.2725524902344	168.0
377.40997314453125	168.0
377.68841552734375	140.0
377.7777099609375	148.0
378.0133972167969	152.0
378.272216796875	160.0
379.0875549316406	164.0
379.1402893066406	164.0
379.2745666503906	300.0
379.7444152832031	156.0
380.1873779296875	176.0
380.38800048828125	104.0
380.46356201171875	104.0
380.5173034667969	96.0
380.6065979003906	156.0
380.9375915527344	160.0
381.0810546875	104.0
381.412109375	152.0
381.9979553222656	160.0
382.1556091308594	152.0
382.4648742675781	176.0
382.49603271484375	164.0
382.71405029296875	208.0
382.9827575683594	212.0
383.36456298828125	144.0
383.3996276855469	156.0
383.7448425292969	108.0
384.1950378417969	284.0
384.46728515625	268.0
384.67633056640625	120.0
384.7781677246094	248.0
385.26080322265625	144.0
385.30377197265625	156.0
385.4481201171875	144.0
385.513916015625	112.0
385.8743591308594	152.0
386.4938659667969	244.0
386.5705871582031	180.0
386.78765869140625	120.0
386.89849853515625	124.0
386.9425354003906	148.0
387.024658203125	144.0
387.49383544921875	340.0
387.7885437011719	172.0
387.8292236328125	128.0
388.0360107421875	128.0
388.0849609375	208.0
388.3052978515625	164.0
388.5564880371094	316.0
388.91375732421875	128.0
388.9757080078125	120.0
389.1115417480469	112.0
389.15234375	128.0
389.2498779296875	252.0
389.28729248046875	212.0
389.40106201171875	188.0
389.49346923828125	188.0
389.6031799316406	128.0
389.6909484863281	144.0
389.85955810546875	188.0
389.9024963378906	140.0
389.9941711425781	96.0
390.2265319824219	128.0
390.2592468261719	344.0
390.3028869628906	224.0
390.3504333496094	256.0
390.4109802246094	168.0
390.4699401855469	104.0
390.5180969238281	96.0
390.61871337890625	188.0
390.7245178222656	264.0
390.7711486816406	128.0
390.8470458984375	140.0
390.97540283203125	184.0
391.0095520019531	268.0
391.0528259277344	136.0
391.12469482421875	220.0
391.1998596191406	1364.0
391.2709045410156	124.0
391.3177795410156	288.0
391.35357666015625	220.0
391.4046936035156	164.0
391.4479064941406	228.0
391.4818420410156	292.0
391.5344543457031	180.0
391.5951232910156	100.0
391.63079833984375	236.0
391.7077331542969	220.0
391.7575378417969	172.0
391.7940673828125	212.0
391.8273010253906	476.0
391.8379821777344	304.0
391.85345458984375	316.0
391.90850830078125	260.0
391.9835205078125	464.0
392.0204772949219	384.0
392.0666198730469	548.0
392.10858154296875	288.0
392.1622619628906	392.0
392.2008056640625	888.0
392.2563171386719	532.0
392.3265380859375	392.0
392.3544006347656	428.0
392.3863830566406	172.0
392.4027404785156	308.0
392.4784240722656	472.0
392.5554504394531	480.0
392.606201171875	472.0
392.6487121582031	412.0
392.7001647949219	372.0
392.73980712890625	312.0
392.76806640625	672.0
392.8773498535156	1000.0
392.9342041015625	496.0
392.9886474609375	712.0
393.0384216308594	500.0
393.0977478027344	984.0
393.2197265625	265020.0
393.3575134277344	120.0
393.4896240234375	480.0
393.58746337890625	3052.0
393.65234375	1168.0
393.713623046875	1044.0
393.7605895996094	1476.0
393.8203430175781	2936.0
393.883544921875	14296.0
393.971923828125	488.0
394.02691650390625	460.0
394.088623046875	516.0
394.22314453125	210944.0
394.33111572265625	120.0
394.396240234375	136.0
394.452392578125	128.0
394.48626708984375	1268.0
394.58026123046875	664.0
394.6331481933594	316.0
394.6785888671875	172.0
394.70892333984375	196.0
394.8280029296875	784.0
394.8728332519531	7552.0
394.9134826660156	384.0
395.00323486328125	112.0
395.0411682128906	108.0
395.06939697265625	196.0
395.0966491699219	236.0
395.135009765625	212.0
395.1693115234375	572.0
395.2242126464844	53088.0
395.4079895019531	120.0
395.4767761230469	276.0
395.55078125	272.0
395.5986022949219	296.0
395.7020568847656	140.0
395.74072265625	144.0
395.8063049316406	512.0
395.96502685546875	144.0
395.9992370605469	132.0
396.04315185546875	108.0
396.0928955078125	256.0
396.1324157714844	200.0
396.1744384765625	420.0
396.224609375	3004.0
396.3876037597656	404.0
396.4181213378906	224.0
396.4668884277344	272.0
396.49005126953125	488.0
396.5389099121094	392.0
396.5845642089844	588.0
396.6517028808594	340.0
396.70831298828125	300.0
396.7379150390625	476.0
396.7669372558594	800.0
396.8491516113281	772.0
396.9430847167969	188.0
396.9815673828125	300.0
397.0496520996094	360.0
397.1576232910156	112.0
397.2152404785156	220.0
397.32904052734375	184.0
397.38934326171875	168.0
397.4611511230469	300.0
397.5255126953125	168.0
397.5692138671875	176.0
397.6440734863281	108.0
397.6938171386719	176.0
397.7331237792969	212.0
397.7807922363281	156.0
397.8257751464844	168.0
397.8706970214844	152.0
397.97955322265625	152.0
398.1239929199219	196.0
398.20965576171875	104.0
398.30303955078125	180.0
398.3503723144531	144.0
398.4156799316406	176.0
398.54498291015625	128.0
398.6805725097656	100.0
398.72479248046875	116.0
398.95037841796875	116.0
399.9278259277344	100.0
400.04791259765625	152.0
400.49072265625	112.0
401.2869567871094	212.0
401.54718017578125	108.0
404.4960021972656	100.0
404.9685363769531	188.0
406.2218933105469	104.0
406.3720397949219	152.0
406.6208190917969	152.0
406.9872131347656	124.0
407.2873229980469	156.0
407.3756103515625	192.0
407.8717346191406	108.0
408.12005615234375	112.0
409.1070556640625	160.0
409.143310546875	132.0
409.1722717285156	96.0
409.8349304199219	220.0
410.3116760253906	100.0
410.4277038574219	144.0
410.7109375	132.0
411.7104797363281	112.0
412.1850891113281	112.0
412.4332580566406	96.0
412.87811279296875	132.0
412.9947814941406	160.0
414.23480224609375	144.0
417.13592529296875	100.0
421.4971618652344	112.0
424.4493408203125	136.0
458.30133056640625	144.0
468.1664733886719	160.0
482.0567932128906	96.0
500.8548278808594	100.0
530.6875610351562	124.0
550.9674682617188	144.0
580.3272705078125	160.0
583.9833984375	104.0
594.0247802734375	164.0
597.2467041015625	96.0
601.3613891601562	148.0
604.0732421875	164.0
614.6115112304688	144.0
626.3884887695312	100.0
639.53466796875	96.0
645.5386352539062	140.0
645.7885131835938	112.0
662.0440673828125	116.0
666.2736206054688	148.0
706.84716796875	140.0
745.8397216796875	152.0
788.7943115234375	140.0
806.0992431640625	144.0
813.5074462890625	152.0
859.9258422851562	156.0
881.8560791015625	100.0
894.0234985351562	224.0
929.8068237304688	200.0
965.3551025390625	132.0
1005.23193359375	132.0
1026.732666015625	152.0
1072.5963134765625	184.0
1124.0548095703125	152.0
1142.4598388671875	152.0
1156.4276123046875	140.0
1182.7210693359375	240.0
1210.798583984375	144.0
1216.5189208984375	156.0
1226.6751708984375	188.0
1252.9759521484375	144.0
1256.3951416015625	140.0
1263.127197265625	148.0
1266.9215087890625	172.0
1272.0556640625	208.0
1293.347412109375	196.0
1302.8990478515625	212.0
1316.3389892578125	148.0
1324.8446044921875	144.0
1335.0352783203125	200.0
1341.0123291015625	176.0
1341.806884765625	156.0
1343.9876708984375	192.0
1346.8348388671875	144.0
1347.548828125	208.0
1350.94287109375	236.0
1351.0672607421875	156.0
1354.64697265625	200.0
1356.9774169921875	196.0
1360.2567138671875	152.0
1362.03369140625	160.0
1370.339111328125	200.0
1371.0760498046875	164.0
1377.953125	152.0
1378.100830078125	176.0
1379.00244140625	232.0
1391.1427001953125	156.0
1397.6160888671875	140.0
1407.1712646484375	192.0
1408.590087890625	144.0
1411.34033203125	192.0
1413.6890869140625	160.0
1421.52001953125	160.0
1422.1654052734375	164.0
1426.8829345703125	192.0
1429.4703369140625	252.0
1431.608154296875	184.0
1435.3985595703125	164.0
1437.66162109375	180.0
1438.4918212890625	140.0
1442.17041015625	148.0
1446.4288330078125	144.0
1452.0660400390625	180.0
1456.5972900390625	148.0
1469.2950439453125	304.0
1471.951171875	160.0
1476.33740234375	140.0
1480.01806640625	236.0
1482.9290771484375	176.0
1491.367431640625	180.0
1507.6337890625	184.0
1507.8192138671875	152.0
1509.581787109375	152.0
1514.8060302734375	184.0
1517.3013916015625	168.0
1517.4332275390625	208.0
1529.2095947265625	160.0
1530.292724609375	132.0
1532.9710693359375	160.0
1536.159912109375	140.0
1538.4229736328125	164.0
1539.5863037109375	188.0
1543.0791015625	204.0
1553.41650390625	164.0
1559.792724609375	252.0
1561.7977294921875	212.0
1561.88427734375	264.0
1563.28466796875	152.0
1564.3236083984375	208.0
1567.14306640625	156.0
1567.8206787109375	156.0
1569.3577880859375	152.0
1572.6868896484375	152.0
1573.2789306640625	188.0
1573.855224609375	220.0
1576.92822265625	176.0
1578.82568359375	180.0
1581.8797607421875	224.0
1585.0872802734375	176.0
1586.1572265625	148.0
1587.2591552734375	208.0
1591.14697265625	156.0
1591.559814453125	180.0
1596.2320556640625	172.0
1597.0194091796875	180.0
1600.3218994140625	160.0
1601.0067138671875	148.0
1603.9945068359375	152.0
1605.2940673828125	160.0
1612.43896484375	208.0
1626.09423828125	144.0
1627.4588623046875	160.0
1628.54296875	164.0
1629.6033935546875	188.0
1629.812255859375	200.0
1640.7662353515625	140.0
1641.6451416015625	148.0
1643.6859130859375	224.0
1644.379150390625	152.0
1647.771484375	184.0
1648.8138427734375	176.0
1652.287109375	192.0
1657.7967529296875	244.0
1659.077392578125	160.0
1665.2615966796875	120.0
1672.595703125	140.0
1673.7098388671875	176.0
1676.0474853515625	148.0
1678.23193359375	192.0
1688.6927490234375	184.0
1694.218017578125	176.0
1700.11328125	164.0
1700.8192138671875	172.0
1703.6439208984375	156.0
1705.385986328125	148.0
1705.583251953125	188.0
1709.10302734375	176.0
1714.30712890625	184.0
1715.3126220703125	152.0
1718.0257568359375	168.0
1718.685791015625	196.0
1728.2869873046875	188.0
1728.5517578125	180.0
1728.85791015625	164.0
1734.8131103515625	152.0
1738.163818359375	184.0
1743.303955078125	216.0
1745.22412109375	144.0
1747.785888671875	144.0
1749.758544921875	220.0
1751.232421875	152.0
1751.9737548828125	164.0
1752.60693359375	160.0
1753.531982421875	192.0
1755.3409423828125	180.0
1757.142578125	156.0
1757.7432861328125	248.0
1759.3792724609375	196.0
1768.0386962890625	140.0
1779.029052734375	104.0
1779.0943603515625	200.0
1779.90869140625	188.0
1788.3154296875	220.0
1789.61181640625	188.0
1791.8521728515625	228.0
1792.9053955078125	176.0
1796.100830078125	176.0
1796.5816650390625	156.0
1796.8094482421875	196.0
1799.788818359375	196.0
1800.4559326171875	232.0
1800.903564453125	152.0
1801.1063232421875	160.0
1801.28369140625	168.0
1801.7735595703125	180.0
1803.3031005859375	176.0
1805.340576171875	164.0
1805.9906005859375	140.0
1807.62451171875	160.0
1808.174560546875	256.0
1808.4200439453125	196.0
1809.1734619140625	212.0
1810.1470947265625	156.0
1811.8834228515625	144.0
1813.4510498046875	188.0
1814.8922119140625	148.0
1817.291015625	156.0
1817.8271484375	172.0
1819.2445068359375	204.0
1820.5775146484375	164.0
1821.2144775390625	180.0
1821.7666015625	160.0
1821.9620361328125	156.0
1824.9962158203125	140.0
1827.6839599609375	268.0
1828.84130859375	168.0
1830.056396484375	148.0
1832.3824462890625	128.0
1835.0599365234375	244.0
1838.69384765625	160.0
1843.3565673828125	220.0
1844.7667236328125	140.0
1846.109130859375	152.0
1852.014404296875	160.0
1854.7305908203125	188.0
1856.6376953125	148.0
1861.2076416015625	184.0
1871.5687255859375	144.0
1872.98974609375	200.0
1875.6522216796875	188.0
1877.0748291015625	272.0
1878.704833984375	208.0
1878.8515625	212.0
1880.24072265625	172.0
1881.785888671875	208.0
1882.128662109375	172.0
1882.3902587890625	152.0
1882.934326171875	184.0
1883.020751953125	144.0
1883.3748779296875	168.0
1883.685791015625	172.0
1888.085205078125	168.0
1889.6767578125	164.0
1892.7840576171875	176.0
1892.862060546875	176.0
1894.247802734375	152.0
1894.7242431640625	156.0
1901.0277099609375	140.0
1904.24853515625	148.0
1907.619873046875	156.0
1908.9154052734375	164.0
1909.0980224609375	196.0
1909.245849609375	192.0
1910.8724365234375	180.0
1911.464111328125	148.0
1912.1341552734375	164.0
1914.0145263671875	168.0
1915.9393310546875	164.0
1920.760009765625	200.0
1921.056640625	152.0
1922.41259765625	168.0
1924.163330078125	140.0
1924.2681884765625	204.0
1924.80078125	308.0
1925.4993896484375	156.0
1926.48388671875	156.0
1928.0155029296875	180.0
1932.87744140625	276.0
1935.9324951171875	148.0
1936.7821044921875	156.0
1936.87841796875	164.0
1937.1380615234375	180.0
1938.315185546875	212.0
1939.08642578125	188.0
1939.40185546875	148.0
1939.77001953125	188.0
1941.7603759765625	148.0
1943.4447021484375	236.0
1946.21826171875	176.0
1948.949951171875	208.0
1949.6617431640625	144.0
1950.9888916015625	156.0
1952.316650390625	152.0
1955.721435546875	144.0
1957.0771484375	212.0
1959.1920166015625	124.0
1959.2877197265625	160.0
1959.4727783203125	160.0
1960.0455322265625	176.0
1963.748046875	176.0
1970.6865234375	160.0
1974.0631103515625	148.0
1976.18603515625	140.0
1979.52294921875	148.0
1979.7620849609375	172.0
1985.5401611328125	144.0
1986.8062744140625	136.0
1989.1602783203125	160.0
1989.5064697265625	144.0
1989.88818359375	228.0
1990.252197265625	140.0
1990.84716796875	164.0
1995.2454833984375	144.0
1995.6455078125	164.0
1996.7303466796875	140.0
1996.845947265625	148.0
1997.415283203125	212.0
1999.0789794921875	188.0
2001.7940673828125	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078903
PEPMASS=197.113449
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=NAFTOPIDIL [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccccc1N2CCN(CC(O)COc3cccc4ccccc34)CC2
INCHI=InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3
INCHIAUX=HRRBJVNMSRJFHQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078903
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078903
SCANS=1247
44.962249755859375	176.0
47.26287078857422	176.0
47.896671295166016	180.0
49.31755828857422	184.0
49.386070251464844	164.0
49.41265106201172	200.0
49.86277389526367	152.0
50.43997573852539	172.0
50.777652740478516	152.0
50.86136245727539	180.0
52.082218170166016	156.0
52.15837478637695	140.0
52.532772064208984	144.0
52.93167495727539	160.0
53.4964599609375	144.0
55.11271286010742	172.0
55.438255310058594	264.0
56.55227279663086	196.0
56.67207717895508	216.0
57.092384338378906	184.0
58.35197830200195	164.0
58.65187454223633	248.0
58.99533462524414	212.0
60.241641998291016	148.0
61.80259323120117	192.0
61.82136917114258	180.0
61.84014892578125	200.0
63.88044357299805	148.0
64.67349243164062	144.0
67.54085540771484	196.0
67.65867614746094	164.0
69.14341735839844	160.0
69.7853775024414	244.0
71.47476196289062	180.0
71.86061096191406	152.0
72.03449249267578	152.0
73.27462005615234	180.0
74.21293640136719	176.0
76.88561248779297	152.0
77.20181274414062	140.0
77.86426544189453	172.0
78.09274291992188	164.0
78.23703002929688	164.0
79.60023498535156	164.0
79.72457885742188	172.0
80.31924438476562	164.0
80.67638397216797	148.0
80.93222045898438	232.0
81.79035186767578	148.0
83.07696533203125	140.0
83.6493911743164	168.0
84.06676483154297	148.0
84.9137954711914	168.0
85.54219818115234	160.0
86.08609771728516	176.0
87.05460357666016	156.0
87.55857849121094	144.0
87.62377166748047	176.0
87.81391143798828	192.0
88.07147979736328	200.0
90.76651000976562	272.0
91.05402374267578	156.0
92.6534423828125	164.0
92.99668884277344	160.0
93.28673553466797	172.0
93.5425796508789	268.0
94.06304168701172	180.0
95.56037902832031	196.0
95.84730529785156	244.0
95.8999252319336	140.0
96.91807556152344	148.0
97.07685089111328	200.0
99.94309997558594	188.0
100.08243560791016	188.0
100.35939025878906	216.0
101.65025329589844	140.0
103.0703353881836	3176.0
103.57217407226562	336.0
104.05730438232422	360.0
104.077880859375	152.0
104.14286041259766	192.0
106.04354095458984	200.0
106.06464385986328	276.0
107.04905700683594	160.0
107.06965637207031	144.0
108.03977966308594	148.0
108.53478240966797	152.0
109.05792999267578	140.0
109.29084014892578	140.0
111.34153747558594	252.0
112.48482513427734	140.0
113.48973083496094	160.0
114.09263610839844	160.0
114.66954040527344	168.0
115.05411529541016	1808.0
115.09619903564453	164.0
115.6028060913086	224.0
116.06184387207031	280.0
116.07644653320312	380.0
117.07013702392578	1820.0
117.57714080810547	192.0
118.06503295898438	408.0
119.0704345703125	172.0
120.0451431274414	656.0
120.08145141601562	228.0
121.05321502685547	468.0
121.20291137695312	196.0
121.48573303222656	172.0
124.08589172363281	200.0
125.0836410522461	2960.0
125.58256530761719	852.0
125.96861267089844	148.0
126.0503921508789	260.0
126.09638214111328	176.0
126.18985748291016	172.0
126.57918548583984	208.0
126.60381317138672	260.0
127.05563354492188	1544.0
128.0580596923828	540.0
129.0675506591797	304.0
130.06626892089844	364.0
131.0566864013672	384.0
131.0835723876953	176.0
132.05043029785156	308.0
132.0775909423828	168.0
133.0530242919922	684.0
134.05979919433594	2008.0
135.06661987304688	664.0
135.93807983398438	160.0
135.9775390625	148.0
136.0758056640625	504.0
137.07693481445312	172.0
140.0340576171875	176.0
141.0717010498047	164.0
141.5572967529297	216.0
141.9150848388672	140.0
143.05023193359375	584.0
143.1835479736328	204.0
143.98057556152344	168.0
144.0235595703125	152.0
144.0570526123047	3420.0
144.93264770507812	168.0
145.06541442871094	28052.0
145.10914611816406	140.0
145.26495361328125	124.0
145.40174865722656	96.0
145.47946166992188	148.0
145.60284423828125	124.0
145.86660766601562	96.0
145.9365692138672	132.0
146.0685577392578	2452.0
146.13491821289062	164.0
146.3521728515625	152.0
147.0684051513672	160.0
147.21107482910156	196.0
148.07467651367188	932.0
149.08180236816406	924.0
150.09103393554688	2224.0
151.0955047607422	360.0
151.43258666992188	152.0
152.0574493408203	180.0
153.07176208496094	148.0
153.94850158691406	144.0
154.08187866210938	320.0
155.0612335205078	1932.0
155.0848846435547	1188.0
155.75399780273438	148.0
156.0653839111328	336.0
157.06492614746094	796.0
159.10775756835938	216.0
161.08026123046875	260.0
161.9015655517578	148.0
162.09048461914062	1176.0
162.58604431152344	144.0
163.09527587890625	104.0
163.6689453125	200.0
165.06739807128906	156.0
166.07373046875	180.0
168.05970764160156	168.0
169.06407165527344	152.0
170.07138061523438	548.0
170.1509552001953	160.0
171.0831298828125	188.0
171.97052001953125	148.0
174.02548217773438	196.0
174.0919952392578	364.0
174.11233520507812	180.0
174.89300537109375	164.0
175.0900421142578	544.0
175.1220703125	160.0
176.09593200683594	184.0
176.4414520263672	152.0
176.62127685546875	140.0
177.10250854492188	1548.0
177.33616638183594	164.0
178.0790557861328	176.0
178.10235595703125	396.0
178.1268768310547	152.0
179.99649047851562	148.0
183.08071899414062	1952.0
184.0840301513672	296.0
187.86708068847656	180.0
188.11138916015625	228.0
189.1002960205078	196.0
190.1105499267578	5008.0
191.1148223876953	1556.0
192.1197052001953	308.0
192.56259155273438	144.0
193.13331604003906	4600.0
193.4512176513672	148.0
194.14170837402344	400.0
196.13735961914062	156.0
196.600341796875	212.0
196.62844848632812	112.0
197.11318969726562	2972.0
197.61415100097656	1140.0
198.00051879882812	156.0
198.1173095703125	440.0
203.11878967285156	180.0
204.10494995117188	224.0
204.20164489746094	152.0
204.6854248046875	180.0
204.9959259033203	188.0
205.05006408691406	168.0
205.0700225830078	268.0
205.1344451904297	10700.0
206.13720703125	2452.0
206.7951202392578	152.0
207.63169860839844	144.0
211.0556182861328	204.0
211.2060089111328	184.0
216.13134765625	180.0
217.7289581298828	180.0
219.1460418701172	396.0
220.1201629638672	164.0
220.1510467529297	184.0
221.1282501220703	340.0
225.195556640625	156.0
231.1470489501953	636.0
231.8597412109375	156.0
233.1674346923828	872.0
234.17295837402344	440.0
235.14373779296875	516.0
236.13978576660156	184.0
236.93927001953125	144.0
248.14678955078125	140.0
248.41021728515625	140.0
249.01600646972656	152.0
249.1607208251953	26728.0
250.1626434326172	3544.0
250.3778076171875	168.0
250.53387451171875	116.0
251.16188049316406	700.0
252.4398193359375	116.0
267.1650390625	148.0
298.1040954589844	140.0
340.3258056640625	164.0
1190.88037109375	204.0
1250.0186767578125	176.0
1292.130859375	212.0
1306.0482177734375	132.0
1365.238037109375	252.0
1432.579833984375	228.0
1524.100341796875	200.0
1538.212158203125	216.0
1544.306884765625	176.0
1549.24609375	204.0
1589.6865234375	160.0
1590.3134765625	216.0
1591.6710205078125	248.0
1601.779296875	196.0
1612.079345703125	188.0
1614.349609375	172.0
1624.3289794921875	164.0
1632.8509521484375	140.0
1659.3853759765625	188.0
1682.05810546875	236.0
1707.679931640625	220.0
1718.850830078125	172.0
1723.4168701171875	172.0
1735.3603515625	160.0
1736.8115234375	212.0
1750.349609375	164.0
1760.17236328125	180.0
1770.05615234375	212.0
1779.5980224609375	168.0
1793.2509765625	228.0
1793.984375	164.0
1795.358642578125	228.0
1804.3935546875	156.0
1806.837646484375	140.0
1820.5775146484375	168.0
1826.05908203125	204.0
1831.6341552734375	152.0
1834.0966796875	152.0
1841.0244140625	156.0
1847.631591796875	156.0
1849.5313720703125	184.0
1851.2264404296875	200.0
1862.8909912109375	204.0
1872.1973876953125	196.0
1885.86328125	164.0
1890.048828125	156.0
1894.8714599609375	160.0
1920.4896240234375	140.0
1922.72314453125	204.0
1926.853271484375	160.0
1950.8658447265625	144.0
1959.0762939453125	160.0
1963.6951904296875	180.0
1965.22119140625	176.0
1969.096435546875	196.0
1971.375732421875	140.0
1973.267333984375	140.0
1981.9765625	236.0
1995.4232177734375	164.0
2002.3818359375	208.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078904
PEPMASS=358.128815
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ROSIGLITAZONE MALEATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c3ccccn3
INCHI=InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
INCHIAUX=YASAKCUCGLMORW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078904
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078904
SCANS=1076
44.97964096069336	168.0
45.209529876708984	156.0
45.225589752197266	196.0
45.25771713256836	184.0
45.468177795410156	152.0
45.77360916137695	140.0
45.96205520629883	172.0
46.35690689086914	160.0
46.4735221862793	228.0
46.527809143066406	184.0
46.537315368652344	140.0
46.74528121948242	192.0
46.76841735839844	168.0
46.86238479614258	216.0
46.880096435546875	176.0
46.98372268676758	172.0
47.02875518798828	204.0
47.278865814208984	144.0
47.48436737060547	208.0
47.526893615722656	200.0
48.02627944946289	152.0
48.28179168701172	192.0
48.74758529663086	204.0
48.903350830078125	148.0
49.07330322265625	216.0
49.09421920776367	164.0
49.19049072265625	156.0
49.267295837402344	180.0
49.53868865966797	196.0
49.70412826538086	188.0
49.82768630981445	140.0
49.868438720703125	156.0
50.18471145629883	216.0
50.3516960144043	140.0
50.63596725463867	168.0
50.70397186279297	144.0
50.769187927246094	172.0
50.82640075683594	156.0
50.8486328125	208.0
50.950870513916016	156.0
51.20121765136719	140.0
51.26752853393555	144.0
51.339454650878906	164.0
51.582176208496094	180.0
51.592105865478516	148.0
51.60791015625	212.0
51.63920974731445	140.0
51.65303421020508	196.0
51.861297607421875	156.0
51.94733428955078	160.0
51.98320388793945	212.0
52.13111114501953	184.0
52.16416931152344	152.0
52.25045394897461	160.0
52.42036056518555	148.0
52.550132751464844	168.0
52.566001892089844	144.0
52.655113220214844	160.0
52.936065673828125	152.0
53.05454635620117	176.0
53.281272888183594	208.0
53.54018783569336	148.0
53.875667572021484	184.0
53.98675537109375	152.0
54.07746124267578	168.0
54.175567626953125	176.0
54.29429244995117	204.0
54.310428619384766	160.0
54.352787017822266	96.0
54.75135040283203	140.0
54.76755142211914	328.0
54.91494369506836	184.0
55.00199890136719	140.0
55.15580749511719	188.0
55.248779296875	156.0
55.260616302490234	144.0
55.3566780090332	120.0
55.38496780395508	152.0
55.40274429321289	172.0
55.43682098388672	192.0
55.509456634521484	168.0
55.72914123535156	168.0
55.8450927734375	168.0
55.8927001953125	160.0
55.987205505371094	148.0
56.03861618041992	168.0
56.15041732788086	244.0
56.21307373046875	148.0
56.399757385253906	152.0
56.550235748291016	184.0
56.73057556152344	152.0
56.999229431152344	152.0
57.04582214355469	144.0
57.18119430541992	184.0
57.25797653198242	180.0
57.490142822265625	148.0
57.509765625	140.0
57.97407150268555	216.0
58.104469299316406	180.0
58.42502975463867	140.0
58.50030517578125	152.0
58.83345413208008	208.0
58.86178207397461	144.0
58.92277145385742	140.0
59.28190994262695	140.0
59.43648147583008	160.0
59.52397537231445	200.0
59.8922119140625	156.0
60.178375244140625	184.0
60.59572219848633	148.0
61.01656723022461	220.0
61.312313079833984	184.0
61.444854736328125	184.0
61.5338134765625	160.0
61.76250076293945	212.0
61.85506057739258	140.0
61.90282440185547	200.0
62.20071029663086	160.0
62.242942810058594	200.0
62.320068359375	156.0
62.33735275268555	228.0
62.526065826416016	148.0
62.62210464477539	176.0
62.82071304321289	144.0
62.83317184448242	156.0
62.868045806884766	172.0
63.12712097167969	192.0
63.28060531616211	288.0
63.410499572753906	156.0
63.42793655395508	228.0
63.480255126953125	144.0
63.50475311279297	104.0
63.570674896240234	172.0
63.69133758544922	156.0
63.93300247192383	160.0
64.19744873046875	224.0
64.52957916259766	168.0
64.65960693359375	152.0
64.74108123779297	132.0
64.94915008544922	144.0
64.97000122070312	148.0
65.27999114990234	320.0
66.09783935546875	164.0
66.17050170898438	152.0
66.21439361572266	172.0
66.55656433105469	144.0
66.58904266357422	144.0
66.68327331542969	168.0
66.91751861572266	180.0
67.31864166259766	188.0
67.489990234375	144.0
67.52188110351562	176.0
67.63090515136719	172.0
67.90616607666016	232.0
68.24280548095703	172.0
68.2641830444336	148.0
68.41719818115234	144.0
68.53083801269531	148.0
68.57747650146484	200.0
68.78646087646484	184.0
68.87067413330078	160.0
69.01704406738281	168.0
69.06648254394531	164.0
69.1517562866211	212.0
69.20380401611328	172.0
69.23121643066406	196.0
69.30205535888672	116.0
69.40355682373047	192.0
69.43174743652344	240.0
69.44833374023438	140.0
69.499755859375	172.0
69.97669219970703	136.0
70.03006744384766	148.0
70.11127471923828	188.0
70.22280883789062	224.0
70.28346252441406	208.0
70.42034912109375	172.0
70.80413055419922	164.0
71.01116180419922	576.0
71.14540100097656	180.0
71.30665588378906	160.0
71.33019256591797	200.0
71.42266845703125	164.0
71.58592224121094	160.0
71.93492889404297	232.0
72.00415802001953	160.0
72.43486022949219	260.0
72.62530517578125	156.0
72.72711181640625	160.0
73.04863739013672	184.0
73.12142944335938	176.0
74.00739288330078	160.0
74.34336853027344	148.0
74.71278381347656	204.0
74.728271484375	156.0
74.8521957397461	168.0
75.41633605957031	180.0
75.54256439208984	176.0
75.56352996826172	172.0
75.92535400390625	140.0
75.96350860595703	152.0
76.04511260986328	128.0
76.29345703125	200.0
76.32649230957031	148.0
76.37171173095703	184.0
77.04806518554688	184.0
77.07427215576172	164.0
77.20362854003906	176.0
77.41362762451172	168.0
77.4626693725586	152.0
77.67301940917969	200.0
77.95040893554688	240.0
78.03478240966797	140.0
78.14382934570312	156.0
78.42382049560547	204.0
78.48905181884766	168.0
78.52255249023438	152.0
78.60035705566406	156.0
78.71668243408203	164.0
78.88098907470703	160.0
79.16407012939453	172.0
79.27567291259766	144.0
79.47782135009766	184.0
79.68556213378906	232.0
79.71221160888672	148.0
80.0252685546875	172.0
80.20270538330078	220.0
80.29216766357422	148.0
80.72325134277344	160.0
80.92692565917969	184.0
81.05409240722656	144.0
81.1168212890625	176.0
81.13411712646484	148.0
81.16881561279297	192.0
81.19930267333984	144.0
81.27278900146484	120.0
81.53502655029297	152.0
81.86244201660156	168.0
82.22119140625	180.0
82.43970489501953	196.0
82.5103988647461	180.0
82.5752944946289	180.0
82.6621322631836	156.0
82.87217712402344	156.0
83.04801940917969	156.0
83.08102416992188	204.0
83.10326385498047	132.0
83.44207000732422	144.0
83.58757781982422	156.0
83.91179656982422	160.0
84.02487182617188	272.0
84.0923843383789	164.0
84.3974609375	152.0
84.74156188964844	144.0
84.8790283203125	164.0
84.9395523071289	160.0
85.22594451904297	184.0
85.5073013305664	148.0
86.26746368408203	132.0
86.43553924560547	216.0
86.66329193115234	272.0
86.7176513671875	228.0
86.7552261352539	172.0
86.77366638183594	168.0
86.97113037109375	140.0
87.26278686523438	180.0
87.554931640625	208.0
87.86912536621094	172.0
87.90540313720703	236.0
87.93362426757812	164.0
88.082763671875	192.0
88.26405334472656	152.0
88.50542449951172	144.0
88.8971939086914	160.0
89.08119201660156	164.0
89.74044036865234	204.0
89.78890991210938	148.0
90.35179901123047	184.0
90.49185180664062	140.0
90.53730010986328	216.0
90.69075775146484	144.0
90.89368438720703	148.0
90.99427795410156	344.0
91.05622863769531	352.0
91.16539001464844	144.0
91.32112121582031	168.0
91.37220001220703	140.0
91.4010238647461	172.0
91.56494140625	148.0
91.98993682861328	140.0
92.04788208007812	280.0
92.09495544433594	180.0
92.11023712158203	152.0
92.20767974853516	140.0
92.29753112792969	144.0
92.34342193603516	196.0
92.36695861816406	184.0
92.41802978515625	168.0
92.44673156738281	172.0
92.53861236572266	184.0
93.0197982788086	156.0
93.05842590332031	1068.0
93.08699798583984	228.0
93.23876190185547	148.0
93.26759338378906	180.0
93.3079605102539	220.0
93.36180114746094	176.0
93.42720031738281	216.0
93.9241943359375	140.0
94.03007507324219	164.0
94.06588745117188	5096.0
94.1036605834961	144.0
94.2010269165039	164.0
94.6450424194336	208.0
94.8412094116211	220.0
94.96868133544922	156.0
95.06364440917969	884.0
95.27784729003906	148.0
95.41919708251953	184.0
95.44158172607422	152.0
95.63317108154297	148.0
96.26287841796875	168.0
96.28045654296875	156.0
96.51103973388672	144.0
96.68513488769531	152.0
96.99263763427734	216.0
97.0298843383789	156.0
97.27251434326172	224.0
97.46167755126953	200.0
97.48236846923828	180.0
97.60909271240234	188.0
97.76056671142578	208.0
97.84451293945312	160.0
97.91201782226562	180.0
97.9397201538086	160.0
97.96138763427734	152.0
98.0948486328125	160.0
98.4841079711914	144.0
98.51688385009766	144.0
98.77269744873047	188.0
98.996337890625	196.0
99.43843841552734	196.0
99.80197143554688	152.0
100.03765106201172	172.0
100.10753631591797	108.0
100.15023040771484	152.0
100.3196029663086	204.0
100.51905059814453	148.0
100.82058715820312	144.0
100.98052978515625	152.0
101.19864654541016	144.0
101.30078887939453	148.0
101.44105529785156	196.0
101.76852416992188	124.0
101.84638977050781	144.0
101.9488525390625	148.0
102.2505111694336	200.0
102.27466583251953	180.0
102.4842529296875	164.0
102.66754150390625	148.0
102.9714126586914	204.0
103.04863739013672	140.0
103.26534271240234	140.0
103.76122283935547	176.0
103.82025909423828	168.0
103.86322784423828	172.0
103.881103515625	180.0
104.00082397460938	200.0
104.03108978271484	180.0
104.0521011352539	160.0
104.18382263183594	168.0
104.28545379638672	196.0
104.51103210449219	136.0
104.54346466064453	176.0
104.98348999023438	176.0
105.04671478271484	168.0
105.07106018066406	476.0
105.0956802368164	224.0
105.2344741821289	184.0
105.29777526855469	168.0
105.31411743164062	152.0
105.34883880615234	156.0
105.36927032470703	192.0
105.40808868408203	160.0
105.43260955810547	140.0
105.46122741699219	176.0
105.49393463134766	160.0
105.9461898803711	192.0
106.06549835205078	5072.0
106.28448486328125	244.0
106.4975357055664	128.0
106.7548828125	148.0
106.91403198242188	132.0
107.06230163574219	5676.0
107.10836029052734	212.0
107.1946029663086	164.0
107.23102569580078	128.0
107.27578735351562	188.0
107.31188201904297	168.0
107.56492614746094	168.0
107.59967803955078	164.0
107.64717102050781	336.0
107.66500091552734	120.0
107.7958984375	156.0
107.9964370727539	148.0
108.06828308105469	5448.0
108.1454086303711	164.0
108.25121307373047	148.0
108.31684875488281	176.0
108.3794174194336	168.0
108.4125747680664	196.0
108.529296875	168.0
108.60123443603516	260.0
108.79414367675781	116.0
108.91465759277344	172.0
109.01753997802734	156.0
109.07540893554688	2264.0
109.10836029052734	144.0
109.33390045166016	124.0
109.42830657958984	160.0
109.5678482055664	144.0
109.92229461669922	208.0
109.97029876708984	212.0
110.08079528808594	296.0
110.21932983398438	160.0
110.30449676513672	220.0
110.41112518310547	176.0
110.54710388183594	208.0
110.90644836425781	164.0
111.08519744873047	160.0
111.23665618896484	140.0
111.25344848632812	160.0
111.45086669921875	192.0
111.56336975097656	136.0
111.63584899902344	176.0
111.8272933959961	232.0
111.93887329101562	184.0
112.11792755126953	164.0
112.18115997314453	176.0
112.3203353881836	184.0
112.36042022705078	140.0
112.4870376586914	144.0
112.50890350341797	224.0
112.55459594726562	144.0
112.59518432617188	236.0
112.93498992919922	176.0
113.0203857421875	164.0
113.08733367919922	164.0
113.13178253173828	176.0
113.25247955322266	144.0
113.86888885498047	196.0
114.00777435302734	140.0
114.27143859863281	188.0
114.56949615478516	176.0
114.63980865478516	180.0
114.78475952148438	160.0
114.97888946533203	208.0
115.0322494506836	164.0
115.05374145507812	116.0
115.49593353271484	156.0
115.64998626708984	192.0
115.97088623046875	156.0
116.0503921508789	176.0
116.11062622070312	168.0
116.15138244628906	156.0
116.2693862915039	156.0
116.39389038085938	156.0
116.6001205444336	180.0
116.70133209228516	140.0
117.03065490722656	140.0
117.05653381347656	400.0
117.34275817871094	144.0
117.3621597290039	208.0
117.91694641113281	180.0
118.06551361083984	864.0
118.1418228149414	244.0
118.48387908935547	240.0
118.49903869628906	208.0
118.52070617675781	216.0
118.54020690917969	152.0
118.55473327636719	188.0
118.61173248291016	244.0
118.91973114013672	160.0
119.02393341064453	148.0
119.0606689453125	13000.0
119.11515045166016	172.0
119.20303344726562	192.0
119.22018432617188	128.0
119.49822998046875	180.0
119.56304168701172	156.0
119.65010833740234	164.0
119.7960205078125	220.0
119.8526611328125	204.0
119.89842224121094	152.0
120.0379409790039	304.0
120.06856536865234	7916.0
120.20154571533203	160.0
120.37705993652344	168.0
120.41495513916016	132.0
120.4526138305664	164.0
120.65147399902344	168.0
120.73893737792969	184.0
120.83174133300781	112.0
120.96867370605469	180.0
121.01210021972656	144.0
121.07628631591797	11008.0
121.39153289794922	148.0
121.43734741210938	148.0
121.47429656982422	168.0
121.57799530029297	140.0
121.9353256225586	192.0
122.0071029663086	156.0
122.07968139648438	612.0
122.43317413330078	156.0
122.50341033935547	144.0
122.72073364257812	104.0
122.79285430908203	272.0
122.94021606445312	188.0
123.07486724853516	140.0
123.34439086914062	208.0
123.39464569091797	264.0
123.47042083740234	140.0
123.62748718261719	152.0
123.76915740966797	140.0
123.83338165283203	156.0
123.92198944091797	168.0
124.78758239746094	200.0
125.02113342285156	152.0
125.11132049560547	248.0
125.20577239990234	192.0
125.4041976928711	156.0
125.7499008178711	164.0
126.01564025878906	220.0
126.32357788085938	156.0
126.64199829101562	200.0
127.24297332763672	188.0
127.3305435180664	376.0
127.4496078491211	192.0
127.89844512939453	240.0
127.93202209472656	152.0
128.02320861816406	144.0
128.05023193359375	152.0
128.6680908203125	148.0
129.03448486328125	156.0
129.31683349609375	164.0
129.61123657226562	188.0
129.80992126464844	120.0
130.35324096679688	148.0
130.38278198242188	164.0
130.62652587890625	200.0
130.8330535888672	100.0
130.95384216308594	172.0
131.2176513671875	160.0
131.3390350341797	156.0
131.40518188476562	164.0
131.75677490234375	164.0
132.06536865234375	156.0
132.6731414794922	124.0
132.89486694335938	168.0
133.06590270996094	4940.0
133.1231689453125	172.0
133.27072143554688	156.0
133.68739318847656	160.0
133.7581024169922	156.0
134.00746154785156	164.0
134.0689697265625	552.0
134.10194396972656	152.0
134.14804077148438	144.0
134.1641845703125	148.0
134.1918487548828	152.0
134.22181701660156	148.0
134.29562377929688	156.0
134.54713439941406	156.0
134.68679809570312	164.0
134.70652770996094	204.0
134.7654571533203	152.0
134.78733825683594	176.0
134.8152618408203	144.0
134.8325653076172	348.0
134.86526489257812	184.0
134.88441467285156	256.0
134.9182586669922	200.0
134.93572998046875	140.0
134.9593963623047	148.0
134.97889709472656	156.0
134.9979705810547	524.0
135.02740478515625	380.0
135.09315490722656	210044.0
135.15762329101562	232.0
135.21896362304688	100.0
135.25180053710938	144.0
135.2747039794922	328.0
135.31224060058594	208.0
135.3538055419922	292.0
135.3789520263672	108.0
135.44061279296875	264.0
135.4725799560547	3264.0
135.50523376464844	216.0
135.57638549804688	172.0
135.59841918945312	184.0
135.63470458984375	116.0
135.6533203125	268.0
135.67674255371094	236.0
135.82070922851562	116.0
135.8542938232422	144.0
135.87193298339844	152.0
136.01988220214844	184.0
136.0958251953125	27504.0
136.1569366455078	136.0
136.20458984375	124.0
136.2760009765625	120.0
136.70538330078125	112.0
136.80819702148438	156.0
136.84536743164062	100.0
136.9342041015625	112.0
136.9624786376953	112.0
136.9983367919922	188.0
137.0238800048828	164.0
137.06912231445312	228.0
137.09957885742188	1328.0
137.17095947265625	104.0
137.20074462890625	196.0
137.2280731201172	104.0
137.2566375732422	96.0
137.33184814453125	100.0
137.37982177734375	140.0
137.81210327148438	156.0
138.0651092529297	376.0
138.12368774414062	172.0
138.2124786376953	156.0
138.38661193847656	212.0
138.46124267578125	148.0
139.18287658691406	172.0
139.81082153320312	152.0
139.8905487060547	164.0
140.05772399902344	160.0
140.20616149902344	140.0
140.23680114746094	148.0
140.60000610351562	208.0
140.96603393554688	160.0
141.67347717285156	220.0
141.88912963867188	156.0
142.23670959472656	128.0
142.2544708251953	180.0
142.87709045410156	168.0
143.2770538330078	168.0
143.83029174804688	156.0
143.98069763183594	156.0
144.5688018798828	148.0
145.0665740966797	624.0
145.15504455566406	120.0
145.49159240722656	192.0
146.07142639160156	520.0
146.26805114746094	152.0
146.76914978027344	144.0
146.9739532470703	184.0
147.0789794921875	216.0
147.11656188964844	144.0
147.14553833007812	156.0
147.20108032226562	204.0
147.51998901367188	164.0
147.73280334472656	196.0
147.8513641357422	152.0
148.0293731689453	260.0
148.07408142089844	144.0
148.3435516357422	132.0
148.48367309570312	168.0
148.50791931152344	148.0
148.68504333496094	152.0
149.04039001464844	160.0
149.93751525878906	156.0
150.1788787841797	140.0
150.33164978027344	144.0
150.60357666015625	188.0
150.81614685058594	188.0
151.02076721191406	276.0
151.0608673095703	584.0
151.47926330566406	156.0
152.06375122070312	232.0
152.39678955078125	144.0
152.44178771972656	116.0
152.86758422851562	128.0
153.8745574951172	144.0
154.04495239257812	144.0
154.07212829589844	152.0
154.55177307128906	196.0
154.6106414794922	116.0
154.98507690429688	204.0
155.10899353027344	152.0
155.68955993652344	184.0
155.80601501464844	168.0
156.41555786132812	156.0
156.8140869140625	160.0
157.03846740722656	164.0
157.40032958984375	140.0
157.55804443359375	140.0
157.95765686035156	148.0
158.01040649414062	144.0
158.50009155273438	132.0
158.65130615234375	208.0
159.0802764892578	156.0
159.4369354248047	236.0
159.9411163330078	156.0
160.02304077148438	216.0
160.40679931640625	192.0
160.71615600585938	152.0
160.7960968017578	176.0
161.41078186035156	168.0
161.62115478515625	140.0
162.05429077148438	148.0
162.0977020263672	136.0
162.22601318359375	140.0
162.40773010253906	176.0
163.2288818359375	152.0
163.8677520751953	152.0
164.027099609375	112.0
164.0818328857422	148.0
164.69683837890625	180.0
166.34072875976562	148.0
167.7574920654297	132.0
168.0417938232422	248.0
168.1914825439453	196.0
168.2353515625	148.0
168.40061950683594	180.0
169.05470275878906	152.0
169.2358856201172	160.0
169.49490356445312	184.0
169.64523315429688	152.0
170.00315856933594	156.0
170.7730255126953	168.0
171.50900268554688	140.0
172.01504516601562	180.0
172.04898071289062	256.0
172.4629364013672	160.0
173.0574188232422	176.0
174.09185791015625	108.0
174.89051818847656	152.0
175.13275146484375	156.0
175.306640625	160.0
175.37515258789062	168.0
175.6962127685547	180.0
175.84991455078125	140.0
176.7193145751953	168.0
177.0369415283203	144.0
177.1773223876953	160.0
177.66864013671875	136.0
178.0234375	228.0
178.0845184326172	148.0
178.34048461914062	120.0
178.50442504882812	144.0
179.05340576171875	368.0
179.28973388671875	208.0
179.60166931152344	140.0
179.964599609375	144.0
180.0420379638672	152.0
180.15032958984375	228.0
180.20765686035156	180.0
180.5230712890625	172.0
180.86550903320312	148.0
181.38247680664062	148.0
181.78746032714844	156.0
182.15797424316406	140.0
182.3621826171875	144.0
182.57546997070312	156.0
182.6202850341797	176.0
182.68215942382812	232.0
183.0401153564453	156.0
183.08522033691406	144.0
183.78675842285156	184.0
184.01077270507812	144.0
184.2495880126953	140.0
184.80267333984375	304.0
185.31439208984375	320.0
185.3770751953125	184.0
185.4959716796875	188.0
186.74771118164062	168.0
186.78306579589844	144.0
186.8728485107422	160.0
188.01185607910156	264.0
188.16470336914062	168.0
188.67608642578125	152.0
189.15431213378906	144.0
189.25135803222656	152.0
189.3760986328125	236.0
189.4171905517578	144.0
189.77169799804688	212.0
189.90234375	240.0
190.0038299560547	116.0
190.51171875	152.0
190.78927612304688	144.0
191.0658416748047	104.0
191.3092041015625	152.0
191.33151245117188	116.0
191.5653076171875	236.0
191.73614501953125	160.0
192.2711639404297	152.0
192.493408203125	276.0
192.7516632080078	172.0
193.19956970214844	144.0
193.4181671142578	196.0
193.6507568359375	152.0
193.67015075683594	144.0
194.23281860351562	360.0
195.1756134033203	100.0
195.6862335205078	156.0
196.16432189941406	172.0
196.22952270507812	144.0
196.64236450195312	220.0
196.980224609375	140.0
197.1031494140625	200.0
197.37149047851562	204.0
197.4833526611328	152.0
197.7631378173828	184.0
198.08514404296875	180.0
198.1719970703125	200.0
198.5602264404297	144.0
198.87867736816406	148.0
199.17349243164062	160.0
199.214599609375	184.0
199.2493438720703	152.0
199.43711853027344	156.0
199.46572875976562	176.0
199.6676025390625	140.0
199.87632751464844	176.0
200.6732177734375	104.0
200.72137451171875	144.0
200.997802734375	156.0
201.08245849609375	164.0
201.1022186279297	164.0
201.5311737060547	116.0
201.7151641845703	172.0
201.94564819335938	140.0
202.34034729003906	140.0
202.98666381835938	184.0
203.3229217529297	168.0
203.59078979492188	220.0
203.6390838623047	176.0
203.74417114257812	168.0
204.02552795410156	168.0
204.11082458496094	180.0
204.264404296875	204.0
204.45217895507812	228.0
204.47779846191406	204.0
204.5472869873047	144.0
205.31253051757812	148.0
205.68663024902344	164.0
206.15354919433594	192.0
206.75523376464844	180.0
207.1041259765625	144.0
207.41845703125	128.0
208.65794372558594	120.0
209.21221923828125	180.0
209.27842712402344	168.0
209.3605499267578	128.0
209.43524169921875	156.0
210.8939208984375	172.0
210.96328735351562	144.0
211.25711059570312	172.0
211.64317321777344	148.0
211.94850158691406	156.0
212.73036193847656	164.0
212.93362426757812	140.0
212.97506713867188	148.0
213.01785278320312	144.0
213.11080932617188	128.0
213.22303771972656	240.0
213.47125244140625	176.0
213.7013397216797	116.0
214.02120971679688	220.0
214.1117706298828	160.0
214.1988525390625	172.0
214.29498291015625	168.0
214.34744262695312	172.0
214.98904418945312	180.0
215.3101043701172	156.0
215.44154357910156	156.0
215.51165771484375	164.0
215.63731384277344	168.0
215.72207641601562	140.0
215.8185577392578	168.0
215.98171997070312	136.0
216.42984008789062	192.0
216.55599975585938	176.0
216.82919311523438	116.0
217.6017608642578	148.0
218.00650024414062	148.0
218.34336853027344	168.0
218.52574157714844	168.0
218.65794372558594	108.0
219.4829864501953	140.0
219.53607177734375	172.0
219.60733032226562	148.0
220.035888671875	172.0
220.53799438476562	228.0
220.69949340820312	144.0
221.11363220214844	192.0
221.37416076660156	152.0
221.5814971923828	196.0
222.06170654296875	144.0
222.10693359375	136.0
222.43556213378906	148.0
222.4627685546875	120.0
222.5127410888672	152.0
223.01991271972656	148.0
223.2080078125	184.0
223.37753295898438	204.0
223.8209686279297	176.0
224.00860595703125	152.0
224.17247009277344	164.0
224.6231689453125	188.0
224.98672485351562	176.0
225.54832458496094	140.0
225.5961456298828	164.0
225.670654296875	148.0
226.17347717285156	188.0
226.46690368652344	172.0
226.51907348632812	128.0
226.76351928710938	144.0
226.79649353027344	140.0
226.99435424804688	196.0
227.8144073486328	164.0
229.4904022216797	104.0
229.76016235351562	164.0
229.80836486816406	132.0
229.88519287109375	144.0
230.02099609375	164.0
230.04690551757812	172.0
230.4589080810547	148.0
231.26632690429688	160.0
231.995849609375	124.0
232.17221069335938	176.0
232.39060974121094	144.0
233.3108367919922	176.0
234.03224182128906	140.0
234.11715698242188	160.0
234.4897918701172	252.0
234.5188751220703	168.0
234.62294006347656	160.0
234.781982421875	128.0
235.3490753173828	256.0
235.37960815429688	188.0
236.02740478515625	248.0
236.88693237304688	136.0
237.15090942382812	140.0
237.199951171875	152.0
237.88162231445312	164.0
237.94754028320312	156.0
238.74624633789062	96.0
239.00270080566406	144.0
239.1381072998047	184.0
239.83419799804688	168.0
240.20420837402344	140.0
240.61094665527344	180.0
240.88021850585938	172.0
241.06996154785156	156.0
241.5592803955078	124.0
241.93324279785156	100.0
242.14222717285156	536.0
242.7681884765625	164.0
244.72268676757812	168.0
244.88461303710938	140.0
245.50018310546875	104.0
245.6763458251953	128.0
246.02777099609375	100.0
246.1527557373047	200.0
246.3818817138672	180.0
246.93772888183594	136.0
247.3231201171875	200.0
247.52496337890625	144.0
248.2598876953125	148.0
248.3759307861328	224.0
248.51988220214844	104.0
248.799560546875	148.0
249.11839294433594	152.0
249.3932647705078	208.0
249.82090759277344	180.0
250.0535125732422	212.0
250.65928649902344	168.0
250.70249938964844	188.0
251.04824829101562	172.0
251.1012725830078	212.0
251.16281127929688	160.0
251.48779296875	172.0
251.71194458007812	144.0
251.7340545654297	152.0
252.57156372070312	148.0
253.06198120117188	132.0
253.54989624023438	160.0
253.86521911621094	124.0
254.03736877441406	124.0
254.87130737304688	184.0
255.14804077148438	124.0
255.50840759277344	176.0
255.6458740234375	152.0
255.9514617919922	192.0
256.13299560546875	156.0
256.1903381347656	160.0
256.2233581542969	108.0
256.66839599609375	188.0
257.3639831542969	148.0
257.4626770019531	128.0
257.7377014160156	144.0
257.8079833984375	192.0
257.8367614746094	152.0
258.0509338378906	172.0
258.2875671386719	152.0
259.0558166503906	152.0
259.4852600097656	152.0
259.6936950683594	140.0
260.1011962890625	264.0
262.71343994140625	188.0
262.9479064941406	168.0
263.0529479980469	168.0
263.0997314453125	132.0
263.5285949707031	324.0
263.6044616699219	148.0
264.0707702636719	180.0
264.5293273925781	112.0
264.56585693359375	164.0
264.67645263671875	100.0
265.07110595703125	156.0
265.1521301269531	188.0
265.54766845703125	164.0
265.6130676269531	188.0
266.51177978515625	168.0
266.7945556640625	192.0
267.11322021484375	144.0
267.4320983886719	188.0
267.5743408203125	208.0
267.7674560546875	152.0
267.8456115722656	192.0
267.9922180175781	156.0
268.2790222167969	180.0
268.3963928222656	152.0
268.59857177734375	152.0
269.4669494628906	208.0
270.9751892089844	172.0
271.67022705078125	168.0
272.3119201660156	116.0
272.7933044433594	220.0
273.4050598144531	140.0
274.1277770996094	148.0
274.2218322753906	140.0
274.2547912597656	172.0
274.7098388671875	160.0
275.1718444824219	148.0
276.7476501464844	196.0
277.10003662109375	152.0
277.3187255859375	144.0
277.57342529296875	140.0
277.710205078125	108.0
277.7744445800781	192.0
278.1558837890625	184.0
278.2641296386719	204.0
278.67559814453125	176.0
278.742431640625	160.0
278.99169921875	200.0
279.08148193359375	152.0
279.2044982910156	156.0
280.249755859375	236.0
280.5463562011719	200.0
280.8331298828125	156.0
280.906494140625	148.0
281.2354431152344	164.0
281.3536682128906	244.0
281.3904113769531	140.0
281.7310485839844	148.0
281.8346252441406	152.0
282.2724914550781	144.0
282.5634765625	140.0
283.06219482421875	180.0
283.14935302734375	140.0
283.3871154785156	148.0
283.5211486816406	204.0
283.77215576171875	156.0
283.8563537597656	144.0
284.436767578125	148.0
285.115234375	148.0
285.17706298828125	140.0
285.7460021972656	168.0
286.1983947753906	140.0
286.22869873046875	140.0
286.3465576171875	152.0
286.4139099121094	212.0
286.6023864746094	144.0
287.1192932128906	600.0
287.3814392089844	156.0
288.1270751953125	300.0
288.35931396484375	104.0
288.42840576171875	168.0
288.7585754394531	160.0
288.8078308105469	136.0
289.0303039550781	168.0
289.11627197265625	120.0
289.8734436035156	176.0
290.1392822265625	148.0
290.3175354003906	148.0
290.4496765136719	100.0
290.4983215332031	132.0
290.6126403808594	200.0
291.4988708496094	152.0
292.0087890625	156.0
292.6349182128906	176.0
293.026611328125	268.0
293.2992248535156	144.0
294.0172119140625	136.0
294.7974853515625	160.0
294.8692626953125	148.0
295.38262939453125	136.0
295.5463562011719	172.0
295.59222412109375	108.0
295.9810485839844	152.0
297.3179626464844	196.0
297.7127380371094	148.0
298.4515380859375	144.0
298.7989196777344	152.0
298.87115478515625	140.0
298.9537658691406	168.0
299.2428894042969	168.0
299.3083190917969	152.0
299.4322814941406	140.0
299.8112487792969	180.0
300.3215026855469	168.0
300.6388854980469	144.0
300.6914978027344	180.0
301.2989501953125	124.0
301.4988098144531	212.0
302.74420166015625	172.0
302.8244323730469	116.0
302.8584899902344	152.0
302.9242858886719	220.0
302.9520263671875	172.0
302.9992980957031	208.0
303.03851318359375	116.0
303.1356506347656	156.0
305.0445251464844	168.0
305.4478759765625	152.0
306.2484436035156	140.0
306.3808288574219	144.0
306.88616943359375	216.0
306.9197692871094	144.0
307.3570556640625	144.0
307.4319763183594	136.0
307.5001220703125	140.0
307.7444763183594	192.0
307.795166015625	156.0
307.8911437988281	176.0
307.981689453125	160.0
308.55743408203125	128.0
309.0912170410156	160.0
309.2686462402344	188.0
309.38653564453125	224.0
309.7882080078125	236.0
309.95855712890625	152.0
310.4503173828125	292.0
310.722900390625	160.0
311.0823059082031	224.0
311.12579345703125	100.0
311.2774658203125	196.0
311.3582458496094	144.0
311.8855895996094	132.0
311.9496765136719	232.0
313.1287536621094	156.0
313.75445556640625	160.0
314.0944519042969	132.0
314.3406982421875	192.0
314.5051574707031	128.0
315.09588623046875	124.0
315.17327880859375	176.0
315.3711853027344	140.0
315.4892272949219	200.0
315.67523193359375	176.0
315.7858581542969	168.0
316.1103210449219	144.0
316.18463134765625	144.0
316.69091796875	172.0
317.0806579589844	180.0
317.1799011230469	140.0
317.54510498046875	140.0
317.65350341796875	128.0
317.7117919921875	156.0
318.4252624511719	148.0
318.56298828125	124.0
319.1118469238281	152.0
319.4382629394531	156.0
319.5378723144531	176.0
319.9822082519531	104.0
320.620361328125	160.0
321.5491638183594	228.0
321.62255859375	152.0
321.897705078125	172.0
322.04315185546875	120.0
322.2358703613281	140.0
322.3975830078125	156.0
322.8265380859375	184.0
323.3631896972656	156.0
324.17254638671875	368.0
324.89678955078125	148.0
325.16949462890625	168.0
326.0853271484375	140.0
326.380126953125	176.0
326.6678466796875	180.0
327.80194091796875	144.0
327.93890380859375	212.0
328.1263427734375	176.0
328.26336669921875	140.0
328.3462829589844	140.0
328.5385437011719	188.0
328.8333435058594	172.0
328.9969787597656	132.0
329.08966064453125	152.0
329.8302307128906	144.0
330.1080322265625	132.0
331.5703125	140.0
332.1548767089844	160.0
332.2528381347656	148.0
332.5213317871094	152.0
333.13134765625	204.0
333.2257995605469	180.0
333.472900390625	140.0
333.71282958984375	200.0
333.8085021972656	164.0
333.8582763671875	140.0
334.8481750488281	196.0
335.09222412109375	148.0
335.3545837402344	180.0
335.4457092285156	164.0
336.0511169433594	152.0
336.135009765625	148.0
336.3256530761719	120.0
336.3977966308594	144.0
337.1741638183594	140.0
337.2603759765625	112.0
337.5340270996094	200.0
337.83465576171875	104.0
337.9479064941406	124.0
338.58062744140625	224.0
338.6407470703125	156.0
339.2364807128906	140.0
339.4051208496094	152.0
339.5994873046875	244.0
340.1999816894531	176.0
340.3544921875	164.0
340.78521728515625	156.0
340.96282958984375	132.0
342.0686950683594	152.0
342.4248962402344	108.0
342.8089904785156	172.0
343.3693542480469	196.0
344.4212341308594	148.0
344.66876220703125	144.0
344.9200744628906	144.0
345.69305419921875	176.0
345.72265625	148.0
345.9225158691406	200.0
346.1647644042969	140.0
346.34832763671875	144.0
346.40020751953125	156.0
346.6410217285156	188.0
347.08953857421875	140.0
347.6505432128906	168.0
347.9132080078125	140.0
348.1099853515625	148.0
348.135986328125	192.0
348.38043212890625	200.0
349.6639099121094	152.0
350.1502380371094	216.0
350.4347229003906	172.0
350.5721740722656	180.0
350.6844177246094	168.0
351.8209228515625	152.0
351.9273986816406	144.0
352.1357421875	152.0
352.2179260253906	304.0
352.3081970214844	96.0
352.4996032714844	112.0
352.7609558105469	132.0
352.8756408691406	160.0
352.94293212890625	192.0
353.5152587890625	204.0
353.6612243652344	188.0
353.9505920410156	120.0
353.9789123535156	224.0
354.3848571777344	140.0
354.4803466796875	144.0
355.20733642578125	164.0
355.41131591796875	140.0
355.60552978515625	196.0
355.6536865234375	236.0
355.710205078125	372.0
355.77593994140625	160.0
355.82867431640625	252.0
355.89739990234375	292.0
355.93505859375	116.0
356.0222473144531	144.0
356.0773620605469	112.0
356.1083068847656	120.0
356.161865234375	140.0
356.2223205566406	148.0
356.29644775390625	160.0
356.3671875	324.0
356.4244079589844	132.0
356.5032958984375	220.0
356.5350036621094	180.0
356.61285400390625	100.0
356.6435546875	224.0
356.7005920410156	324.0
356.74212646484375	224.0
356.7755432128906	344.0
356.81134033203125	212.0
356.8368835449219	220.0
356.8971862792969	364.0
356.9337158203125	364.0
356.9699401855469	244.0
356.9797058105469	260.0
356.99591064453125	224.0
357.0110168457031	200.0
357.02978515625	268.0
357.0741882324219	212.0
357.13543701171875	280.0
357.1785583496094	356.0
357.2205505371094	376.0
357.2611389160156	272.0
357.3343505859375	364.0
357.38409423828125	556.0
357.4416198730469	176.0
357.5007019042969	380.0
357.5340270996094	200.0
357.5615234375	788.0
357.5978698730469	284.0
357.64715576171875	524.0
357.70306396484375	612.0
357.7779235839844	384.0
357.8053894042969	188.0
357.8125305175781	252.0
357.8468017578125	216.0
357.88067626953125	420.0
357.9310607910156	512.0
357.98095703125	392.0
357.9909362792969	544.0
358.0267333984375	852.0
358.1250305175781	241760.0
358.2686767578125	180.0
358.3840637207031	224.0
358.42547607421875	296.0
358.476806640625	1924.0
358.53948974609375	540.0
358.5972900390625	1512.0
358.6339111328125	468.0
358.6982116699219	2488.0
358.75592041015625	8568.0
358.8692932128906	376.0
358.9396667480469	288.0
359.0401306152344	608.0
359.0472106933594	580.0
359.06524658203125	1164.0
359.12725830078125	175080.0
359.38134765625	464.0
359.45953369140625	296.0
359.500244140625	168.0
359.54345703125	104.0
359.6823425292969	436.0
359.74639892578125	1912.0
359.8332824707031	148.0
359.9534606933594	232.0
360.01806640625	308.0
360.1230773925781	66952.0
360.245361328125	208.0
360.4163513183594	272.0
360.4567565917969	116.0
360.5872497558594	100.0
360.6209716796875	96.0
360.7073669433594	260.0
360.80035400390625	216.0
360.8272399902344	252.0
360.9326477050781	312.0
360.9661560058594	160.0
361.1239013671875	5940.0
361.19342041015625	228.0
361.2017822265625	284.0
361.2400207519531	320.0
361.28082275390625	280.0
361.34942626953125	352.0
361.4163513183594	396.0
361.45489501953125	440.0
361.5003356933594	308.0
361.54425048828125	384.0
361.59283447265625	608.0
361.65765380859375	208.0
361.7304992675781	156.0
361.7602844238281	232.0
361.89337158203125	96.0
361.92462158203125	132.0
362.04144287109375	164.0
362.1374816894531	212.0
362.2934265136719	168.0
362.36260986328125	436.0
362.4394836425781	212.0
362.47283935546875	184.0
362.6076354980469	212.0
362.761474609375	180.0
362.84918212890625	136.0
362.88677978515625	132.0
363.1783752441406	144.0
363.2580261230469	128.0
363.42669677734375	140.0
363.467041015625	108.0
363.5531921386719	164.0
363.5846862792969	132.0
363.63134765625	124.0
363.7276306152344	104.0
364.06854248046875	104.0
364.437744140625	112.0
364.6247253417969	112.0
365.8553161621094	104.0
369.4112243652344	124.0
371.0421447753906	140.0
371.3246154785156	112.0
371.5491027832031	152.0
372.4082336425781	184.0
373.1139221191406	96.0
373.2306213378906	148.0
373.94500732421875	164.0
374.3363952636719	112.0
376.197998046875	108.0
376.9541931152344	164.0
381.7813720703125	104.0
401.20123291015625	176.0
413.5892639160156	100.0
422.10906982421875	144.0
446.6383972167969	144.0
459.0234680175781	160.0
459.6192626953125	144.0
466.62646484375	152.0
508.5555419921875	136.0
516.5050048828125	156.0
521.1063232421875	140.0
535.0005493164062	148.0
548.2918701171875	100.0
575.8677978515625	148.0
637.6294555664062	148.0
748.359130859375	268.0
766.6272583007812	144.0
821.9370727539062	176.0
932.121337890625	228.0
939.4945068359375	224.0
966.92431640625	180.0
991.506103515625	160.0
1024.2415771484375	228.0
1077.478515625	208.0
1085.88330078125	228.0
1089.9993896484375	148.0
1106.9853515625	148.0
1122.534912109375	164.0
1129.6278076171875	252.0
1136.830322265625	212.0
1143.7662353515625	236.0
1147.9703369140625	164.0
1151.222900390625	180.0
1154.189453125	208.0
1160.282958984375	156.0
1165.753662109375	160.0
1168.4122314453125	140.0
1168.5618896484375	156.0
1176.754150390625	192.0
1177.758056640625	172.0
1183.16015625	176.0
1189.30224609375	156.0
1190.00244140625	212.0
1196.017578125	180.0
1203.71142578125	188.0
1222.2537841796875	144.0
1225.700439453125	156.0
1226.9481201171875	236.0
1233.9505615234375	168.0
1235.335205078125	204.0
1239.9354248046875	144.0
1242.4947509765625	176.0
1245.0638427734375	144.0
1254.9644775390625	160.0
1258.77001953125	160.0
1260.7528076171875	168.0
1261.85546875	140.0
1271.701904296875	180.0
1272.4117431640625	208.0
1273.6402587890625	148.0
1281.94287109375	228.0
1282.5416259765625	180.0
1283.9818115234375	164.0
1284.7449951171875	144.0
1291.6241455078125	220.0
1292.18212890625	148.0
1295.525390625	152.0
1297.4029541015625	156.0
1299.303466796875	212.0
1313.1143798828125	156.0
1319.8519287109375	204.0
1323.1439208984375	156.0
1325.9544677734375	216.0
1330.3499755859375	176.0
1333.6331787109375	160.0
1343.0987548828125	168.0
1352.0269775390625	184.0
1360.7130126953125	148.0
1363.886474609375	176.0
1368.3812255859375	180.0
1370.1708984375	144.0
1371.1361083984375	204.0
1375.450927734375	148.0
1377.149169921875	148.0
1378.2646484375	172.0
1386.7528076171875	140.0
1391.129150390625	168.0
1392.86669921875	152.0
1401.09423828125	148.0
1401.302734375	168.0
1402.1746826171875	140.0
1412.5306396484375	192.0
1416.54296875	160.0
1416.6253662109375	184.0
1427.4781494140625	140.0
1430.5101318359375	152.0
1433.8543701171875	172.0
1437.428955078125	212.0
1439.115234375	140.0
1444.735107421875	140.0
1455.8770751953125	156.0
1457.0987548828125	124.0
1462.92529296875	148.0
1467.160888671875	180.0
1471.7156982421875	172.0
1472.143310546875	216.0
1476.9505615234375	160.0
1478.0445556640625	164.0
1479.138916015625	224.0
1480.9766845703125	140.0
1487.0106201171875	176.0
1489.590576171875	180.0
1494.35693359375	256.0
1495.24951171875	160.0
1497.744140625	208.0
1501.0272216796875	148.0
1502.276611328125	184.0
1504.0592041015625	256.0
1505.45654296875	172.0
1506.7310791015625	140.0
1509.6759033203125	160.0
1509.962158203125	192.0
1513.754150390625	240.0
1514.72998046875	168.0
1520.529541015625	204.0
1527.343505859375	152.0
1527.6138916015625	192.0
1538.088623046875	152.0
1538.5570068359375	164.0
1539.5787353515625	120.0
1541.5797119140625	148.0
1544.6533203125	160.0
1546.1859130859375	148.0
1547.2425537109375	144.0
1551.2225341796875	160.0
1554.327880859375	180.0
1557.0284423828125	196.0
1557.978759765625	192.0
1559.67529296875	140.0
1560.8553466796875	180.0
1568.153076171875	212.0
1572.7987060546875	196.0
1575.0333251953125	204.0
1575.15966796875	140.0
1576.03662109375	160.0
1582.158203125	180.0
1586.2774658203125	168.0
1587.17333984375	192.0
1589.9656982421875	140.0
1591.473876953125	224.0
1593.1734619140625	220.0
1593.6580810546875	164.0
1594.3255615234375	180.0
1597.4661865234375	228.0
1597.7606201171875	204.0
1598.3175048828125	140.0
1598.7073974609375	156.0
1599.678466796875	180.0
1600.681640625	156.0
1601.5576171875	140.0
1602.178955078125	168.0
1602.29052734375	164.0
1602.8402099609375	200.0
1604.195556640625	176.0
1608.710205078125	156.0
1610.8902587890625	172.0
1612.4163818359375	196.0
1614.87890625	160.0
1615.078857421875	236.0
1618.64013671875	248.0
1623.0462646484375	176.0
1626.59326171875	240.0
1627.68505859375	172.0
1628.705078125	212.0
1634.8233642578125	208.0
1636.8116455078125	172.0
1643.3485107421875	176.0
1647.797119140625	156.0
1648.4434814453125	224.0
1651.3538818359375	152.0
1651.5238037109375	212.0
1653.7244873046875	188.0
1654.8902587890625	200.0
1656.7772216796875	140.0
1658.77880859375	144.0
1659.9544677734375	216.0
1663.6785888671875	240.0
1663.8489990234375	164.0
1666.4642333984375	160.0
1667.4068603515625	176.0
1667.561279296875	144.0
1669.650634765625	144.0
1671.9366455078125	148.0
1672.5145263671875	180.0
1673.9393310546875	144.0
1674.9002685546875	152.0
1677.6953125	172.0
1677.7850341796875	144.0
1682.157470703125	148.0
1683.9049072265625	176.0
1684.2152099609375	232.0
1684.2886962890625	140.0
1684.4112548828125	164.0
1687.6883544921875	212.0
1689.11962890625	224.0
1689.4713134765625	160.0
1689.6759033203125	220.0
1690.9769287109375	212.0
1691.7381591796875	188.0
1691.94287109375	184.0
1693.1876220703125	140.0
1696.8338623046875	168.0
1700.41845703125	196.0
1704.1383056640625	244.0
1704.34375	156.0
1706.332763671875	144.0
1707.4017333984375	156.0
1707.6319580078125	184.0
1709.9686279296875	148.0
1712.8668212890625	192.0
1712.94921875	200.0
1715.2481689453125	168.0
1716.26220703125	160.0
1717.0704345703125	148.0
1718.24169921875	140.0
1720.5029296875	180.0
1721.006591796875	212.0
1721.14697265625	168.0
1723.459716796875	228.0
1725.6417236328125	232.0
1725.79052734375	176.0
1728.1395263671875	144.0
1728.776611328125	200.0
1730.1258544921875	200.0
1732.2706298828125	156.0
1733.07421875	228.0
1733.5880126953125	156.0
1738.505615234375	160.0
1739.123046875	128.0
1739.572265625	328.0
1739.6842041015625	164.0
1740.605712890625	164.0
1741.610595703125	168.0
1742.6324462890625	212.0
1744.2862548828125	144.0
1747.78076171875	184.0
1748.8277587890625	160.0
1749.310546875	204.0
1750.77587890625	192.0
1751.6754150390625	152.0
1754.1419677734375	176.0
1756.2725830078125	144.0
1756.6185302734375	168.0
1758.0118408203125	168.0
1758.929931640625	160.0
1760.023681640625	176.0
1765.538818359375	172.0
1766.450439453125	160.0
1767.1197509765625	152.0
1767.287109375	208.0
1767.6134033203125	208.0
1768.174072265625	184.0
1768.742919921875	192.0
1771.624755859375	104.0
1771.824951171875	156.0
1773.3583984375	168.0
1781.53125	176.0
1783.53955078125	168.0
1785.2210693359375	260.0
1785.68359375	164.0
1786.1209716796875	144.0
1786.852783203125	164.0
1787.2650146484375	144.0
1788.34228515625	144.0
1789.150390625	172.0
1790.0849609375	156.0
1790.5986328125	196.0
1792.4266357421875	204.0
1792.8564453125	168.0
1794.095458984375	188.0
1797.02197265625	184.0
1797.190673828125	164.0
1798.9207763671875	148.0
1799.0980224609375	168.0
1801.6568603515625	252.0
1802.5186767578125	200.0
1803.2708740234375	224.0
1803.5159912109375	144.0
1804.44580078125	144.0
1805.8748779296875	176.0
1807.1776123046875	160.0
1810.1824951171875	140.0
1811.0040283203125	148.0
1811.690185546875	152.0
1813.2322998046875	224.0
1813.910400390625	200.0
1814.7666015625	164.0
1815.5382080078125	176.0
1815.7841796875	176.0
1817.323486328125	136.0
1819.169677734375	196.0
1819.2716064453125	148.0
1821.91259765625	140.0
1825.6524658203125	192.0
1826.3924560546875	192.0
1828.255615234375	184.0
1830.0687255859375	152.0
1830.5797119140625	172.0
1831.1417236328125	172.0
1831.388671875	140.0
1833.015869140625	168.0
1834.268798828125	156.0
1834.4051513671875	160.0
1835.0189208984375	172.0
1836.6904296875	196.0
1836.971923828125	236.0
1839.15625	156.0
1841.33349609375	160.0
1843.43505859375	180.0
1843.94775390625	160.0
1844.5888671875	168.0
1845.691650390625	192.0
1846.1278076171875	192.0
1846.6409912109375	204.0
1847.2139892578125	196.0
1847.530517578125	160.0
1851.0654296875	156.0
1851.33935546875	160.0
1852.769775390625	160.0
1852.85546875	140.0
1853.129638671875	144.0
1858.7972412109375	156.0
1858.8917236328125	164.0
1861.747802734375	112.0
1861.9736328125	180.0
1862.274169921875	244.0
1862.9097900390625	216.0
1866.0294189453125	172.0
1866.665771484375	144.0
1870.33935546875	172.0
1871.9664306640625	176.0
1872.1129150390625	276.0
1873.189453125	216.0
1874.0079345703125	160.0
1875.8349609375	196.0
1876.561767578125	216.0
1877.0333251953125	180.0
1880.130859375	168.0
1892.4481201171875	208.0
1896.04296875	216.0
1896.5196533203125	140.0
1896.59765625	252.0
1897.7159423828125	168.0
1898.7391357421875	156.0
1902.3052978515625	196.0
1902.669921875	228.0
1907.6129150390625	204.0
1909.0126953125	156.0
1909.3258056640625	176.0
1909.751953125	148.0
1910.195556640625	168.0
1910.45654296875	220.0
1910.73486328125	140.0
1914.8260498046875	140.0
1915.2005615234375	148.0
1916.1849365234375	148.0
1918.94775390625	164.0
1921.372314453125	188.0
1923.9598388671875	184.0
1926.3570556640625	144.0
1928.934814453125	160.0
1930.8846435546875	168.0
1931.0946044921875	224.0
1933.05419921875	152.0
1933.115478515625	192.0
1933.3955078125	144.0
1937.4932861328125	160.0
1939.8067626953125	152.0
1943.78857421875	144.0
1944.1395263671875	184.0
1945.6229248046875	172.0
1945.772216796875	152.0
1947.458251953125	152.0
1948.336669921875	156.0
1950.401611328125	192.0
1953.0042724609375	164.0
1954.869384765625	152.0
1956.1456298828125	164.0
1956.251220703125	148.0
1957.9329833984375	152.0
1958.4429931640625	188.0
1960.1441650390625	156.0
1960.3564453125	156.0
1962.277099609375	156.0
1962.894287109375	192.0
1963.176513671875	196.0
1963.308837890625	184.0
1965.6705322265625	244.0
1965.9818115234375	140.0
1968.321044921875	208.0
1969.6016845703125	184.0
1969.7076416015625	180.0
1970.8385009765625	176.0
1973.6353759765625	176.0
1977.01953125	152.0
1981.98388671875	264.0
1984.921142578125	140.0
1985.49755859375	244.0
1985.896728515625	180.0
1988.1204833984375	200.0
1991.275146484375	164.0
1991.9058837890625	148.0
1992.2344970703125	144.0
1992.8919677734375	152.0
1993.35400390625	144.0
1993.958251953125	188.0
1994.3582763671875	148.0
1996.2203369140625	168.0
1996.3408203125	180.0
1997.1590576171875	172.0
1997.230224609375	152.0
1997.5771484375	164.0
1999.22314453125	140.0
1999.77490234375	148.0
2003.17626953125	252.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078905
PEPMASS=431.071747
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=32.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=BICALUTAMIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F
INCHI=InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
INCHIAUX=LKJPYSCBVHEWIU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078905
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078905
SCANS=1646
53.55037307739258	152.0
53.88734436035156	160.0
58.97703170776367	144.0
59.765289306640625	148.0
67.00708770751953	152.0
70.9424057006836	176.0
71.7004623413086	156.0
71.91128540039062	188.0
75.58580017089844	164.0
77.77477264404297	168.0
78.17900085449219	156.0
81.56736755371094	168.0
85.89073944091797	168.0
87.6573715209961	192.0
90.4161148071289	184.0
93.3348617553711	148.0
95.02716827392578	420.0
96.03369140625	200.0
96.84565734863281	144.0
98.01850891113281	224.0
99.36103057861328	192.0
103.26936340332031	164.0
104.20387268066406	252.0
106.47947692871094	160.0
109.2430648803711	212.0
111.02104949951172	144.0
111.23033142089844	140.0
111.47605895996094	224.0
113.6128158569336	148.0
114.22673797607422	164.0
114.78900146484375	152.0
115.00383758544922	160.0
115.896240234375	148.0
117.39447784423828	140.0
120.9958267211914	1264.0
121.99309539794922	160.0
122.5234603881836	204.0
122.9887466430664	152.0
123.02940368652344	200.0
123.08588409423828	168.0
124.66752624511719	184.0
128.48300170898438	156.0
135.0694122314453	212.0
138.39266967773438	296.0
139.0513916015625	176.0
140.47964477539062	200.0
142.9976043701172	1908.0
143.99655151367188	172.0
144.1813507080078	164.0
145.08132934570312	140.0
148.02078247070312	156.0
149.14404296875	200.0
149.26316833496094	148.0
152.11187744140625	192.0
155.07177734375	200.0
156.28860473632812	156.0
158.9916229248047	5020.0
159.9932098388672	492.0
160.98658752441406	208.0
161.0064697265625	540.0
165.6790771484375	240.0
165.7866973876953	180.0
167.04161071777344	1312.0
167.9336700439453	212.0
168.03939819335938	160.0
168.05982971191406	152.0
175.02474975585938	140.0
177.0018310546875	168.0
180.8092803955078	200.0
181.79010009765625	156.0
183.23130798339844	280.0
184.77828979492188	168.0
185.0517120361328	688.0
186.42686462402344	192.0
186.94898986816406	148.0
187.04832458496094	15468.0
188.05055236816406	2036.0
189.05166625976562	180.0
189.2281951904297	184.0
204.7396697998047	188.0
205.06167602539062	168.0
209.0625	204.0
211.05287170410156	184.0
215.0443878173828	164.0
216.92222595214844	144.0
216.98086547851562	188.0
217.03378295898438	29300.0
217.2084197998047	160.0
217.77609252929688	176.0
218.00230407714844	168.0
218.03689575195312	2228.0
218.09181213378906	212.0
219.03147888183594	1020.0
219.26480102539062	180.0
222.2515106201172	260.0
224.65245056152344	220.0
227.0183868408203	128.0
229.01687622070312	160.0
237.06027221679688	220.0
255.07969665527344	148.0
258.0572814941406	176.0
295.99810791015625	160.0
301.0496520996094	176.0
319.1217041015625	144.0
334.6842346191406	240.0
357.94091796875	152.0
399.6280212402344	196.0
413.0538635253906	172.0
426.7711181640625	144.0
431.0135192871094	172.0
431.0671081542969	2816.0
431.7151794433594	184.0
431.8888854980469	256.0
432.0694885253906	920.0
433.065185546875	500.0
433.305419921875	124.0
434.4593505859375	120.0
449.0770263671875	152.0
1640.1466064453125	172.0
1910.5257568359375	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078906
PEPMASS=465.105499
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Isoquercitrin [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O
INCHI=InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
INCHIAUX=OVSQVDMCBVZWGM-QSOFNFLRSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078906
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078906
SCANS=1067
54.188724517822266	140.0
55.01820373535156	192.0
56.82952880859375	220.0
62.90589141845703	176.0
66.83935546875	172.0
67.23697662353516	216.0
68.69071197509766	184.0
69.54452514648438	176.0
70.17000579833984	220.0
75.08997344970703	144.0
82.17603302001953	152.0
97.02849578857422	476.0
101.64556884765625	152.0
109.0282211303711	356.0
111.01209259033203	156.0
119.01300811767578	184.0
124.4320297241211	264.0
127.03809356689453	1180.0
129.48883056640625	144.0
129.97622680664062	200.0
132.40631103515625	220.0
133.0185089111328	168.0
133.68731689453125	268.0
136.98204040527344	140.0
137.0250244140625	448.0
143.10072326660156	208.0
145.05050659179688	1092.0
145.57794189453125	144.0
146.05621337890625	192.0
149.02789306640625	176.0
152.6425018310547	236.0
153.02200317382812	932.0
153.09283447265625	144.0
154.02017211914062	160.0
156.8837890625	144.0
159.81655883789062	168.0
160.42855834960938	228.0
163.0380096435547	156.0
165.01779174804688	388.0
165.595947265625	176.0
166.0269012451172	332.0
175.28282165527344	196.0
177.01719665527344	124.0
177.052734375	140.0
183.02923583984375	164.0
183.43605041503906	176.0
183.7704620361328	212.0
184.11598205566406	140.0
186.0384063720703	192.0
187.044189453125	236.0
195.0296173095703	260.0
195.5079803466797	152.0
197.18966674804688	172.0
200.6874237060547	140.0
201.0517120361328	308.0
207.02993774414062	176.0
208.43267822265625	192.0
215.0443115234375	160.0
216.78732299804688	284.0
217.65921020507812	160.0
218.06394958496094	176.0
219.03196716308594	164.0
219.06399536132812	224.0
221.7828826904297	208.0
226.46377563476562	164.0
227.24917602539062	144.0
228.05398559570312	144.0
229.0483856201172	1172.0
230.1149444580078	124.0
234.5313720703125	168.0
239.44276428222656	196.0
245.0484161376953	140.0
245.92404174804688	104.0
247.05804443359375	404.0
248.06222534179688	220.0
249.0726318359375	172.0
252.77073669433594	176.0
257.0422058105469	384.0
257.43408203125	184.0
258.0482177734375	408.0
259.0524597167969	204.0
266.6611328125	164.0
266.7098693847656	140.0
271.1487121582031	176.0
273.0233154296875	160.0
274.0497741699219	280.0
275.0423278808594	168.0
276.11676025390625	248.0
282.1853942871094	176.0
284.69512939453125	144.0
285.0384216308594	596.0
285.79095458984375	144.0
300.2937316894531	148.0
300.4071350097656	100.0
300.7560729980469	172.0
301.0376892089844	240.0
301.2015075683594	156.0
301.75787353515625	172.0
301.8927307128906	168.0
301.9653625488281	200.0
302.03106689453125	156.0
302.43243408203125	460.0
302.4739685058594	184.0
302.8167419433594	156.0
302.8929443359375	188.0
302.9576416015625	160.0
303.0511474609375	80392.0
303.15472412109375	112.0
303.18963623046875	132.0
303.391845703125	164.0
303.51190185546875	108.0
303.60406494140625	156.0
303.91143798828125	136.0
303.95196533203125	192.0
304.05303955078125	14028.0
304.1254577636719	204.0
304.34771728515625	152.0
304.40106201171875	104.0
305.0533142089844	2108.0
305.3153076171875	112.0
305.6663513183594	104.0
306.0219421386719	156.0
306.05792236328125	168.0
306.1612243652344	156.0
306.2052917480469	116.0
306.2930603027344	140.0
306.51214599609375	124.0
307.2979736328125	132.0
308.02020263671875	180.0
316.8041076660156	144.0
332.6300354003906	152.0
345.0596923828125	152.0
369.06024169921875	108.0
428.7303161621094	152.0
448.1073303222656	144.0
463.2059326171875	148.0
465.09771728515625	488.0
466.1033020019531	192.0
538.3106689453125	144.0
816.5646362304688	164.0
1431.021240234375	208.0
1750.2586669921875	192.0
1793.5128173828125	188.0
1940.919189453125	232.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078907
PEPMASS=544.185486
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=35.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=DOXORUBICIN HYDROCHLORIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
INCHI=InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
INCHIAUX=AOJJSUZBOXZQNB-TZSSRYMLSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078907
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078907
SCANS=1102
48.72532653808594	172.0
49.587703704833984	152.0
49.6381721496582	164.0
52.61793518066406	180.0
53.05919647216797	160.0
54.54533004760742	152.0
56.489444732666016	232.0
58.90671920776367	148.0
60.8145866394043	172.0
61.73847579956055	160.0
61.868343353271484	200.0
64.30430603027344	172.0
66.27753448486328	156.0
69.41180419921875	188.0
69.65411376953125	144.0
69.92513275146484	184.0
70.15999603271484	144.0
71.37974548339844	232.0
71.92813110351562	224.0
80.16950225830078	192.0
82.17061614990234	144.0
84.16535949707031	168.0
84.56937408447266	180.0
84.78915405273438	188.0
86.06396484375	160.0
86.59099578857422	168.0
86.90984344482422	204.0
90.88224029541016	204.0
91.13667297363281	156.0
93.83928680419922	172.0
95.05016326904297	264.0
96.40542602539062	176.0
98.17025756835938	164.0
99.666748046875	216.0
101.10050201416016	140.0
104.07376861572266	212.0
109.46780395507812	164.0
112.0767593383789	1280.0
112.73619079589844	156.0
113.0601577758789	2272.0
114.06010437011719	320.0
120.8941879272461	148.0
121.0647201538086	452.0
121.71402740478516	168.0
127.00247955322266	148.0
129.6768798828125	140.0
130.01707458496094	168.0
130.0637969970703	176.0
130.08673095703125	13468.0
131.04714965820312	412.0
131.0653839111328	180.0
131.0880126953125	1268.0
131.91114807128906	116.0
133.02767944335938	144.0
133.53778076171875	164.0
135.04461669921875	588.0
142.5750274658203	200.0
145.02679443359375	248.0
145.55633544921875	144.0
145.67161560058594	164.0
145.9984893798828	148.0
148.06024169921875	164.0
148.0971221923828	3380.0
148.58546447753906	168.0
149.10205078125	332.0
149.37741088867188	148.0
150.0988311767578	172.0
151.02877807617188	264.0
151.07525634765625	140.0
153.21104431152344	168.0
158.03260803222656	160.0
159.69076538085938	168.0
163.6868133544922	240.0
165.7071990966797	180.0
166.0384521484375	176.0
167.02670288085938	304.0
173.0251007080078	164.0
173.06178283691406	132.0
180.96713256835938	156.0
181.2483673095703	180.0
184.05490112304688	240.0
184.51046752929688	160.0
184.52938842773438	244.0
185.0267791748047	184.0
185.05697631835938	156.0
186.04925537109375	164.0
186.3507080078125	192.0
187.0414581298828	140.0
189.400634765625	168.0
199.8452606201172	156.0
203.02981567382812	144.0
205.0073699951172	168.0
210.3507537841797	144.0
214.3152618408203	140.0
214.75253295898438	156.0
216.2396697998047	156.0
217.05593872070312	144.0
218.0518341064453	136.0
218.08255004882812	192.0
220.3328857421875	168.0
221.58135986328125	156.0
222.07046508789062	160.0
223.07464599609375	192.0
224.40780639648438	156.0
228.8090057373047	220.0
231.0738983154297	168.0
231.95680236816406	168.0
233.05819702148438	152.0
237.0862274169922	196.0
237.7764434814453	184.0
238.08958435058594	164.0
239.66763305664062	192.0
240.1145782470703	264.0
242.37747192382812	244.0
243.0298614501953	208.0
246.07879638671875	156.0
246.884521484375	140.0
247.19467163085938	168.0
247.47950744628906	172.0
248.06179809570312	152.0
248.08729553222656	176.0
249.09715270996094	272.0
250.02842712402344	140.0
251.89181518554688	196.0
255.0446319580078	212.0
255.1495361328125	140.0
256.02410888671875	224.0
256.70013427734375	232.0
256.99359130859375	180.0
257.02044677734375	116.0
257.0439453125	164.0
261.0606384277344	144.0
261.0919189453125	148.0
262.0590515136719	200.0
262.9043273925781	188.0
263.08831787109375	200.0
263.4564514160156	144.0
264.0479736328125	192.0
265.0826110839844	332.0
268.5657958984375	176.0
269.09771728515625	192.0
269.3655090332031	144.0
270.41180419921875	184.0
271.3945617675781	144.0
272.2838439941406	144.0
274.0738220214844	160.0
275.06744384765625	312.0
275.1947937011719	168.0
277.08502197265625	248.0
278.0567626953125	256.0
278.09136962890625	136.0
279.0647277832031	224.0
280.7762451171875	140.0
281.7575988769531	184.0
282.7272644042969	144.0
283.4639892578125	172.0
286.0534362792969	148.0
286.2770080566406	260.0
287.0719909667969	468.0
287.1249084472656	168.0
288.0701904296875	248.0
289.4024658203125	168.0
289.9613952636719	168.0
290.05615234375	604.0
290.8907470703125	164.0
291.0688781738281	120.0
291.10125732421875	144.0
292.0732421875	164.0
292.75732421875	152.0
293.0812072753906	644.0
294.0768127441406	124.0
294.5854797363281	144.0
295.08624267578125	212.0
295.4982604980469	148.0
299.0602722167969	160.0
299.97650146484375	160.0
300.0419921875	208.0
301.0547790527344	168.0
301.1220397949219	168.0
302.056884765625	1140.0
303.0662536621094	808.0
304.0697937011719	356.0
305.0783996582031	708.0
305.6808166503906	188.0
306.0528869628906	4560.0
306.1333312988281	208.0
306.5862121582031	264.0
307.0556640625	1164.0
308.0646667480469	428.0
309.073974609375	132.0
310.0808410644531	156.0
310.4952087402344	144.0
311.78314208984375	220.0
315.0664978027344	660.0
316.0676574707031	308.0
317.09210205078125	324.0
317.8535461425781	160.0
318.047607421875	472.0
318.528076171875	148.0
319.05767822265625	156.0
320.067626953125	1144.0
320.5345153808594	124.0
320.591552734375	140.0
320.7989196777344	108.0
321.0192565917969	172.0
321.0765686035156	32048.0
321.22735595703125	132.0
321.3047790527344	188.0
321.5206604003906	112.0
321.8297424316406	100.0
321.8638916015625	100.0
321.92584228515625	180.0
322.0334777832031	188.0
322.0786437988281	5916.0
322.232666015625	124.0
322.8692626953125	160.0
323.0859375	1112.0
323.4453125	160.0
324.09027099609375	520.0
324.2547607421875	156.0
325.0798645019531	256.0
326.146240234375	196.0
327.0742492675781	168.0
327.6360168457031	196.0
328.4434814453125	152.0
330.6836242675781	184.0
330.7813415527344	196.0
331.06121826171875	428.0
332.06573486328125	308.0
333.0769348144531	5160.0
334.0819396972656	1104.0
335.07861328125	324.0
336.06121826171875	496.0
336.7189025878906	140.0
337.0736999511719	684.0
338.076904296875	316.0
339.09051513671875	276.0
341.04620361328125	164.0
341.1107177734375	136.0
343.0598449707031	616.0
344.06134033203125	136.0
344.82745361328125	164.0
345.2385559082031	164.0
345.8470458984375	96.0
346.0479431152344	12508.0
347.0514831542969	2320.0
348.0570373535156	496.0
349.0646057128906	464.0
349.2581787109375	208.0
350.0841064453125	104.0
351.0475769042969	168.0
351.0878601074219	804.0
352.06097412109375	232.0
353.0556945800781	140.0
355.50115966796875	204.0
358.2119445800781	140.0
359.0576171875	316.0
361.07061767578125	19400.0
361.1387023925781	284.0
361.19097900390625	160.0
362.0737609863281	4332.0
363.0779724121094	592.0
364.0565490722656	412.0
364.2063903808594	284.0
365.81585693359375	184.0
365.9072265625	196.0
366.0753173828125	284.0
367.07489013671875	148.0
368.0838928222656	104.0
370.09942626953125	144.0
376.25872802734375	184.0
377.0663146972656	5948.0
377.6015625	108.0
378.0696105957031	2072.0
378.4753112792969	144.0
378.5709228515625	144.0
379.0816650390625	21056.0
379.1839904785156	124.0
379.4543762207031	140.0
379.8323974609375	108.0
380.0836486816406	5708.0
380.661865234375	128.0
381.0838623046875	848.0
382.0833435058594	312.0
388.2591247558594	176.0
389.0634765625	268.0
392.2892761230469	160.0
393.058349609375	148.0
395.07843017578125	1684.0
395.3794860839844	128.0
395.4769592285156	144.0
395.6914367675781	132.0
396.08050537109375	788.0
396.68194580078125	132.0
396.76947021484375	148.0
396.82684326171875	128.0
396.87139892578125	148.0
396.9638977050781	96.0
397.0921325683594	39880.0
397.1829528808594	248.0
397.22027587890625	108.0
397.2513122558594	176.0
397.3549499511719	104.0
397.4264221191406	112.0
397.4733581542969	168.0
397.7560729980469	180.0
398.04217529296875	188.0
398.0950927734375	9096.0
398.1927185058594	100.0
398.5364990234375	124.0
398.5812072753906	104.0
399.0995788574219	1120.0
400.09722900390625	100.0
400.12591552734375	252.0
401.17706298828125	140.0
401.64361572265625	156.0
412.1136169433594	148.0
413.0848388671875	336.0
414.10491943359375	132.0
415.10870361328125	168.0
423.1114196777344	296.0
435.2164611816406	180.0
445.98638916015625	180.0
489.4901428222656	176.0
490.13250732421875	96.0
498.4923095703125	140.0
500.1521301269531	140.0
501.1420593261719	140.0
507.53814697265625	220.0
508.162353515625	280.0
508.20196533203125	152.0
509.1610412597656	104.0
516.5046997070312	168.0
526.1664428710938	764.0
527.1710205078125	436.0
541.7378540039062	196.0
544.0936889648438	148.0
544.1832275390625	1336.0
544.3505859375	132.0
545.18017578125	684.0
545.9522705078125	144.0
1567.238037109375	140.0
1829.420654296875	204.0
1872.6973876953125	184.0
1877.144287109375	152.0
1943.0416259765625	180.0
1960.4073486328125	196.0
1973.046875	164.0
2001.002197265625	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078908
PEPMASS=326.091248
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Midazolam Hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4-n12
INCHI=InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
INCHIAUX=DDLIGBOFAVUZHB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078908
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078908
SCANS=1131
44.98231887817383	164.0
45.00768280029297	180.0
46.58485412597656	160.0
46.63241195678711	168.0
46.93599319458008	212.0
47.44735336303711	160.0
47.80997848510742	192.0
47.89258575439453	152.0
48.106319427490234	156.0
48.427120208740234	220.0
48.94929885864258	156.0
49.247745513916016	184.0
49.291717529296875	236.0
49.328792572021484	172.0
49.72658920288086	152.0
50.20915985107422	140.0
50.51424789428711	176.0
50.54678726196289	176.0
50.780540466308594	140.0
50.838706970214844	204.0
51.118492126464844	172.0
51.25108337402344	204.0
51.79539489746094	148.0
51.81831741333008	288.0
51.838375091552734	168.0
51.86815643310547	176.0
52.089454650878906	176.0
52.23607635498047	144.0
52.71908187866211	152.0
52.953453063964844	148.0
53.073734283447266	192.0
53.3466796875	260.0
53.37430191040039	152.0
53.66988754272461	152.0
54.363529205322266	148.0
54.624778747558594	168.0
54.833194732666016	204.0
54.87071228027344	192.0
54.906185150146484	140.0
55.1585807800293	200.0
55.27690124511719	156.0
55.420528411865234	180.0
55.44275665283203	144.0
55.540611267089844	140.0
55.61479949951172	172.0
55.80643844604492	148.0
55.862953186035156	184.0
55.92374801635742	140.0
56.010318756103516	144.0
56.22502136230469	176.0
56.2569694519043	148.0
56.362403869628906	140.0
56.73208236694336	152.0
56.78306579589844	148.0
57.027793884277344	192.0
57.304683685302734	168.0
57.75426483154297	128.0
57.77421188354492	152.0
58.45698928833008	160.0
58.67784881591797	148.0
58.81514358520508	160.0
58.841094970703125	140.0
59.234527587890625	164.0
59.2846794128418	176.0
59.3122673034668	332.0
59.390464782714844	164.0
60.70963668823242	160.0
61.165916442871094	160.0
61.4838752746582	188.0
61.56193161010742	152.0
61.67129135131836	144.0
61.711936950683594	216.0
62.10029983520508	200.0
62.40180587768555	212.0
62.59691619873047	140.0
62.98173141479492	140.0
63.10499572753906	144.0
63.16508865356445	224.0
63.58655548095703	192.0
63.708778381347656	144.0
64.83692169189453	228.0
64.91614532470703	208.0
65.11929321289062	140.0
65.55850219726562	340.0
65.87800598144531	156.0
66.12016296386719	152.0
66.33268737792969	320.0
66.35051727294922	188.0
66.45431518554688	184.0
66.72229766845703	144.0
66.74784088134766	180.0
66.80058288574219	144.0
66.99081420898438	140.0
67.08492279052734	96.0
67.74226379394531	208.0
67.77503204345703	160.0
67.90473175048828	168.0
68.19185638427734	200.0
68.4946060180664	140.0
68.7402572631836	164.0
69.99010467529297	244.0
70.04556274414062	180.0
70.12504577636719	176.0
70.23008728027344	148.0
70.61758422851562	140.0
71.37223052978516	232.0
71.728271484375	116.0
71.79344177246094	148.0
71.83538055419922	204.0
71.85527801513672	156.0
71.94168853759766	148.0
72.07342529296875	220.0
72.11736297607422	144.0
72.15962982177734	152.0
72.19851684570312	144.0
72.52528381347656	184.0
72.77635192871094	152.0
72.99894714355469	144.0
73.044189453125	160.0
73.67390441894531	156.0
73.73712158203125	140.0
73.77301788330078	148.0
74.21700286865234	140.0
74.49894714355469	152.0
74.68699645996094	156.0
74.7420425415039	160.0
74.92799377441406	156.0
75.148681640625	236.0
75.18599700927734	180.0
75.45956420898438	180.0
75.65106201171875	144.0
75.9218978881836	160.0
75.95977020263672	172.0
76.49178314208984	148.0
76.55271911621094	152.0
76.7130126953125	140.0
76.94329071044922	164.0
77.19664764404297	160.0
77.37626647949219	164.0
77.51173400878906	140.0
77.55136108398438	216.0
77.60462951660156	160.0
78.39986419677734	132.0
78.7131576538086	172.0
78.89160919189453	184.0
79.0047836303711	144.0
79.04724884033203	172.0
79.08795166015625	152.0
79.16585540771484	212.0
79.2632827758789	152.0
79.40332794189453	200.0
79.64671325683594	140.0
80.36927795410156	140.0
80.7497787475586	180.0
80.99319458007812	204.0
81.18496704101562	164.0
81.5051498413086	164.0
81.75466918945312	160.0
81.94133758544922	196.0
82.19232940673828	180.0
82.91511535644531	208.0
83.17504119873047	140.0
83.29889678955078	212.0
83.39300537109375	148.0
83.46317291259766	180.0
83.69065856933594	116.0
83.90998077392578	140.0
83.9849853515625	156.0
84.0194091796875	156.0
84.129638671875	204.0
84.15489196777344	144.0
84.2215347290039	176.0
84.24212646484375	176.0
84.38643646240234	112.0
84.63899993896484	192.0
85.04415130615234	172.0
85.44107055664062	176.0
86.05479431152344	144.0
86.16224670410156	132.0
86.48209381103516	136.0
86.63736724853516	156.0
86.72074890136719	172.0
86.7467041015625	144.0
87.02169036865234	124.0
87.12712860107422	180.0
87.15499877929688	160.0
87.22562408447266	156.0
87.35206604003906	208.0
87.36695098876953	152.0
87.924072265625	164.0
88.09398651123047	168.0
88.18085479736328	164.0
88.60470581054688	144.0
88.70590209960938	192.0
88.7490234375	152.0
90.16602325439453	124.0
90.41615295410156	180.0
90.54985809326172	140.0
90.57708740234375	148.0
90.7135238647461	184.0
90.8519515991211	148.0
91.04745483398438	160.0
91.20895385742188	244.0
91.25228118896484	172.0
91.33634948730469	152.0
91.71145629882812	164.0
91.74576568603516	156.0
92.1420669555664	128.0
92.1746826171875	232.0
92.71868896484375	168.0
92.86248016357422	180.0
93.17827606201172	152.0
93.19650268554688	184.0
93.49332427978516	144.0
93.63124084472656	240.0
93.74105072021484	240.0
94.07858276367188	144.0
94.30458068847656	208.0
94.45926666259766	172.0
94.48828125	140.0
94.60650634765625	164.0
94.66442108154297	160.0
94.90940856933594	140.0
95.0133056640625	176.0
95.0596923828125	428.0
95.1396713256836	176.0
95.18113708496094	180.0
95.21711730957031	152.0
95.4227066040039	160.0
95.5749740600586	184.0
95.8902816772461	156.0
96.08917999267578	140.0
96.10283660888672	144.0
96.32734680175781	180.0
96.34716796875	164.0
96.48954772949219	148.0
96.93973541259766	160.0
97.02900695800781	132.0
97.21456909179688	132.0
97.53244018554688	140.0
97.61107635498047	148.0
97.65747833251953	236.0
97.89443969726562	148.0
98.17230224609375	164.0
98.58427429199219	332.0
98.62611389160156	116.0
98.8201904296875	156.0
99.38090515136719	168.0
99.53800201416016	136.0
99.76818084716797	156.0
99.79005432128906	184.0
99.81987762451172	168.0
99.91932678222656	168.0
100.1263427734375	300.0
100.2763442993164	180.0
100.66877746582031	184.0
101.16062927246094	148.0
101.29479217529297	216.0
101.45109558105469	148.0
101.61153411865234	140.0
101.72755432128906	148.0
102.04533386230469	472.0
102.0694808959961	188.0
102.09735870361328	176.0
102.12578582763672	172.0
102.36825561523438	192.0
102.5526351928711	152.0
102.76235961914062	140.0
103.04299926757812	156.0
103.05916595458984	200.0
103.12584686279297	148.0
103.20064544677734	172.0
103.6196060180664	252.0
103.98663330078125	148.0
104.04753112792969	140.0
104.55162048339844	144.0
104.75115966796875	148.0
104.87545013427734	244.0
104.95291900634766	152.0
105.02251434326172	160.0
105.05489349365234	156.0
105.14574432373047	236.0
105.28553771972656	180.0
105.38154602050781	224.0
105.39584350585938	172.0
105.80694580078125	176.0
105.89704895019531	252.0
106.03431701660156	348.0
106.05095672607422	168.0
106.1142578125	192.0
106.50167846679688	228.0
107.16452026367188	228.0
107.22221374511719	152.0
107.78765106201172	164.0
107.88040924072266	168.0
107.97370147705078	216.0
108.29656982421875	180.0
108.32763671875	216.0
108.5120849609375	212.0
108.73403930664062	140.0
109.0477523803711	160.0
109.12664031982422	140.0
109.15990447998047	152.0
109.33673095703125	196.0
109.41181945800781	212.0
109.48454284667969	292.0
110.00788879394531	180.0
110.05590057373047	160.0
110.52201080322266	264.0
110.89896392822266	152.0
111.00431060791016	176.0
111.13151550292969	204.0
111.18629455566406	176.0
111.22197723388672	172.0
111.3521499633789	176.0
111.80205535888672	208.0
111.96775817871094	96.0
112.257080078125	144.0
112.33704376220703	212.0
112.35832214355469	160.0
112.61163330078125	140.0
112.65176391601562	284.0
112.79545593261719	176.0
112.93923950195312	204.0
113.19978332519531	148.0
113.59744262695312	136.0
113.66802215576172	232.0
113.6998519897461	160.0
113.89442443847656	112.0
113.92279815673828	180.0
113.97803497314453	176.0
114.09867095947266	148.0
114.49922180175781	148.0
114.95329284667969	192.0
115.00593566894531	184.0
115.0493392944336	128.0
115.33985900878906	324.0
115.3764419555664	176.0
115.48953247070312	180.0
116.281005859375	168.0
116.37458801269531	148.0
116.54927825927734	120.0
116.79794311523438	156.0
117.17681884765625	144.0
117.62106323242188	144.0
117.6944580078125	176.0
117.95689392089844	144.0
118.31413269042969	144.0
118.44056701660156	176.0
118.65727233886719	192.0
118.72272491455078	108.0
119.19718170166016	160.0
119.96382904052734	172.0
119.99311065673828	140.0
120.13469696044922	96.0
120.15138244628906	252.0
120.18390655517578	176.0
120.39803314208984	232.0
121.04653930664062	376.0
121.67898559570312	156.0
121.85028839111328	200.0
122.0063247680664	160.0
122.04058074951172	280.0
122.08988189697266	172.0
122.12067413330078	176.0
122.1734619140625	184.0
122.65679931640625	184.0
123.5257339477539	152.0
124.10153198242188	148.0
124.20133209228516	184.0
124.33000946044922	256.0
124.61868286132812	200.0
124.69867706298828	180.0
125.25193786621094	116.0
125.43476867675781	164.0
125.6205062866211	188.0
125.72537231445312	144.0
125.81912231445312	148.0
125.86154174804688	152.0
125.96650695800781	144.0
126.4792251586914	220.0
126.6778564453125	204.0
126.88282012939453	148.0
127.03865814208984	156.0
127.09037017822266	160.0
127.29912567138672	156.0
127.33822631835938	156.0
127.41592407226562	144.0
127.86788940429688	424.0
127.9619369506836	144.0
128.0513458251953	696.0
128.39508056640625	140.0
128.4243927001953	148.0
128.64447021484375	104.0
128.9481964111328	168.0
129.05752563476562	1560.0
129.10418701171875	140.0
129.16526794433594	164.0
129.24217224121094	144.0
129.3666534423828	240.0
129.6296844482422	148.0
129.6951141357422	180.0
129.75404357910156	200.0
129.94192504882812	148.0
130.0614013671875	312.0
130.4100799560547	140.0
130.46917724609375	144.0
130.4987335205078	172.0
130.66476440429688	236.0
131.04953002929688	156.0
131.39028930664062	148.0
131.453125	160.0
131.5555419921875	156.0
132.04470825195312	192.0
132.1582794189453	176.0
132.2148895263672	384.0
132.45680236816406	208.0
132.47512817382812	148.0
132.59274291992188	132.0
132.7707977294922	160.0
132.94285583496094	156.0
133.05108642578125	500.0
133.26661682128906	148.0
133.92864990234375	128.0
133.97984313964844	164.0
134.0501708984375	296.0
134.08352661132812	164.0
134.2142333984375	188.0
134.47633361816406	164.0
134.86593627929688	168.0
135.27536010742188	140.0
135.3749237060547	152.0
135.5440216064453	156.0
135.68077087402344	212.0
136.00132751464844	104.0
136.05511474609375	176.0
136.1053466796875	172.0
136.12261962890625	108.0
136.17819213867188	220.0
136.4282989501953	224.0
136.80245971679688	176.0
136.875	276.0
136.93089294433594	140.0
137.01544189453125	256.0
137.12680053710938	236.0
137.23150634765625	152.0
137.34344482421875	200.0
137.48109436035156	172.0
137.8126678466797	172.0
137.90745544433594	100.0
138.01141357421875	128.0
138.38832092285156	136.0
138.59649658203125	144.0
138.77645874023438	160.0
138.80276489257812	156.0
138.84732055664062	156.0
138.87420654296875	96.0
138.97634887695312	144.0
139.00965881347656	328.0
139.24395751953125	180.0
139.3802032470703	152.0
139.7140655517578	148.0
140.0106964111328	156.0
140.07423400878906	160.0
140.29339599609375	148.0
140.38063049316406	164.0
140.9991455078125	204.0
141.0605926513672	160.0
141.15516662597656	152.0
141.3001708984375	172.0
141.64744567871094	172.0
141.8441162109375	164.0
142.06556701660156	356.0
142.34945678710938	148.0
142.619140625	180.0
142.7992706298828	160.0
143.0713348388672	300.0
143.1246337890625	164.0
143.46578979492188	132.0
143.5371856689453	180.0
143.65611267089844	148.0
143.7109832763672	204.0
143.72769165039062	144.0
143.85179138183594	152.0
144.06634521484375	180.0
144.1761474609375	160.0
144.55206298828125	148.0
144.7698974609375	232.0
144.87017822265625	148.0
145.04063415527344	180.0
145.5348358154297	204.0
145.55905151367188	140.0
145.66452026367188	184.0
145.68373107910156	192.0
145.7197723388672	180.0
146.0392608642578	264.0
146.38604736328125	172.0
146.61508178710938	200.0
146.70889282226562	256.0
146.73782348632812	196.0
147.04168701171875	116.0
147.0755615234375	152.0
147.2904510498047	160.0
147.39151000976562	116.0
147.41366577148438	204.0
147.44024658203125	200.0
147.5514373779297	192.0
147.64007568359375	140.0
147.68685913085938	184.0
147.70620727539062	184.0
147.802978515625	268.0
147.96998596191406	156.0
148.05628967285156	1032.0
148.29458618164062	188.0
148.5467529296875	180.0
148.6777801513672	144.0
148.80157470703125	188.0
149.0153045654297	144.0
149.0635223388672	180.0
149.16839599609375	144.0
149.24301147460938	156.0
149.34103393554688	200.0
149.78404235839844	184.0
149.8546905517578	164.0
149.96922302246094	200.0
150.02969360351562	232.0
150.09201049804688	120.0
150.2569580078125	144.0
150.3897705078125	192.0
150.42291259765625	216.0
151.04518127441406	304.0
151.36935424804688	148.0
151.45399475097656	112.0
151.80279541015625	156.0
152.02748107910156	912.0
152.0677490234375	148.0
152.37464904785156	192.0
152.65982055664062	172.0
153.02398681640625	156.0
153.04290771484375	416.0
153.24072265625	172.0
153.27029418945312	140.0
153.75856018066406	164.0
153.84120178222656	124.0
153.90914916992188	160.0
153.95359802246094	144.0
154.02305603027344	240.0
154.04991149902344	284.0
154.0721435546875	148.0
154.10072326660156	212.0
154.41326904296875	168.0
154.45204162597656	148.0
154.4874725341797	148.0
154.51608276367188	120.0
155.02235412597656	124.0
155.0633544921875	460.0
155.47360229492188	156.0
155.6190185546875	144.0
156.06741333007812	152.0
156.63719177246094	144.0
156.7891845703125	140.0
156.80662536621094	212.0
157.03076171875	120.0
157.1881866455078	196.0
157.412841796875	208.0
157.43032836914062	164.0
157.59268188476562	164.0
157.6426544189453	164.0
158.4282989501953	160.0
158.57614135742188	240.0
158.7992706298828	140.0
159.17068481445312	168.0
159.2108612060547	144.0
159.30882263183594	160.0
159.6984405517578	152.0
159.7814483642578	160.0
160.00039672851562	164.0
160.0586395263672	528.0
160.09303283691406	172.0
160.26988220214844	144.0
160.35740661621094	208.0
160.3858184814453	220.0
160.79945373535156	288.0
160.89285278320312	336.0
160.94839477539062	148.0
161.04315185546875	152.0
161.05979919433594	252.0
161.17066955566406	156.0
161.26670837402344	156.0
161.36529541015625	152.0
161.47654724121094	144.0
161.4942626953125	140.0
161.5392608642578	116.0
162.00946044921875	504.0
162.06570434570312	164.0
162.0946044921875	116.0
162.5177001953125	140.0
162.69789123535156	216.0
162.814697265625	160.0
163.0013427734375	332.0
163.02340698242188	296.0
163.07273864746094	204.0
163.114501953125	148.0
163.13113403320312	160.0
163.4578399658203	224.0
163.70220947265625	152.0
164.0264892578125	2484.0
164.06248474121094	488.0
164.4874725341797	140.0
164.56150817871094	172.0
164.74794006347656	168.0
164.8424835205078	200.0
165.01124572753906	272.0
165.0290069580078	616.0
165.07635498046875	204.0
165.31556701660156	156.0
165.35906982421875	156.0
165.4486541748047	176.0
165.4896240234375	148.0
165.61253356933594	192.0
165.63046264648438	248.0
165.77394104003906	144.0
166.02377319335938	580.0
166.21755981445312	152.0
166.4896697998047	148.0
167.01397705078125	192.0
167.0341796875	228.0
167.10914611816406	144.0
167.30474853515625	180.0
167.5835723876953	152.0
167.6336669921875	148.0
167.76072692871094	200.0
167.78675842285156	160.0
168.02635192871094	156.0
168.06671142578125	332.0
168.0985870361328	152.0
168.70864868164062	140.0
168.78311157226562	152.0
168.84695434570312	168.0
168.96157836914062	156.0
169.0421600341797	108.0
169.07705688476562	1184.0
169.15489196777344	176.0
169.178955078125	148.0
169.37197875976562	148.0
169.44052124023438	172.0
169.49652099609375	108.0
169.8137969970703	172.0
169.89151000976562	192.0
169.94476318359375	96.0
170.08375549316406	2504.0
170.5277862548828	164.0
170.56031799316406	200.0
170.64996337890625	180.0
170.6863555908203	144.0
170.70716857910156	156.0
170.80079650878906	176.0
170.83200073242188	148.0
171.00894165039062	160.0
171.05580139160156	156.0
171.08961486816406	420.0
171.2054443359375	148.0
171.40841674804688	168.0
171.42823791503906	152.0
171.52830505371094	172.0
171.56565856933594	188.0
171.70718383789062	164.0
171.73587036132812	168.0
172.03855895996094	224.0
172.24224853515625	144.0
172.39378356933594	164.0
172.43812561035156	140.0
172.47218322753906	152.0
172.9586944580078	152.0
173.05186462402344	416.0
173.2379608154297	148.0
173.43017578125	196.0
173.63607788085938	120.0
173.91915893554688	168.0
174.01275634765625	176.0
174.05917358398438	504.0
174.1911163330078	168.0
174.38818359375	164.0
174.42733764648438	156.0
174.79931640625	132.0
174.8905487060547	176.0
175.07786560058594	216.0
175.24342346191406	164.0
175.32510375976562	164.0
175.48854064941406	164.0
176.02430725097656	488.0
176.3793487548828	156.0
176.5526885986328	184.0
176.6214599609375	140.0
176.70175170898438	192.0
176.9469451904297	144.0
177.0249481201172	184.0
177.0580596923828	108.0
177.4264678955078	312.0
177.5994873046875	148.0
177.8429412841797	152.0
177.91195678710938	240.0
177.94381713867188	164.0
178.0120086669922	176.0
178.03970336914062	296.0
178.1323699951172	152.0
178.158935546875	156.0
178.33493041992188	152.0
178.665771484375	172.0
179.036865234375	172.0
179.0797576904297	160.0
179.12722778320312	244.0
179.2311248779297	184.0
179.4547576904297	176.0
179.54835510253906	148.0
179.7377471923828	148.0
179.88113403320312	144.0
180.03587341308594	100.0
180.5177459716797	156.0
180.5444793701172	144.0
180.7584991455078	140.0
181.0500030517578	228.0
181.08677673339844	160.0
181.50241088867188	148.0
181.6318817138672	160.0
181.71595764160156	176.0
181.7899932861328	196.0
181.84115600585938	188.0
182.05348205566406	144.0
182.12844848632812	168.0
182.28427124023438	180.0
182.31114196777344	228.0
182.38726806640625	172.0
183.0603790283203	3980.0
183.43312072753906	148.0
183.50088500976562	188.0
183.7007598876953	176.0
183.96490478515625	188.0
183.99331665039062	160.0
184.06800842285156	2728.0
184.1497039794922	128.0
184.3214111328125	188.0
184.36465454101562	192.0
184.45265197753906	180.0
184.6420135498047	148.0
184.74588012695312	172.0
185.0782012939453	148.0
185.11940002441406	208.0
185.37767028808594	176.0
186.04718017578125	648.0
186.18077087402344	144.0
186.5791473388672	160.0
186.6117706298828	140.0
186.7586212158203	164.0
186.80758666992188	140.0
186.84567260742188	156.0
187.01614379882812	148.0
187.06494140625	616.0
187.1287078857422	176.0
187.2757568359375	160.0
187.30844116210938	164.0
187.61093139648438	220.0
187.6818084716797	176.0
187.71180725097656	208.0
187.7936248779297	140.0
188.07444763183594	412.0
188.21661376953125	148.0
188.4214630126953	164.0
188.47610473632812	164.0
189.02183532714844	3424.0
189.08189392089844	1912.0
189.17422485351562	200.0
189.20828247070312	256.0
189.6062774658203	192.0
189.87493896484375	228.0
190.0255584716797	612.0
190.09002685546875	820.0
190.45130920410156	144.0
190.72500610351562	184.0
191.01780700683594	1120.0
191.09152221679688	144.0
191.53131103515625	148.0
191.61328125	160.0
191.68553161621094	212.0
191.85791015625	96.0
192.01681518554688	140.0
192.0835723876953	164.0
192.21258544921875	168.0
192.254638671875	188.0
192.29734802246094	200.0
192.39263916015625	168.0
192.4325408935547	176.0
192.48927307128906	168.0
192.55718994140625	128.0
192.70472717285156	160.0
192.7627410888672	144.0
192.8424835205078	136.0
192.9822540283203	176.0
193.0681610107422	232.0
193.20236206054688	140.0
193.4652557373047	144.0
193.68898010253906	152.0
193.74496459960938	156.0
193.8280792236328	172.0
194.05148315429688	240.0
194.07493591308594	292.0
194.12745666503906	168.0
194.16905212402344	168.0
194.35769653320312	168.0
194.39376831054688	160.0
194.62986755371094	136.0
194.7457275390625	144.0
194.88523864746094	152.0
194.95849609375	120.0
195.04920959472656	204.0
195.0793914794922	760.0
195.2047576904297	164.0
195.30027770996094	148.0
196.06881713867188	2220.0
196.20724487304688	156.0
196.34263610839844	180.0
196.8075714111328	120.0
196.89366149902344	240.0
197.0049285888672	340.0
197.0523223876953	192.0
197.0745086669922	260.0
197.3258514404297	192.0
198.07154846191406	640.0
198.2572479248047	164.0
198.33456420898438	204.0
198.3585662841797	128.0
198.44381713867188	160.0
198.91519165039062	180.0
199.03134155273438	244.0
199.07484436035156	156.0
199.17913818359375	144.0
199.25779724121094	196.0
199.59226989746094	140.0
199.7666473388672	164.0
200.0729217529297	116.0
200.1283721923828	196.0
200.2944793701172	124.0
200.50929260253906	180.0
200.94712829589844	148.0
201.02853393554688	208.0
201.05726623535156	128.0
202.0170135498047	180.0
202.06637573242188	580.0
202.1479034423828	208.0
202.57260131835938	176.0
202.78794860839844	144.0
203.03587341308594	712.0
203.07119750976562	604.0
203.10079956054688	152.0
203.12535095214844	156.0
203.214111328125	308.0
203.4034423828125	188.0
203.52635192871094	136.0
204.0213623046875	176.0
204.0446014404297	272.0
204.07789611816406	272.0
204.24452209472656	164.0
204.2758026123047	148.0
204.46644592285156	184.0
204.62869262695312	140.0
204.714111328125	156.0
204.75241088867188	124.0
205.05316162109375	3180.0
205.26943969726562	100.0
205.3521270751953	160.0
205.52365112304688	140.0
206.04678344726562	212.0
206.1837615966797	160.0
206.23109436035156	116.0
206.29476928710938	168.0
206.3872528076172	136.0
206.50921630859375	172.0
206.56356811523438	152.0
206.70242309570312	164.0
206.72950744628906	148.0
206.760986328125	148.0
206.7957000732422	136.0
206.88978576660156	184.0
207.0511932373047	836.0
207.16757202148438	180.0
207.1953887939453	152.0
207.53564453125	196.0
207.639404296875	176.0
207.71908569335938	152.0
207.775390625	208.0
207.8441925048828	164.0
207.92926025390625	188.0
208.05551147460938	6616.0
208.13983154296875	176.0
208.29620361328125	180.0
208.34950256347656	184.0
208.80078125	156.0
209.01600646972656	152.0
209.06387329101562	33412.0
209.12112426757812	244.0
209.16537475585938	128.0
209.18914794921875	264.0
209.19696044921875	260.0
209.2535400390625	152.0
209.33282470703125	200.0
209.6822509765625	140.0
209.79415893554688	168.0
210.00466918945312	212.0
210.0374755859375	156.0
210.0677490234375	4436.0
210.1200408935547	156.0
210.39132690429688	168.0
210.6345672607422	132.0
210.83119201660156	180.0
210.92269897460938	208.0
210.96621704101562	140.0
211.0760498046875	304.0
211.14564514160156	136.0
211.25460815429688	132.0
211.28143310546875	148.0
211.31036376953125	176.0
211.56396484375	152.0
211.5977020263672	116.0
211.75843811035156	96.0
211.96762084960938	244.0
212.023681640625	152.0
212.07669067382812	272.0
212.4739227294922	148.0
212.71878051757812	156.0
212.90696716308594	172.0
213.03033447265625	204.0
213.18348693847656	196.0
213.27359008789062	184.0
213.5381622314453	172.0
213.79803466796875	148.0
213.85821533203125	144.0
213.9309844970703	172.0
213.98046875	168.0
214.0780487060547	2428.0
214.10684204101562	120.0
214.42845153808594	164.0
214.66397094726562	200.0
214.8256072998047	200.0
214.94277954101562	128.0
215.0386199951172	276.0
215.0852508544922	2076.0
215.15829467773438	176.0
215.41819763183594	160.0
215.7338104248047	168.0
215.9443359375	172.0
216.04269409179688	548.0
216.08526611328125	504.0
216.14462280273438	120.0
216.48695373535156	172.0
216.99815368652344	160.0
217.0218048095703	1288.0
217.67019653320312	140.0
217.8378448486328	140.0
217.9671173095703	172.0
218.02352905273438	700.0
218.0917205810547	180.0
218.23275756835938	100.0
218.4345703125	224.0
219.03370666503906	464.0
219.22361755371094	140.0
219.28945922851562	188.0
219.93734741210938	204.0
220.02044677734375	288.0
220.07395935058594	208.0
220.4870147705078	148.0
220.9124755859375	180.0
221.02859497070312	256.0
221.06622314453125	124.0
221.07815551757812	212.0
221.1541290283203	108.0
221.4541473388672	172.0
221.5341339111328	144.0
221.605712890625	124.0
221.66448974609375	140.0
221.87789916992188	172.0
221.99465942382812	200.0
222.07115173339844	7412.0
222.54544067382812	144.0
222.61669921875	168.0
222.97616577148438	216.0
223.07887268066406	7904.0
223.1342010498047	168.0
223.3805389404297	176.0
223.48736572265625	220.0
223.59912109375	184.0
223.6821746826172	116.0
223.73936462402344	180.0
223.883544921875	168.0
224.02467346191406	1012.0
224.08169555664062	736.0
224.5943145751953	140.0
224.8375244140625	156.0
224.86737060546875	196.0
225.02593994140625	132.0
225.09107971191406	128.0
225.22267150878906	152.0
225.34812927246094	156.0
225.410888671875	140.0
225.6608123779297	188.0
225.7696075439453	140.0
225.82643127441406	172.0
225.882568359375	172.0
225.9969482421875	140.0
226.02133178710938	236.0
226.0657501220703	2444.0
226.210205078125	184.0
226.70361328125	220.0
226.8909454345703	136.0
227.07298278808594	2536.0
227.15335083007812	148.0
227.52845764160156	176.0
227.55715942382812	200.0
227.6305389404297	180.0
227.86782836914062	152.0
228.07777404785156	256.0
228.14431762695312	148.0
228.1748504638672	156.0
228.22850036621094	172.0
228.4942169189453	172.0
229.03639221191406	168.0
229.0764923095703	1320.0
229.24722290039062	204.0
229.29714965820312	148.0
229.58958435058594	204.0
229.981201171875	180.0
230.0482177734375	3956.0
230.4038543701172	208.0
230.4710235595703	144.0
230.62806701660156	112.0
230.69467163085938	176.0
230.92965698242188	140.0
231.05149841308594	2564.0
231.08682250976562	688.0
231.35452270507812	164.0
231.5812530517578	164.0
232.04136657714844	1512.0
232.21014404296875	112.0
232.3178253173828	232.0
232.36334228515625	228.0
232.42442321777344	144.0
232.5137939453125	116.0
232.73968505859375	168.0
232.8155975341797	156.0
232.92190551757812	160.0
233.00392150878906	144.0
233.0514373779297	792.0
233.16258239746094	176.0
233.27134704589844	164.0
233.3139190673828	172.0
233.35353088378906	132.0
233.46987915039062	208.0
233.62010192871094	152.0
233.72146606445312	152.0
234.03321838378906	764.0
234.06822204589844	248.0
234.12548828125	176.0
234.19332885742188	164.0
234.3547821044922	168.0
234.47972106933594	108.0
234.51324462890625	176.0
234.83642578125	144.0
235.0814971923828	288.0
235.20867919921875	160.0
235.45294189453125	152.0
235.59344482421875	168.0
235.8073272705078	220.0
235.84095764160156	156.0
235.8858642578125	228.0
236.08099365234375	824.0
236.1558837890625	240.0
236.20481872558594	148.0
236.38417053222656	160.0
236.71286010742188	196.0
236.82688903808594	172.0
237.02708435058594	152.0
237.06324768066406	216.0
237.09371948242188	500.0
237.134765625	188.0
237.42845153808594	164.0
237.75048828125	124.0
237.86563110351562	148.0
237.9300994873047	188.0
238.0150604248047	172.0
238.04525756835938	876.0
238.06654357910156	1596.0
238.34947204589844	148.0
238.53219604492188	224.0
238.88583374023438	140.0
238.99351501464844	200.0
239.0410614013672	132.0
239.0813446044922	160.0
239.12582397460938	156.0
239.4706573486328	140.0
239.49530029296875	148.0
240.03634643554688	264.0
240.16415405273438	200.0
240.3231964111328	272.0
240.5498504638672	176.0
240.735107421875	180.0
240.9729461669922	148.0
241.02304077148438	188.0
241.08108520507812	156.0
241.15835571289062	172.0
241.19329833984375	144.0
241.23062133789062	168.0
241.5077362060547	208.0
241.5622100830078	124.0
241.6902618408203	200.0
241.75213623046875	140.0
241.77999877929688	152.0
242.01776123046875	696.0
242.09080505371094	196.0
242.42999267578125	148.0
242.47372436523438	184.0
242.57290649414062	156.0
242.65660095214844	204.0
242.74525451660156	128.0
242.91253662109375	116.0
243.0224151611328	260.0
243.09092712402344	1716.0
243.15911865234375	192.0
243.22430419921875	188.0
243.70877075195312	292.0
243.8641357421875	208.0
243.89212036132812	264.0
243.91636657714844	236.0
243.99159240722656	212.0
244.03285217285156	42908.0
244.0934295654297	224.0
244.31582641601562	180.0
244.3431396484375	104.0
244.398681640625	144.0
244.73101806640625	132.0
244.81924438476562	296.0
245.03778076171875	5540.0
245.10418701171875	220.0
245.5404052734375	212.0
245.5672149658203	332.0
245.64207458496094	144.0
245.71694946289062	160.0
245.93226623535156	144.0
246.03054809570312	8824.0
246.07640075683594	284.0
246.1976318359375	156.0
246.31520080566406	100.0
246.50563049316406	152.0
246.53341674804688	140.0
246.66880798339844	196.0
246.78689575195312	132.0
246.90907287597656	136.0
247.0343017578125	1464.0
247.11036682128906	144.0
247.1679229736328	112.0
247.72084045410156	180.0
248.00509643554688	100.0
248.0835418701172	424.0
248.32382202148438	152.0
248.56263732910156	96.0
248.6953887939453	180.0
248.73184204101562	164.0
248.8417510986328	120.0
248.95346069335938	224.0
249.0830535888672	34232.0
249.17935180664062	96.0
249.41722106933594	172.0
249.50645446777344	240.0
249.7476043701172	128.0
249.79312133789062	316.0
250.0895538330078	21052.0
250.1769561767578	128.0
250.2797088623047	120.0
250.42950439453125	244.0
250.60308837890625	128.0
250.6486053466797	104.0
250.7154541015625	124.0
250.79708862304688	144.0
251.09500122070312	4112.0
251.36390686035156	204.0
251.5913543701172	136.0
251.7548828125	164.0
251.79246520996094	104.0
251.87620544433594	156.0
251.972412109375	124.0
252.0563201904297	264.0
252.0948028564453	260.0
252.11810302734375	300.0
252.44625854492188	188.0
252.5083465576172	160.0
252.593994140625	104.0
252.7084503173828	108.0
252.7614288330078	148.0
252.87535095214844	144.0
253.07505798339844	312.0
253.59228515625	144.0
253.6884307861328	184.0
253.8042449951172	180.0
254.0481719970703	148.0
254.073486328125	220.0
254.44606018066406	188.0
254.62567138671875	156.0
254.86050415039062	156.0
255.03297424316406	176.0
255.07029724121094	3776.0
255.2292022705078	140.0
255.54266357421875	160.0
255.926025390625	168.0
256.0315856933594	188.0
256.07037353515625	640.0
256.3592224121094	168.0
256.4404602050781	124.0
256.55047607421875	188.0
256.7066955566406	168.0
256.88531494140625	172.0
257.0384216308594	1772.0
257.2784423828125	184.0
257.3472595214844	96.0
257.6776123046875	108.0
257.82720947265625	240.0
257.91668701171875	172.0
257.9485168457031	168.0
258.04827880859375	12540.0
258.25469970703125	124.0
258.8812255859375	104.0
259.0496520996094	2500.0
259.22125244140625	148.0
259.3153991699219	148.0
259.6183166503906	164.0
259.6905212402344	188.0
260.0438537597656	4116.0
260.10443115234375	220.0
260.2528381347656	124.0
260.5508117675781	140.0
260.67108154296875	120.0
260.8320617675781	176.0
260.8648986816406	108.0
260.9332580566406	156.0
261.0453186035156	720.0
261.0846862792969	164.0
261.1243896484375	172.0
261.5347900390625	140.0
261.7263488769531	300.0
262.0349426269531	176.0
262.08819580078125	472.0
262.14349365234375	144.0
262.2372131347656	144.0
262.43035888671875	156.0
262.4980773925781	208.0
262.60772705078125	156.0
262.795654296875	108.0
262.87225341796875	160.0
263.0303955078125	144.0
263.09814453125	2404.0
263.6085205078125	140.0
263.69879150390625	180.0
263.7289123535156	248.0
263.8541564941406	144.0
263.9286193847656	152.0
263.9543762207031	164.0
264.0470275878906	376.0
264.102783203125	740.0
264.23577880859375	176.0
264.4590759277344	300.0
264.84112548828125	168.0
264.8638000488281	180.0
265.0522766113281	5708.0
265.1083679199219	324.0
265.151611328125	236.0
265.2812194824219	300.0
265.3417053222656	184.0
265.4420471191406	276.0
265.4937438964844	144.0
265.5612487792969	132.0
265.6395263671875	128.0
265.6853942871094	160.0
266.059814453125	892.0
266.1095886230469	152.0
266.3656311035156	200.0
266.42633056640625	156.0
266.4598388671875	200.0
266.63531494140625	140.0
266.75787353515625	136.0
267.05108642578125	1396.0
267.1978454589844	180.0
267.26837158203125	160.0
267.52508544921875	116.0
267.5721130371094	208.0
267.6942138671875	144.0
268.0324401855469	1076.0
268.2334289550781	160.0
268.3018798828125	268.0
268.4779357910156	152.0
268.6075439453125	168.0
268.65081787109375	164.0
268.8172302246094	164.0
268.9249267578125	148.0
269.0354309082031	568.0
269.1889953613281	144.0
269.4171447753906	172.0
269.5029296875	148.0
269.7141418457031	128.0
269.8330383300781	144.0
270.0306701660156	728.0
270.102783203125	3312.0
270.2129211425781	200.0
270.2500305175781	176.0
270.3694763183594	148.0
270.4480285644531	204.0
270.9195556640625	164.0
271.0419006347656	408.0
271.111083984375	2024.0
271.38165283203125	212.0
271.65264892578125	164.0
271.7752380371094	184.0
272.04888916015625	748.0
272.1131591796875	932.0
272.1629943847656	128.0
272.4033508300781	136.0
272.9018249511719	224.0
273.0616149902344	924.0
273.0803527832031	604.0
273.3199768066406	152.0
273.5268859863281	184.0
273.5795593261719	144.0
273.8363952636719	176.0
273.90228271484375	216.0
274.05279541015625	240.0
274.0896911621094	1468.0
274.1263122558594	160.0
274.37225341796875	168.0
274.5268249511719	172.0
274.64178466796875	312.0
274.7010803222656	108.0
274.9358825683594	152.0
275.0434265136719	252.0
275.0853271484375	480.0
275.2854919433594	120.0
275.4050598144531	112.0
275.7962341308594	160.0
275.82598876953125	180.0
276.0177307128906	248.0
276.0938720703125	1072.0
276.23272705078125	144.0
276.5575256347656	200.0
276.6189270019531	168.0
276.71917724609375	196.0
276.74237060546875	228.0
276.92120361328125	156.0
277.0515441894531	448.0
277.0946350097656	448.0
277.28564453125	152.0
277.3836975097656	140.0
277.6072082519531	140.0
277.9820556640625	236.0
278.0631408691406	184.0
278.10577392578125	112.0
278.3821105957031	156.0
278.8953552246094	172.0
278.9950866699219	176.0
279.0668029785156	440.0
279.3542175292969	156.0
279.72576904296875	104.0
279.9000549316406	240.0
280.0432434082031	144.0
280.0743103027344	304.0
280.5230712890625	148.0
280.6330871582031	148.0
280.789794921875	204.0
281.0648498535156	340.0
281.3251953125	176.0
281.45721435546875	156.0
281.6283264160156	184.0
281.747802734375	168.0
281.9430847167969	108.0
282.04766845703125	548.0
282.1247253417969	116.0
282.27099609375	280.0
282.551025390625	180.0
282.9421691894531	148.0
283.03875732421875	1200.0
283.15264892578125	272.0
283.2008972167969	132.0
283.3072814941406	168.0
283.5077819824219	180.0
284.0513916015625	4800.0
284.3344421386719	108.0
284.3795471191406	132.0
284.64495849609375	168.0
284.6919860839844	144.0
284.8855895996094	168.0
285.05902099609375	27048.0
285.13604736328125	404.0
285.28021240234375	104.0
285.54559326171875	176.0
285.6051330566406	108.0
285.6915588378906	100.0
285.9727478027344	160.0
286.0611572265625	5568.0
286.16278076171875	96.0
286.2354736328125	204.0
286.5082702636719	164.0
286.5554504394531	256.0
286.6117858886719	120.0
286.8992004394531	140.0
287.05657958984375	6776.0
287.2330322265625	268.0
288.0597229003906	1060.0
288.0916748046875	484.0
288.38916015625	172.0
288.4655456542969	144.0
288.9626770019531	180.0
289.0526123046875	2900.0
289.1001892089844	1268.0
289.1724853515625	192.0
289.30712890625	108.0
289.5042419433594	220.0
289.611328125	144.0
289.6681823730469	120.0
289.7718505859375	144.0
289.7989501953125	140.0
289.8955078125	176.0
289.9906311035156	120.0
290.0566101074219	904.0
290.10931396484375	25908.0
290.251708984375	128.0
290.43804931640625	108.0
290.4803771972656	144.0
290.5338134765625	180.0
290.6360778808594	228.0
290.6815490722656	240.0
290.7827453613281	136.0
290.8209228515625	116.0
290.84967041015625	272.0
290.9049987792969	500.0
290.9345703125	212.0
290.9808349609375	268.0
291.0145263671875	100.0
291.0530700683594	1272.0
291.1180725097656	199288.0
291.31390380859375	284.0
291.3974914550781	184.0
291.4344177246094	300.0
291.4903564453125	164.0
291.5251159667969	180.0
291.5566101074219	296.0
291.6771240234375	936.0
291.74786376953125	96.0
291.8132629394531	232.0
291.8987731933594	340.0
291.9410095214844	160.0
292.0599670410156	308.0
292.1205139160156	28368.0
292.23388671875	188.0
292.2873229980469	184.0
292.37762451171875	264.0
292.478759765625	140.0
292.5102844238281	204.0
292.57684326171875	104.0
292.7024230957031	168.0
292.7820129394531	132.0
292.82623291015625	288.0
292.96710205078125	204.0
293.1224670410156	2628.0
293.24371337890625	232.0
293.3087463378906	108.0
293.56768798828125	188.0
293.6044616699219	132.0
293.68182373046875	148.0
293.71575927734375	112.0
293.8477783203125	104.0
293.9433898925781	148.0
293.9812927246094	180.0
294.0274353027344	240.0
294.0526428222656	104.0
294.1259765625	316.0
294.2368469238281	104.0
294.4188537597656	156.0
294.6403503417969	164.0
294.70184326171875	164.0
294.73944091796875	216.0
294.8078918457031	308.0
294.8973693847656	192.0
294.9704284667969	156.0
295.02069091796875	136.0
295.09942626953125	180.0
295.13250732421875	144.0
295.1838073730469	248.0
295.21392822265625	204.0
295.2817077636719	96.0
295.5331115722656	344.0
295.95574951171875	180.0
296.1077880859375	152.0
296.13519287109375	156.0
296.2585144042969	180.0
296.2927551269531	176.0
296.3921203613281	164.0
296.5309143066406	136.0
296.9954833984375	152.0
297.059814453125	2568.0
297.2973937988281	192.0
297.91888427734375	144.0
298.0650634765625	1048.0
298.166259765625	204.0
298.34844970703125	176.0
298.4481506347656	140.0
298.4790954589844	144.0
298.6086730957031	152.0
299.0716857910156	3376.0
299.1499938964844	148.0
299.4254455566406	228.0
300.0298156738281	120.0
300.0753173828125	724.0
300.18359375	144.0
300.61041259765625	148.0
300.9979553222656	216.0
301.07098388671875	1216.0
301.31915283203125	144.0
301.882568359375	160.0
301.973876953125	100.0
302.0760803222656	268.0
302.15716552734375	112.0
302.370361328125	176.0
303.1634216308594	140.0
303.31591796875	152.0
303.44915771484375	184.0
303.79791259765625	140.0
303.8673095703125	188.0
304.0632629394531	184.0
304.1067199707031	184.0
304.7839050292969	176.0
304.8429870605469	140.0
304.93878173828125	148.0
305.07342529296875	488.0
305.2879333496094	152.0
305.6590576171875	268.0
305.7088623046875	144.0
305.76849365234375	156.0
305.85504150390625	168.0
306.0769958496094	2672.0
306.14202880859375	144.0
306.25079345703125	200.0
306.3395690917969	108.0
306.5018310546875	212.0
306.5585632324219	140.0
306.8164978027344	192.0
307.04339599609375	948.0
307.0805358886719	800.0
307.1884765625	216.0
307.7080383300781	204.0
308.0516052246094	408.0
308.07611083984375	988.0
308.5110778808594	164.0
308.83416748046875	168.0
309.0589904785156	11676.0
309.32757568359375	132.0
309.3780212402344	136.0
309.49273681640625	140.0
309.5840759277344	96.0
309.702880859375	224.0
309.76983642578125	168.0
309.92254638671875	128.0
310.06146240234375	2628.0
310.15179443359375	156.0
310.19342041015625	144.0
310.2520446777344	172.0
310.30999755859375	252.0
310.34417724609375	172.0
310.4248046875	228.0
310.5164489746094	112.0
310.55841064453125	172.0
310.88787841796875	172.0
311.0599060058594	5116.0
311.1756896972656	184.0
311.8583679199219	108.0
312.05987548828125	1152.0
312.2942810058594	176.0
312.3365173339844	208.0
312.50341796875	140.0
313.0146179199219	148.0
313.0589294433594	1256.0
313.419677734375	204.0
314.20599365234375	196.0
314.29058837890625	224.0
314.3856201171875	136.0
314.5835266113281	212.0
314.6831359863281	112.0
315.41387939453125	124.0
315.551513671875	164.0
316.3221130371094	160.0
317.2774353027344	176.0
317.7052001953125	160.0
318.1802978515625	140.0
318.3923034667969	136.0
318.724365234375	152.0
319.6944885253906	200.0
320.2748107910156	168.0
320.32110595703125	228.0
321.3004150390625	96.0
321.781005859375	108.0
322.0015563964844	136.0
322.1595458984375	108.0
322.2100830078125	156.0
322.4029235839844	156.0
322.54681396484375	140.0
322.6263732910156	152.0
322.86236572265625	148.0
323.04400634765625	200.0
323.1777038574219	128.0
323.307861328125	128.0
323.45013427734375	144.0
323.6235656738281	276.0
323.7255859375	128.0
323.75494384765625	136.0
323.7949523925781	116.0
323.8465576171875	108.0
323.9122314453125	148.0
324.0220947265625	260.0
324.06072998046875	320.0
324.152587890625	248.0
324.3705139160156	136.0
324.4118957519531	124.0
324.472900390625	112.0
324.5229797363281	268.0
324.5771484375	152.0
324.6327209472656	148.0
324.6605529785156	196.0
324.7055969238281	228.0
324.7663879394531	120.0
324.8269958496094	240.0
324.9242248535156	108.0
324.9664001464844	168.0
325.0771484375	5644.0
325.13232421875	268.0
325.1699523925781	1072.0
325.24493408203125	156.0
325.27191162109375	128.0
325.3022155761719	248.0
325.353271484375	152.0
325.4177551269531	120.0
325.5132141113281	216.0
325.5455322265625	396.0
325.6422119140625	164.0
325.666259765625	496.0
325.6923522949219	544.0
325.72216796875	484.0
325.7688903808594	380.0
325.7784729003906	396.0
325.7929382324219	308.0
325.81988525390625	188.0
325.8536376953125	400.0
325.9066162109375	632.0
325.93353271484375	756.0
325.9593200683594	904.0
326.0880432128906	295920.0
326.19195556640625	184.0
326.20684814453125	340.0
326.21759033203125	364.0
326.3431701660156	360.0
326.4231872558594	1952.0
326.4836120605469	592.0
326.53533935546875	932.0
326.57049560546875	172.0
326.6081848144531	176.0
326.6374206542969	1992.0
326.68548583984375	11252.0
326.7792053222656	148.0
326.8174743652344	236.0
326.8746643066406	248.0
326.90301513671875	148.0
326.97979736328125	428.0
327.03057861328125	888.0
327.0900573730469	132296.0
327.1525573730469	224.0
327.19622802734375	160.0
327.2624206542969	232.0
327.3117980957031	520.0
327.3467712402344	432.0
327.38238525390625	416.0
327.4375305175781	120.0
327.5000305175781	288.0
327.5423583984375	224.0
327.5556335449219	304.0
327.5885314941406	204.0
327.68115234375	368.0
327.7451477050781	320.0
327.7745056152344	220.0
327.8018493652344	128.0
327.8597717285156	224.0
327.91754150390625	244.0
327.9736022949219	288.0
328.08526611328125	180884.0
328.19525146484375	104.0
328.2841491699219	188.0
328.4251403808594	216.0
328.4637145996094	332.0
328.5242614746094	164.0
328.5669860839844	216.0
328.6353454589844	424.0
328.67742919921875	1712.0
328.71435546875	348.0
328.77252197265625	208.0
328.8319091796875	172.0
328.85797119140625	220.0
328.897216796875	232.0
328.9116516113281	120.0
328.92364501953125	324.0
328.97442626953125	368.0
329.0098571777344	340.0
329.0870666503906	27224.0
329.182373046875	336.0
329.2215881347656	320.0
329.2763671875	520.0
329.30938720703125	388.0
329.4126892089844	492.0
329.4656066894531	312.0
329.4931945800781	400.0
329.552734375	260.0
329.58990478515625	132.0
329.6221923828125	128.0
329.67852783203125	132.0
329.71234130859375	120.0
329.7622985839844	136.0
329.88275146484375	124.0
329.9563293457031	124.0
330.0258483886719	168.0
330.1008605957031	224.0
330.1737060546875	228.0
330.2121276855469	224.0
330.2622985839844	180.0
330.3664245605469	208.0
330.39361572265625	116.0
330.4349365234375	316.0
330.4802551269531	120.0
330.6492919921875	128.0
330.683349609375	112.0
330.78839111328125	160.0
330.9742126464844	116.0
331.0223693847656	112.0
331.14874267578125	116.0
331.1822509765625	112.0
331.2827453613281	204.0
331.3438720703125	220.0
331.4644775390625	152.0
331.4959716796875	300.0
331.5561218261719	148.0
331.67724609375	136.0
331.7691345214844	132.0
331.9487609863281	100.0
332.2048645019531	136.0
338.0279235839844	168.0
338.07659912109375	100.0
339.2972412109375	128.0
340.3408508300781	116.0
340.68402099609375	108.0
341.09027099609375	140.0
342.4017639160156	100.0
342.4449768066406	136.0
342.83685302734375	148.0
343.1149597167969	144.0
343.6551513671875	164.0
343.8960876464844	116.0
346.0541687011719	124.0
346.82745361328125	136.0
347.3296813964844	124.0
351.1654357910156	160.0
369.47637939453125	140.0
381.17022705078125	176.0
431.3721618652344	176.0
434.30035400390625	120.0
435.2998352050781	160.0
443.1876220703125	140.0
446.38677978515625	104.0
446.4912414550781	152.0
448.04443359375	144.0
467.0264587402344	144.0
492.3372802734375	152.0
502.3699035644531	108.0
548.775146484375	136.0
655.88623046875	148.0
693.0731201171875	144.0
842.8696899414062	172.0
941.4365844726562	124.0
1034.016845703125	148.0
1047.945068359375	196.0
1186.7435302734375	176.0
1210.5589599609375	200.0
1253.8438720703125	216.0
1340.53271484375	188.0
1362.7821044921875	116.0
1436.0711669921875	180.0
1501.66748046875	216.0
1584.56591796875	156.0
1595.3272705078125	184.0
1599.3443603515625	204.0
1605.9576416015625	168.0
1626.850341796875	152.0
1634.7752685546875	144.0
1637.576904296875	192.0
1640.969482421875	172.0
1652.57568359375	156.0
1665.229736328125	156.0
1683.66015625	152.0
1686.119140625	180.0
1697.572021484375	228.0
1698.6956787109375	180.0
1702.758544921875	184.0
1718.0687255859375	144.0
1729.80322265625	188.0
1748.245361328125	140.0
1761.861328125	212.0
1791.8026123046875	212.0
1801.310791015625	220.0
1817.778076171875	144.0
1819.14453125	232.0
1849.3448486328125	252.0
1859.69873046875	200.0
1873.95654296875	140.0
1875.47314453125	188.0
1902.5833740234375	144.0
1906.4398193359375	196.0
1911.34423828125	180.0
1927.1785888671875	208.0
1931.8646240234375	164.0
1957.5986328125	164.0
1966.7410888671875	200.0
1973.90869140625	180.0
1976.665771484375	152.0
1989.2864990234375	192.0
1998.7518310546875	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078909
PEPMASS=163.547546
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Midazolam Hydrochloride [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4-n12
INCHI=InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
INCHIAUX=DDLIGBOFAVUZHB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078909
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078909
SCANS=1132
48.24861145019531	240.0
49.70240783691406	104.0
50.542545318603516	160.0
54.5926628112793	244.0
57.840797424316406	172.0
61.92006301879883	232.0
68.71550750732422	216.0
70.67279052734375	152.0
70.9776382446289	140.0
82.55360412597656	264.0
83.59288024902344	212.0
86.42445373535156	212.0
88.5953369140625	160.0
95.0133056640625	168.0
95.04823303222656	340.0
95.54562377929688	208.0
96.03842163085938	284.0
97.53993225097656	320.0
98.04021453857422	144.0
100.01683807373047	140.0
102.0386962890625	336.0
102.76235961914062	180.0
103.02852630615234	392.0
103.04496765136719	160.0
103.52642822265625	188.0
104.03128814697266	236.0
108.0606918334961	144.0
108.54318237304688	184.0
111.03733825683594	144.0
112.47257995605469	140.0
113.0259780883789	224.0
114.5333023071289	348.0
115.04009246826172	204.0
115.5277328491211	196.0
115.96700286865234	148.0
116.5270767211914	240.0
116.94640350341797	160.0
119.06086730957031	140.0
120.02923583984375	236.0
121.05079650878906	224.0
121.74705505371094	148.0
121.96236419677734	168.0
122.0431900024414	556.0
122.54994201660156	248.0
123.0531234741211	196.0
124.03036499023438	192.0
124.99445343017578	176.0
125.04630279541016	372.0
126.0447006225586	208.0
126.53683471679688	180.0
127.04634094238281	268.0
127.54710388183594	304.0
128.05198669433594	224.0
128.5462188720703	176.0
129.02731323242188	204.0
129.05848693847656	604.0
130.04212951660156	180.0
130.06495666503906	220.0
131.0732421875	344.0
133.03045654296875	468.0
134.55177307128906	156.0
135.0519561767578	236.0
135.5540008544922	416.0
135.9451904296875	164.0
136.057373046875	600.0
136.1564483642578	140.0
136.2958221435547	232.0
136.55650329589844	200.0
137.01271057128906	132.0
137.0497283935547	196.0
137.54742431640625	352.0
137.63983154296875	164.0
138.0066680908203	348.0
138.05259704589844	212.0
139.56118774414062	208.0
140.00772094726562	148.0
140.0469207763672	512.0
141.0552215576172	176.0
141.54559326171875	172.0
142.83905029296875	168.0
143.03440856933594	252.0
143.539306640625	168.0
144.03326416015625	164.0
144.07798767089844	188.0
144.55804443359375	128.0
144.61428833007812	192.0
145.03160095214844	524.0
145.05197143554688	236.0
145.52720642089844	156.0
145.5556640625	660.0
145.74620056152344	212.0
146.0322723388672	192.0
146.06031799316406	1368.0
146.5615234375	192.0
147.0393524169922	140.0
149.0590362548828	144.0
150.00685119628906	196.0
150.0363311767578	128.0
151.54788208007812	188.0
152.04075622558594	288.0
153.03909301757812	156.0
153.54193115234375	980.0
153.57106018066406	236.0
154.0471649169922	424.0
154.54396057128906	484.0
155.03485107421875	536.0
155.05911254882812	556.0
156.0273895263672	168.0
156.5325927734375	376.0
157.53273010253906	148.0
162.00994873046875	996.0
163.0052947998047	256.0
163.05374145507812	768.0
163.12466430664062	164.0
163.14500427246094	152.0
163.48953247070312	168.0
163.5472869873047	36420.0
163.59527587890625	164.0
163.6691131591797	144.0
163.7420654296875	160.0
163.9633026123047	144.0
163.98910522460938	152.0
164.00743103027344	308.0
164.04795837402344	9604.0
164.09568786621094	160.0
164.15635681152344	124.0
164.2239532470703	128.0
164.31649780273438	152.0
164.4730987548828	120.0
164.5454559326172	12272.0
164.58470153808594	164.0
164.788818359375	228.0
165.04710388183594	2588.0
165.31236267089844	168.0
165.5459442138672	152.0
165.64584350585938	144.0
165.6945037841797	156.0
165.7274932861328	152.0
166.01856994628906	168.0
166.04513549804688	260.0
167.06890869140625	244.0
168.05824279785156	188.0
169.00164794921875	220.0
169.05430603027344	212.0
169.07510375976562	392.0
170.08383178710938	316.0
170.9855194091797	156.0
172.52708435058594	148.0
172.5527801513672	572.0
173.0529327392578	164.0
175.01954650878906	140.0
175.06430053710938	140.0
177.02015686035156	468.0
177.06243896484375	208.0
178.0217742919922	212.0
178.04470825195312	324.0
179.02069091796875	212.0
180.00424194335938	168.0
181.04595947265625	196.0
183.06187438964844	456.0
184.06068420410156	188.0
186.07382202148438	140.0
186.79942321777344	144.0
188.04736328125	140.0
189.02259826660156	640.0
189.08351135253906	268.0
190.02613830566406	396.0
190.07562255859375	232.0
191.02099609375	296.0
191.0423583984375	204.0
192.03184509277344	164.0
193.06129455566406	144.0
195.0743408203125	704.0
196.09109497070312	332.0
197.0806121826172	156.0
197.09524536132812	172.0
198.073974609375	164.0
199.03591918945312	240.0
202.06126403808594	500.0
203.0386505126953	188.0
203.0720672607422	420.0
204.05015563964844	316.0
205.05189514160156	1632.0
206.03334045410156	168.0
206.05911254882812	388.0
207.05079650878906	796.0
207.97332763671875	148.0
208.05271911621094	164.0
210.0778350830078	208.0
214.04452514648438	176.0
215.02403259277344	176.0
215.0890350341797	148.0
217.0176239013672	308.0
218.0293731689453	172.0
219.03211975097656	192.0
222.0676727294922	140.0
229.0350341796875	148.0
229.07472229003906	288.0
230.04676818847656	1016.0
231.05572509765625	1308.0
232.04833984375	172.0
233.0536346435547	420.0
234.0534210205078	132.0
236.06512451171875	184.0
238.0489044189453	176.0
239.0369873046875	156.0
240.04078674316406	156.0
241.04356384277344	140.0
244.0351104736328	180.0
248.087890625	152.0
250.0589599609375	180.0
251.05604553222656	144.0
253.05313110351562	272.0
258.0468444824219	208.0
261.0846252441406	296.0
262.0837097167969	292.0
263.09820556640625	164.0
264.0417175292969	212.0
265.0570983886719	180.0
273.060791015625	512.0
274.05938720703125	212.0
275.0532531738281	252.0
277.0511474609375	136.0
279.071533203125	184.0
281.0833740234375	140.0
285.0604248046875	440.0
287.0542907714844	152.0
289.0556335449219	120.0
297.0606689453125	148.0
299.0711364746094	124.0
306.0727233886719	144.0
309.0575256347656	248.0
311.05633544921875	160.0
313.074462890625	164.0
1364.357177734375	168.0
1399.716552734375	144.0
1686.7158203125	152.0
1726.4854736328125	184.0
1731.9395751953125	164.0
1916.490234375	144.0
1923.5892333984375	168.0
1933.1507568359375	160.0
1960.7789306640625	140.0
1961.1490478515625	188.0
1987.919677734375	224.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078910
PEPMASS=256.018616
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=IRSOGLADINE MALEATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Nc1nc(N)nc(n1)c2cc(Cl)ccc2Cl
INCHI=InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)
INCHIAUX=ATCGGEJZONJOCL-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078910
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078910
SCANS=1109
45.196144104003906	148.0
45.20719909667969	152.0
45.25369644165039	264.0
45.32736587524414	216.0
45.645328521728516	156.0
46.260738372802734	144.0
46.28510665893555	192.0
46.67998123168945	208.0
46.9864501953125	164.0
47.29254913330078	156.0
47.684814453125	156.0
47.82510757446289	204.0
49.27986526489258	148.0
49.622772216796875	144.0
49.69570541381836	148.0
50.09497833251953	168.0
50.22177505493164	172.0
50.423744201660156	140.0
51.054630279541016	144.0
52.01190185546875	144.0
52.06215286254883	164.0
53.012840270996094	160.0
53.516883850097656	176.0
53.5897102355957	156.0
53.60003662109375	232.0
53.65966796875	192.0
53.909271240234375	140.0
53.94288635253906	144.0
53.996986389160156	152.0
54.517433166503906	208.0
54.789642333984375	156.0
55.03446960449219	148.0
55.2354621887207	168.0
56.68260955810547	164.0
56.99321365356445	188.0
58.203121185302734	164.0
58.56201934814453	192.0
58.98468017578125	144.0
59.25645446777344	132.0
59.42766571044922	216.0
59.73299026489258	140.0
60.067256927490234	140.0
60.087310791015625	144.0
60.11817169189453	144.0
60.20771026611328	188.0
60.447322845458984	196.0
60.58357238769531	144.0
60.59751510620117	152.0
60.91399383544922	168.0
60.96060562133789	152.0
62.263511657714844	184.0
62.60484313964844	180.0
62.76866149902344	184.0
63.29326629638672	164.0
63.55004119873047	180.0
63.56591033935547	148.0
63.659568786621094	204.0
63.828006744384766	168.0
63.90594482421875	140.0
64.40332794189453	176.0
64.79364776611328	216.0
65.24943542480469	180.0
65.30529022216797	196.0
66.0832748413086	176.0
66.15447998046875	144.0
66.2127685546875	144.0
66.59959411621094	160.0
66.70602416992188	140.0
66.88007354736328	232.0
67.07238006591797	128.0
67.98162841796875	144.0
68.0423583984375	192.0
69.09713745117188	140.0
69.69401550292969	152.0
70.17837524414062	176.0
70.38861083984375	192.0
70.75645446777344	144.0
71.82355499267578	200.0
72.07942199707031	172.0
72.32369995117188	212.0
72.83407592773438	200.0
75.21942138671875	144.0
75.28675079345703	204.0
75.57772064208984	160.0
75.67259216308594	144.0
76.34909057617188	160.0
76.4395523071289	140.0
76.82111358642578	172.0
76.9548568725586	176.0
77.26834106445312	196.0
77.46090698242188	148.0
78.43614959716797	140.0
78.73963165283203	160.0
78.85623168945312	168.0
78.99415588378906	140.0
79.05607604980469	224.0
79.08793640136719	148.0
79.3394775390625	176.0
79.53815460205078	152.0
79.65179443359375	144.0
79.80107879638672	180.0
80.54242706298828	168.0
80.86150360107422	140.0
80.91796112060547	148.0
80.98601531982422	140.0
81.15446472167969	168.0
81.2136459350586	176.0
81.37335205078125	208.0
81.8066177368164	228.0
82.38188171386719	156.0
82.653076171875	156.0
83.10687255859375	160.0
83.28578186035156	164.0
83.65855407714844	172.0
83.68040466308594	180.0
83.79149627685547	200.0
83.8990249633789	192.0
84.01209259033203	208.0
84.38831329345703	192.0
84.7781982421875	148.0
85.07166290283203	164.0
85.99754333496094	144.0
86.02600860595703	116.0
86.90802764892578	248.0
86.98226165771484	180.0
87.04352569580078	156.0
88.3128662109375	112.0
90.16270446777344	168.0
90.41045379638672	144.0
90.72486877441406	240.0
90.9354248046875	164.0
91.01026916503906	168.0
92.25163269042969	224.0
92.26883697509766	204.0
93.60694885253906	152.0
94.38188171386719	208.0
94.4183349609375	136.0
94.95703125	152.0
95.13360595703125	176.0
95.49502563476562	160.0
95.68377685546875	144.0
95.97408294677734	172.0
96.17501831054688	156.0
96.30388641357422	212.0
96.95734405517578	224.0
98.05792999267578	140.0
98.08749389648438	144.0
98.63229370117188	232.0
98.82610321044922	148.0
98.87754821777344	188.0
99.09536743164062	152.0
99.5456314086914	156.0
99.73635864257812	156.0
100.01726531982422	268.0
100.14225006103516	236.0
100.98444366455078	112.0
100.99177551269531	108.0
101.24469757080078	144.0
101.48515319824219	224.0
101.8624496459961	200.0
101.9380111694336	184.0
102.28069305419922	148.0
102.31693267822266	208.0
102.45588684082031	188.0
103.19657897949219	180.0
103.26533508300781	148.0
103.43124389648438	180.0
103.60134887695312	164.0
104.01502227783203	180.0
104.56177520751953	140.0
104.70428466796875	144.0
104.92842864990234	172.0
105.00591278076172	180.0
106.29883575439453	248.0
106.48564910888672	172.0
107.51297760009766	144.0
107.72563934326172	180.0
108.52864074707031	168.0
108.59500122070312	160.0
108.97904205322266	212.0
109.42621612548828	156.0
109.72622680664062	172.0
110.04544067382812	456.0
110.14776611328125	144.0
111.88135528564453	232.0
111.9978256225586	160.0
112.17272186279297	176.0
112.20012664794922	168.0
112.5735855102539	140.0
112.80388641357422	164.0
112.98574829101562	160.0
113.03018188476562	156.0
113.137939453125	140.0
113.36264038085938	160.0
113.39654541015625	156.0
113.41773986816406	236.0
114.22003936767578	128.0
114.29483032226562	176.0
114.53327178955078	144.0
114.81460571289062	160.0
115.34410858154297	164.0
115.77442932128906	156.0
115.83198547363281	176.0
115.94982147216797	220.0
116.20928955078125	200.0
116.58936309814453	212.0
116.69683837890625	156.0
116.9377670288086	148.0
117.52822875976562	188.0
117.5757064819336	148.0
118.22836303710938	184.0
118.5271987915039	180.0
118.79386901855469	156.0
119.3128890991211	180.0
120.26700592041016	156.0
120.96428680419922	200.0
121.33889770507812	176.0
121.59114837646484	188.0
121.63724517822266	236.0
121.87442779541016	152.0
121.97991943359375	172.0
123.80458068847656	176.0
124.03278350830078	152.0
124.12589263916016	192.0
124.40298461914062	184.0
124.57865905761719	184.0
124.73643493652344	200.0
124.78089904785156	172.0
124.90098571777344	184.0
125.08905029296875	208.0
125.4532241821289	152.0
125.61824798583984	148.0
125.7108383178711	128.0
126.1452407836914	152.0
127.07014465332031	148.0
127.93988800048828	208.0
128.00518798828125	148.0
128.06149291992188	172.0
128.09751892089844	180.0
128.71548461914062	212.0
129.0657196044922	208.0
130.0605926513672	160.0
130.78761291503906	204.0
131.08140563964844	168.0
131.8870086669922	176.0
132.05943298339844	116.0
132.1179656982422	236.0
132.3651580810547	156.0
133.4251708984375	164.0
133.59075927734375	192.0
133.850830078125	160.0
133.8945770263672	208.0
134.51942443847656	180.0
134.9722442626953	152.0
135.8430633544922	192.0
135.9940643310547	304.0
136.9588165283203	184.0
137.00079345703125	260.0
137.13356018066406	144.0
137.4927215576172	200.0
137.64678955078125	172.0
137.73086547851562	160.0
137.76358032226562	140.0
137.84535217285156	152.0
137.99366760253906	204.0
138.03001403808594	140.0
138.3880157470703	336.0
138.6597442626953	164.0
138.73944091796875	156.0
138.99977111816406	176.0
139.2462615966797	180.0
139.9888916015625	160.0
140.29571533203125	204.0
140.68495178222656	148.0
140.9967498779297	152.0
141.12911987304688	144.0
142.38504028320312	176.0
143.09603881835938	188.0
143.69664001464844	244.0
143.732421875	164.0
143.9281463623047	176.0
144.59271240234375	140.0
145.0885467529297	144.0
145.28759765625	180.0
145.4390106201172	200.0
145.65554809570312	128.0
145.82546997070312	156.0
146.46731567382812	168.0
146.5738983154297	188.0
147.17691040039062	152.0
147.68923950195312	228.0
147.7110137939453	184.0
147.7593994140625	152.0
148.70635986328125	172.0
149.26075744628906	192.0
149.32847595214844	184.0
149.9326171875	148.0
150.04962158203125	200.0
150.15203857421875	152.0
151.11447143554688	144.0
151.45965576171875	144.0
151.62625122070312	152.0
151.6997833251953	164.0
151.7218475341797	228.0
152.0565643310547	140.0
153.22837829589844	144.0
153.3318634033203	200.0
154.0030517578125	144.0
154.14129638671875	188.0
154.15858459472656	168.0
154.4404296875	216.0
154.64332580566406	192.0
154.93798828125	220.0
155.37680053710938	168.0
155.67465209960938	140.0
155.90853881835938	132.0
156.66705322265625	180.0
156.8928985595703	192.0
157.24952697753906	188.0
158.05520629882812	172.0
158.8343505859375	168.0
159.54481506347656	156.0
159.76882934570312	148.0
159.79454040527344	164.0
160.34544372558594	264.0
160.5824432373047	140.0
160.82717895507812	224.0
161.03927612304688	208.0
161.22622680664062	176.0
161.33070373535156	216.0
161.87889099121094	164.0
162.15249633789062	140.0
162.2310791015625	212.0
162.67247009277344	152.0
163.36570739746094	160.0
164.0015869140625	536.0
164.20167541503906	164.0
164.5487060546875	180.0
164.5972137451172	196.0
165.11598205566406	144.0
165.33343505859375	172.0
165.99539184570312	544.0
166.1431121826172	168.0
166.2303466796875	200.0
166.4687957763672	144.0
166.5897979736328	184.0
167.48495483398438	212.0
168.11402893066406	156.0
168.85806274414062	204.0
168.91238403320312	144.0
169.6874237060547	172.0
170.01611328125	200.0
170.04725646972656	144.0
171.33961486816406	144.0
171.64976501464844	156.0
171.67189025878906	240.0
171.8975830078125	164.0
171.971923828125	42336.0
172.06863403320312	192.0
172.26947021484375	100.0
172.77548217773438	140.0
172.97564697265625	2540.0
173.0240936279297	152.0
173.0529022216797	148.0
173.1916961669922	200.0
173.4262237548828	148.0
173.88758850097656	96.0
173.96942138671875	15096.0
174.31883239746094	192.0
174.97247314453125	648.0
175.88156127929688	172.0
175.957763671875	120.0
176.05369567871094	184.0
176.24630737304688	140.0
176.74575805664062	228.0
176.8913116455078	368.0
177.15518188476562	204.0
177.51657104492188	184.0
178.0181121826172	196.0
179.1911163330078	200.0
179.51097106933594	128.0
180.48561096191406	148.0
180.87353515625	240.0
181.61842346191406	172.0
182.05052185058594	144.0
182.13645935058594	216.0
182.34872436523438	152.0
183.9243621826172	192.0
185.0543670654297	176.0
185.90101623535156	160.0
185.96791076660156	160.0
186.06021118164062	160.0
186.4676513671875	204.0
186.52455139160156	176.0
186.7177734375	180.0
188.4514617919922	148.0
188.99838256835938	6920.0
189.06671142578125	144.0
189.83375549316406	184.0
189.91055297851562	144.0
189.97947692871094	1128.0
190.81399536132812	152.0
190.994873046875	2960.0
191.06976318359375	180.0
191.1302947998047	208.0
191.21560668945312	196.0
191.97938537597656	664.0
192.98382568359375	140.0
193.11380004882812	172.0
193.56211853027344	156.0
193.60365295410156	220.0
194.00819396972656	140.0
194.77407836914062	204.0
195.91180419921875	172.0
196.3768310546875	120.0
196.53073120117188	180.0
196.96548461914062	560.0
197.04165649414062	140.0
197.3267364501953	184.0
197.5504608154297	140.0
197.58360290527344	156.0
197.77992248535156	180.0
197.8386993408203	176.0
198.96212768554688	336.0
199.18470764160156	200.0
199.29147338867188	240.0
200.3042449951172	176.0
200.33241271972656	160.0
200.67906188964844	180.0
200.77493286132812	140.0
201.18406677246094	156.0
201.5709991455078	144.0
202.01771545410156	184.0
202.76805114746094	204.0
203.71234130859375	120.0
203.9114532470703	160.0
203.957275390625	144.0
205.17710876464844	180.0
206.55206298828125	164.0
207.4110870361328	148.0
207.83839416503906	168.0
208.01632690429688	228.0
208.5448455810547	176.0
208.96182250976562	156.0
210.17770385742188	156.0
211.1425323486328	176.0
211.6750030517578	156.0
212.4662628173828	148.0
212.6055450439453	212.0
212.6781005859375	176.0
212.71873474121094	168.0
213.6690216064453	152.0
213.92929077148438	164.0
213.9940948486328	8144.0
214.3026580810547	100.0
214.36781311035156	176.0
214.59808349609375	144.0
214.9963836669922	964.0
215.1815948486328	144.0
215.40354919433594	152.0
215.9413604736328	216.0
215.99050903320312	5264.0
216.22894287109375	136.0
216.51498413085938	192.0
216.56932067871094	148.0
216.9448699951172	168.0
216.99781799316406	556.0
217.4795684814453	188.0
217.6468963623047	164.0
217.8877410888672	160.0
217.90830993652344	240.0
218.84359741210938	152.0
219.1616973876953	172.0
220.68765258789062	164.0
220.9183349609375	140.0
220.95382690429688	140.0
222.31088256835938	148.0
222.73841857910156	240.0
222.91371154785156	148.0
223.05934143066406	196.0
223.80308532714844	164.0
224.00559997558594	192.0
225.5214080810547	168.0
225.71273803710938	144.0
226.63763427734375	144.0
227.11729431152344	168.0
227.98194885253906	140.0
228.0751190185547	156.0
228.9325714111328	176.0
229.01321411132812	180.0
229.90025329589844	180.0
230.8094940185547	156.0
230.91534423828125	220.0
232.05392456054688	216.0
232.41485595703125	172.0
233.62405395507812	168.0
234.02882385253906	152.0
234.29684448242188	192.0
235.49258422851562	180.0
236.43423461914062	140.0
239.91123962402344	148.0
240.16409301757812	148.0
240.49423217773438	160.0
240.5436248779297	180.0
240.68563842773438	164.0
243.22113037109375	156.0
243.27700805664062	204.0
243.8330078125	156.0
243.95733642578125	128.0
244.83787536621094	148.0
245.06214904785156	164.0
245.09141540527344	184.0
246.56622314453125	176.0
246.77877807617188	144.0
247.11968994140625	288.0
247.2386016845703	152.0
247.99337768554688	224.0
248.128173828125	164.0
248.15638732910156	144.0
248.19715881347656	188.0
249.03504943847656	208.0
249.2989501953125	152.0
249.75482177734375	156.0
250.6394500732422	140.0
251.07762145996094	156.0
251.62351989746094	204.0
251.6898193359375	168.0
252.10678100585938	160.0
252.42173767089844	144.0
252.5588836669922	188.0
253.0272216796875	172.0
253.17288208007812	160.0
253.33155822753906	212.0
253.66265869140625	144.0
254.27613830566406	200.0
254.35818481445312	108.0
254.64759826660156	144.0
254.91127014160156	160.0
255.1178741455078	152.0
255.16293334960938	316.0
255.18887329101562	200.0
255.21588134765625	140.0
255.2745819091797	96.0
255.32525634765625	144.0
255.41677856445312	184.0
255.4585723876953	144.0
255.5247039794922	108.0
255.57286071777344	116.0
255.63998413085938	128.0
255.7053680419922	120.0
255.75314331054688	292.0
255.78048706054688	204.0
255.80479431152344	300.0
255.88150024414062	244.0
255.93943786621094	244.0
256.0174255371094	200444.0
256.13433837890625	208.0
256.16851806640625	228.0
256.2243347167969	152.0
256.29217529296875	368.0
256.3432922363281	192.0
256.40765380859375	504.0
256.50213623046875	148.0
256.5408630371094	6644.0
256.6345520019531	164.0
256.7423095703125	176.0
256.81707763671875	140.0
256.871337890625	244.0
256.952880859375	128.0
257.0184326171875	33156.0
257.14215087890625	400.0
257.1904296875	184.0
257.2566223144531	204.0
257.3285827636719	108.0
257.3514099121094	192.0
257.3833312988281	340.0
257.55078125	152.0
257.588134765625	232.0
257.6209411621094	224.0
257.7217102050781	192.0
257.7673645019531	124.0
257.84283447265625	172.0
257.8825378417969	288.0
257.9528503417969	524.0
258.0141296386719	154844.0
258.22454833984375	168.0
258.2580261230469	136.0
258.29962158203125	292.0
258.3356018066406	204.0
258.4710388183594	180.0
258.5066223144531	196.0
258.5389099121094	1256.0
258.57379150390625	152.0
258.5812072753906	264.0
258.6470031738281	208.0
258.6897277832031	152.0
258.7153015136719	280.0
258.7742614746094	164.0
258.8214416503906	376.0
258.87591552734375	100.0
258.90509033203125	316.0
258.9682312011719	220.0
259.01513671875	10528.0
259.2162170410156	120.0
259.5333251953125	140.0
259.58831787109375	116.0
259.6192626953125	304.0
259.69244384765625	116.0
259.86883544921875	116.0
260.00927734375	504.0
260.1804504394531	108.0
260.5365905761719	240.0
260.56591796875	144.0
260.62225341796875	148.0
260.7106628417969	124.0
260.7840576171875	132.0
260.8160095214844	248.0
260.83905029296875	264.0
260.8876037597656	116.0
260.94720458984375	232.0
261.015380859375	208.0
261.0893249511719	132.0
261.2138366699219	128.0
261.8204650878906	192.0
262.432373046875	112.0
262.6141052246094	108.0
263.02783203125	128.0
266.6117858886719	116.0
267.22271728515625	132.0
267.37457275390625	132.0
270.320068359375	100.0
327.4812927246094	140.0
345.99652099609375	156.0
418.5417785644531	104.0
499.71990966796875	120.0
709.4694213867188	140.0
1338.470947265625	160.0
1391.8714599609375	168.0
1537.011474609375	148.0
1542.4002685546875	152.0
1545.77880859375	144.0
1560.5958251953125	140.0
1604.4500732421875	224.0
1629.572509765625	248.0
1632.1927490234375	196.0
1633.6243896484375	168.0
1687.590087890625	192.0
1703.2838134765625	148.0
1739.5262451171875	152.0
1760.7008056640625	160.0
1760.841796875	236.0
1810.0552978515625	164.0
1884.4129638671875	140.0
1922.8031005859375	156.0
1924.8895263671875	256.0
1930.3685302734375	160.0
1943.7445068359375	152.0
1952.8546142578125	204.0
1990.582275390625	208.0
1998.4132080078125	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078911
PEPMASS=403.141937
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Nobiletin [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccc(cc1OC)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2
INCHI=InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
INCHIAUX=MRIAQLRQZPPODS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078911
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078911
SCANS=1472
45.234962463378906	168.0
51.38368225097656	148.0
54.7926025390625	152.0
55.34202575683594	160.0
56.681121826171875	148.0
60.837913513183594	148.0
62.85227584838867	144.0
63.913917541503906	148.0
68.31352996826172	232.0
69.14017486572266	152.0
69.23785400390625	160.0
76.10582733154297	164.0
78.52961730957031	176.0
89.9228744506836	156.0
90.61307525634766	164.0
94.19830322265625	188.0
95.69353485107422	168.0
96.08917236328125	168.0
101.76004791259766	144.0
102.95613861083984	176.0
103.68038940429688	148.0
105.00389862060547	212.0
106.1060562133789	192.0
110.94507598876953	160.0
113.6658935546875	184.0
122.44640350341797	184.0
125.6338882446289	140.0
126.58602905273438	196.0
126.81453704833984	176.0
126.86609649658203	184.0
128.2800750732422	156.0
129.36920166015625	156.0
130.3668975830078	176.0
133.52638244628906	156.0
133.97982788085938	180.0
135.04397583007812	156.0
137.0613555908203	140.0
138.06512451171875	176.0
138.673828125	148.0
144.5089874267578	212.0
145.06700134277344	160.0
147.172119140625	152.0
148.05715942382812	156.0
148.5103759765625	144.0
153.96839904785156	152.0
155.02969360351562	140.0
157.06593322753906	164.0
157.33265686035156	156.0
158.18539428710938	188.0
162.06935119628906	248.0
162.65219116210938	144.0
163.0730438232422	664.0
164.07948303222656	304.0
165.02020263671875	500.0
165.05406188964844	1052.0
166.0306854248047	156.0
166.05850219726562	236.0
166.3433074951172	144.0
166.4357452392578	164.0
168.0068817138672	132.0
168.2947540283203	156.0
168.93569946289062	180.0
173.09483337402344	204.0
174.94845581054688	152.0
175.078369140625	160.0
176.1060333251953	204.0
177.0581512451172	156.0
177.72085571289062	180.0
179.03134155273438	184.0
179.05264282226562	260.0
180.03672790527344	212.0
180.4696044921875	160.0
181.01414489746094	308.0
181.05152893066406	164.0
183.02952575683594	2380.0
184.02952575683594	160.0
185.05441284179688	192.0
186.19058227539062	148.0
186.96810913085938	148.0
187.2403564453125	180.0
187.76361083984375	156.0
187.83724975585938	160.0
189.05307006835938	320.0
189.4391326904297	152.0
189.67752075195312	140.0
190.78379821777344	184.0
190.8195343017578	148.0
190.9652862548828	160.0
193.01358032226562	460.0
194.0158233642578	200.0
195.01585388183594	176.0
195.71409606933594	156.0
197.01097106933594	148.0
199.2184600830078	140.0
199.83091735839844	132.0
200.48179626464844	236.0
203.0657958984375	160.0
203.10549926757812	164.0
205.08447265625	152.0
206.30332946777344	148.0
207.09596252441406	148.0
207.65771484375	160.0
208.07257080078125	112.0
209.01077270507812	192.0
209.0712127685547	148.0
211.02378845214844	3240.0
211.1281280517578	140.0
211.28150939941406	128.0
212.02476501464844	284.0
213.0261688232422	272.0
213.66615295410156	160.0
216.07888793945312	160.0
216.2486114501953	144.0
220.56735229492188	192.0
221.36233520507812	196.0
225.560302734375	148.0
226.08970642089844	172.0
227.06935119628906	148.0
227.36036682128906	148.0
229.03953552246094	224.0
229.0952606201172	204.0
230.0693359375	220.0
230.26559448242188	184.0
231.06883239746094	484.0
231.10133361816406	164.0
232.0680694580078	148.0
234.32125854492188	160.0
235.1750946044922	140.0
236.0243682861328	184.0
237.89939880371094	168.0
239.06402587890625	172.0
239.7972412109375	176.0
239.9606170654297	140.0
241.06793212890625	332.0
242.07542419433594	156.0
243.05809020996094	240.0
244.03822326660156	184.0
244.07122802734375	380.0
246.08529663085938	188.0
250.3465576171875	140.0
251.08084106445312	164.0
251.73724365234375	168.0
252.6158905029297	200.0
252.66966247558594	156.0
255.06369018554688	132.0
255.1560821533203	208.0
256.0688171386719	180.0
257.0780029296875	192.0
258.0512390136719	836.0
258.70361328125	236.0
258.8869323730469	152.0
259.0561218261719	452.0
259.1167297363281	144.0
259.4132995605469	132.0
259.7386169433594	164.0
260.0691223144531	264.0
260.1782531738281	160.0
264.031982421875	168.0
267.0644836425781	152.0
268.1151428222656	160.0
268.6475524902344	212.0
269.03216552734375	120.0
269.07513427734375	212.0
269.15667724609375	176.0
270.0881042480469	152.0
271.0915222167969	236.0
272.06744384765625	332.0
273.0752258300781	240.0
273.26031494140625	148.0
274.0821228027344	584.0
275.08935546875	308.0
278.0760498046875	188.0
280.2831115722656	140.0
281.041259765625	188.0
281.0882568359375	196.0
281.77825927734375	144.0
283.0989685058594	132.0
284.0676574707031	204.0
285.08837890625	172.0
286.08203125	440.0
287.0599060058594	192.0
287.0975646972656	164.0
287.7459716796875	156.0
291.3630065917969	204.0
294.599365234375	168.0
295.56005859375	176.0
295.5874328613281	200.0
295.7619934082031	144.0
297.03460693359375	308.0
297.0780029296875	212.0
299.0558776855469	272.0
299.0914001464844	976.0
299.2050476074219	232.0
300.0651550292969	196.0
300.1025085449219	296.0
300.211181640625	260.0
300.8425598144531	188.0
301.0690612792969	1304.0
301.2120666503906	172.0
301.9302062988281	164.0
302.0782470703125	892.0
303.0878601074219	252.0
303.908935546875	148.0
304.3045959472656	160.0
304.75958251953125	148.0
305.5140075683594	148.0
308.4327392578125	144.0
308.9012756347656	144.0
309.0745544433594	420.0
309.49273681640625	144.0
310.8106689453125	176.0
311.0939636230469	284.0
311.1230163574219	148.0
312.0660400390625	544.0
312.16302490234375	176.0
313.0709228515625	916.0
313.1152038574219	248.0
313.2857971191406	172.0
314.07366943359375	500.0
315.0511474609375	1236.0
316.04803466796875	356.0
316.0887451171875	144.0
316.3935241699219	152.0
317.0381774902344	140.0
317.09417724609375	144.0
318.8089904785156	156.0
319.1182556152344	140.0
321.0553283691406	144.0
323.05242919921875	168.0
324.09405517578125	232.0
325.0352783203125	244.0
325.0688171386719	336.0
325.1077575683594	324.0
326.0723571777344	208.0
326.369384765625	200.0
327.08685302734375	6564.0
328.0597229003906	488.0
328.0916442871094	1500.0
328.8421630859375	112.0
329.06573486328125	1540.0
329.2463073730469	140.0
329.9314880371094	144.0
330.0738220214844	4456.0
330.5354919433594	180.0
331.0726318359375	452.0
332.0823974609375	228.0
333.39300537109375	148.0
335.2525939941406	156.0
335.4677734375	104.0
337.05889892578125	168.0
338.9571533203125	104.0
339.0511779785156	176.0
339.08758544921875	308.0
339.22186279296875	144.0
340.057373046875	264.0
341.0729064941406	224.0
341.0992736816406	804.0
341.2373352050781	144.0
342.07611083984375	268.0
342.1051330566406	436.0
342.21966552734375	232.0
343.0443420410156	1232.0
343.0795593261719	872.0
344.0479736328125	548.0
344.0893859863281	848.0
344.29571533203125	164.0
345.05682373046875	408.0
345.0982971191406	3820.0
346.1025695800781	512.0
346.6026611328125	144.0
347.1040954589844	136.0
348.462890625	156.0
348.5557861328125	160.0
349.69000244140625	152.0
353.06011962890625	600.0
354.0816955566406	268.0
355.0805969238281	5500.0
355.7467041015625	228.0
356.0885925292969	676.0
356.2332458496094	100.0
356.8310852050781	140.0
357.06317138671875	692.0
357.0924072265625	908.0
358.06787109375	7956.0
358.29132080078125	184.0
358.4231872558594	148.0
358.57769775390625	148.0
359.0730895996094	1860.0
359.1058044433594	1084.0
359.79229736328125	200.0
360.069580078125	356.0
360.1067199707031	120.0
360.305908203125	168.0
361.705078125	144.0
362.0761413574219	204.0
365.4964294433594	164.0
368.39013671875	204.0
369.09503173828125	640.0
369.8852844238281	164.0
370.1043395996094	296.0
370.1630554199219	124.0
370.97064208984375	132.0
371.0766906738281	152.0
371.1191711425781	304.0
371.8086853027344	140.0
372.0881652832031	132.0
372.1752014160156	108.0
372.28350830078125	248.0
372.3497314453125	184.0
372.4775390625	120.0
372.542724609375	168.0
372.66748046875	104.0
372.7091369628906	164.0
372.9239196777344	172.0
373.0931396484375	67672.0
373.4352722167969	176.0
373.67633056640625	152.0
373.7253112792969	124.0
373.850341796875	204.0
373.91937255859375	252.0
374.0289001464844	192.0
374.0963134765625	15116.0
374.378173828125	168.0
374.6538391113281	108.0
375.0975341796875	1860.0
375.2212219238281	144.0
376.1016540527344	356.0
376.30731201171875	148.0
376.3604736328125	144.0
376.3890686035156	104.0
376.43572998046875	172.0
376.4964904785156	196.0
376.5899963378906	128.0
378.54962158203125	112.0
379.06317138671875	144.0
379.2983703613281	164.0
379.7338562011719	224.0
383.4545593261719	144.0
386.3792724609375	152.0
386.6649169921875	144.0
387.10723876953125	1188.0
387.1542663574219	392.0
387.3109130859375	196.0
387.5655822753906	236.0
387.9888610839844	176.0
388.0469665527344	156.0
388.115234375	4720.0
389.1217041015625	672.0
389.23309326171875	284.0
389.53106689453125	240.0
390.12298583984375	368.0
394.2195739746094	212.0
398.312255859375	188.0
400.9557800292969	148.0
401.69976806640625	156.0
401.7488708496094	116.0
401.79559326171875	96.0
401.84735107421875	188.0
401.97381591796875	284.0
402.1714172363281	128.0
402.2326354980469	96.0
402.3094177246094	120.0
402.39593505859375	124.0
402.50347900390625	216.0
402.6268310546875	264.0
402.6825256347656	144.0
402.8002624511719	280.0
402.890380859375	132.0
402.92132568359375	260.0
402.97613525390625	340.0
403.02764892578125	276.0
403.140869140625	159236.0
403.2779235839844	348.0
403.4013977050781	136.0
403.47186279296875	164.0
403.5215148925781	104.0
403.6245422363281	272.0
403.680908203125	200.0
403.713623046875	156.0
403.7978820800781	1028.0
403.8561706542969	100.0
403.92529296875	164.0
403.959228515625	148.0
404.0358581542969	284.0
404.14288330078125	32848.0
404.25634765625	176.0
404.47015380859375	128.0
404.5681457519531	232.0
404.6287536621094	124.0
404.7881164550781	116.0
404.9493713378906	108.0
405.0809326171875	184.0
405.14544677734375	5448.0
405.2220458984375	164.0
405.3139343261719	136.0
405.786865234375	156.0
405.8750915527344	196.0
406.0839538574219	96.0
406.1454772949219	696.0
406.2709045410156	108.0
406.4721374511719	136.0
406.5503845214844	116.0
406.5841369628906	124.0
406.62567138671875	156.0
406.66705322265625	172.0
406.7101745605469	228.0
406.74420166015625	208.0
406.80963134765625	196.0
407.8575439453125	108.0
408.4004821777344	104.0
408.5246887207031	116.0
408.8798828125	152.0
420.59344482421875	148.0
424.3404541015625	96.0
475.9332275390625	164.0
492.4344177246094	152.0
615.3228759765625	148.0
631.822998046875	164.0
868.8060302734375	136.0
1006.4779052734375	140.0
1088.2523193359375	156.0
1276.47607421875	148.0
1448.330810546875	160.0
1513.0341796875	212.0
1675.3892822265625	164.0
1888.113037109375	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078912
PEPMASS=425.124603
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=32.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Nobiletin [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccc(cc1OC)c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2
INCHI=InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
INCHIAUX=MRIAQLRQZPPODS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078912
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078912
SCANS=1484
67.24678802490234	184.0
88.99478149414062	140.0
116.26077270507812	216.0
123.6429443359375	168.0
128.92103576660156	192.0
149.61837768554688	228.0
158.36309814453125	144.0
167.78128051757812	160.0
178.0877685546875	152.0
205.9917755126953	192.0
233.0045623779297	204.0
234.01051330566406	164.0
242.04920959472656	164.0
253.42941284179688	180.0
259.5397033691406	180.0
267.9237365722656	216.0
268.05731201171875	160.0
272.1192932128906	184.0
273.1253356933594	196.0
308.0796813964844	176.0
310.36859130859375	148.0
312.05743408203125	172.0
323.0484619140625	292.0
335.05023193359375	300.0
336.06195068359375	156.0
337.03033447265625	200.0
339.0458068847656	160.0
352.058349609375	148.0
359.33551025390625	192.0
365.1501159667969	176.0
365.40875244140625	204.0
370.4940185546875	168.0
371.344970703125	216.0
377.06707763671875	164.0
377.1048278808594	256.0
377.6615905761719	172.0
380.04693603515625	380.0
381.0588073730469	264.0
382.07208251953125	152.0
385.9058837890625	152.0
394.1104736328125	184.0
394.93896484375	160.0
395.0738830566406	7492.0
395.1980895996094	176.0
395.6710510253906	168.0
395.896728515625	140.0
396.03521728515625	144.0
396.07733154296875	1904.0
396.21185302734375	100.0
397.0783386230469	692.0
398.5306091308594	144.0
398.6193542480469	104.0
400.9938659667969	192.0
403.0459289550781	176.0
403.3607482910156	144.0
405.1054382324219	144.0
405.17486572265625	180.0
409.04876708984375	216.0
410.0955505371094	3676.0
410.2268371582031	132.0
411.1007080078125	1096.0
412.1003723144531	116.0
412.1460876464844	152.0
416.3955078125	208.0
419.1251220703125	176.0
420.80963134765625	168.0
422.66961669921875	128.0
423.3693542480469	148.0
424.0198669433594	148.0
424.9884948730469	140.0
425.0315856933594	136.0
425.1216735839844	56316.0
425.3380432128906	192.0
425.5426025390625	168.0
425.658447265625	128.0
425.7004089355469	128.0
425.92547607421875	212.0
426.0491943359375	96.0
426.1247253417969	12020.0
426.2261047363281	120.0
427.1264343261719	3148.0
427.1946716308594	208.0
427.3331298828125	128.0
428.1276550292969	268.0
428.24151611328125	160.0
428.307373046875	128.0
428.5202941894531	144.0
428.8717041015625	116.0
429.1854553222656	112.0
429.68499755859375	96.0
429.94915771484375	140.0
433.8475036621094	140.0
434.08746337890625	160.0
443.1326904296875	596.0
444.1200256347656	260.0
466.1442565917969	160.0
467.1639099121094	152.0
540.0485229492188	144.0
685.78271484375	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078913
PEPMASS=325.177582
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ESCITALOPRAM OXALATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CCC[C@]1(OCc2cc(C#N)ccc21)c3ccc(F)cc3
INCHI=InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1
INCHIAUX=WSEQXVZVJXJVFP-FQEVSTJZSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078913
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078913
SCANS=1153
45.03572463989258	192.0
45.083824157714844	140.0
45.153656005859375	136.0
45.237640380859375	176.0
45.41451644897461	168.0
45.63071823120117	168.0
45.66552734375	140.0
45.82429122924805	204.0
45.99039840698242	236.0
46.1092529296875	348.0
46.420623779296875	212.0
46.555301666259766	196.0
46.715354919433594	172.0
46.76560592651367	116.0
46.99327850341797	144.0
47.036949157714844	224.0
47.16261672973633	148.0
47.20423889160156	216.0
47.55297088623047	148.0
48.270729064941406	200.0
48.285194396972656	156.0
48.47421646118164	224.0
48.489864349365234	180.0
48.55878448486328	168.0
48.59623718261719	148.0
48.63648223876953	152.0
48.9542121887207	136.0
48.97341537475586	176.0
49.175140380859375	144.0
49.39457702636719	172.0
49.44768142700195	148.0
49.833309173583984	140.0
49.97428894042969	104.0
50.32552719116211	156.0
50.372886657714844	160.0
50.39125061035156	156.0
50.40961837768555	152.0
50.56410217285156	180.0
50.62530517578125	140.0
50.82377624511719	108.0
51.13288497924805	144.0
51.249656677246094	188.0
51.30238723754883	160.0
51.37369155883789	164.0
51.6579704284668	168.0
51.710914611816406	192.0
51.87607955932617	208.0
51.91291427612305	148.0
51.95307540893555	156.0
52.14548873901367	160.0
52.159000396728516	280.0
52.49388122558594	180.0
52.60064697265625	172.0
52.64235305786133	156.0
52.71040725708008	164.0
52.95156478881836	172.0
53.062129974365234	284.0
53.14335250854492	140.0
53.44266128540039	232.0
53.63777542114258	160.0
53.70050811767578	288.0
53.843536376953125	152.0
53.921104431152344	132.0
53.96482467651367	160.0
54.04526901245117	204.0
54.07892990112305	180.0
54.10088348388672	164.0
54.26350402832031	188.0
54.33977127075195	148.0
54.38966369628906	168.0
54.70423889160156	240.0
54.824825286865234	188.0
55.062538146972656	156.0
55.07878494262695	172.0
55.33906173706055	232.0
55.396820068359375	200.0
55.40719223022461	176.0
55.43693542480469	164.0
55.52280807495117	156.0
55.631526947021484	148.0
55.64448547363281	240.0
55.726173400878906	160.0
55.79156494140625	164.0
55.88228988647461	148.0
55.944793701171875	196.0
56.233970642089844	156.0
56.6436653137207	168.0
56.80255889892578	200.0
57.00374221801758	196.0
57.04732894897461	168.0
57.354408264160156	144.0
57.47053146362305	300.0
57.75908279418945	156.0
57.82746124267578	104.0
58.036224365234375	180.0
58.24261474609375	156.0
58.50774002075195	104.0
58.626651763916016	212.0
58.65615463256836	140.0
58.838035583496094	144.0
58.955650329589844	156.0
58.97246170043945	156.0
59.00303268432617	184.0
59.07337951660156	144.0
59.260154724121094	208.0
59.34445571899414	176.0
59.37067794799805	120.0
59.42597961425781	156.0
59.465232849121094	164.0
59.7945442199707	172.0
59.920814514160156	156.0
60.07652282714844	164.0
60.31741714477539	212.0
60.515438079833984	164.0
60.526275634765625	204.0
60.934200286865234	156.0
61.011905670166016	148.0
61.05699920654297	148.0
61.073978424072266	192.0
61.10677719116211	152.0
61.6186637878418	148.0
61.937286376953125	160.0
61.974884033203125	160.0
62.014060974121094	244.0
62.0548210144043	156.0
62.185020446777344	156.0
62.239967346191406	160.0
62.55597686767578	164.0
62.81283187866211	172.0
62.88541030883789	184.0
62.92961120605469	144.0
62.94498825073242	152.0
62.9659309387207	204.0
62.98804473876953	180.0
63.00699996948242	172.0
63.2172966003418	168.0
63.269527435302734	180.0
63.29961013793945	192.0
63.35346221923828	236.0
63.3759765625	152.0
63.3978271484375	148.0
63.7390022277832	176.0
63.807350158691406	144.0
63.912322998046875	176.0
64.01897430419922	216.0
64.16716003417969	148.0
64.18151092529297	244.0
64.25009155273438	172.0
64.41770935058594	144.0
64.46723937988281	148.0
64.49944305419922	136.0
64.64315032958984	228.0
64.67195892333984	156.0
64.73439025878906	168.0
64.82891082763672	140.0
64.84333038330078	192.0
64.97642517089844	144.0
65.03579711914062	180.0
65.09358978271484	256.0
65.12089538574219	164.0
65.16053771972656	124.0
65.18354797363281	140.0
65.22066497802734	168.0
65.2333755493164	148.0
65.508544921875	204.0
65.75363159179688	188.0
65.82789611816406	184.0
66.08328247070312	144.0
66.11079406738281	152.0
66.54391479492188	136.0
66.58666229248047	120.0
66.6182861328125	152.0
66.75318908691406	160.0
67.00067138671875	152.0
67.42008972167969	152.0
67.4330062866211	156.0
67.54379272460938	164.0
67.62303924560547	156.0
67.63896179199219	148.0
67.81271362304688	168.0
68.04806518554688	104.0
68.09162902832031	156.0
68.1211929321289	168.0
68.28885650634766	196.0
68.37605285644531	212.0
68.72319030761719	116.0
69.21026611328125	152.0
69.54788970947266	144.0
69.6799087524414	152.0
69.70067596435547	184.0
70.08670806884766	204.0
70.175048828125	176.0
70.26844787597656	208.0
70.30181884765625	148.0
70.35022735595703	180.0
70.38027954101562	144.0
70.47047424316406	200.0
70.5456771850586	212.0
70.66441345214844	216.0
70.76148986816406	184.0
70.8102798461914	116.0
70.91426849365234	176.0
71.04802703857422	164.0
71.09505462646484	184.0
71.11398315429688	216.0
71.14876556396484	176.0
71.2579345703125	268.0
71.30162048339844	160.0
71.41090393066406	148.0
71.48661041259766	324.0
71.50511932373047	192.0
71.569091796875	144.0
71.66279602050781	208.0
71.81175994873047	160.0
71.85055541992188	264.0
71.96532440185547	144.0
72.00415802001953	180.0
72.03595733642578	136.0
72.0801773071289	152.0
72.47486114501953	128.0
72.54853820800781	136.0
72.68475341796875	112.0
73.02955627441406	160.0
73.09249877929688	140.0
73.37353515625	168.0
73.67457580566406	200.0
73.73712158203125	172.0
73.78327178955078	144.0
74.05134582519531	212.0
74.17450714111328	128.0
74.22329711914062	140.0
74.55735778808594	160.0
74.66291046142578	152.0
74.79539489746094	160.0
74.87459564208984	144.0
74.94535064697266	108.0
75.09369659423828	124.0
75.44400024414062	144.0
75.45955657958984	204.0
75.64813232421875	196.0
75.69487762451172	160.0
75.71566009521484	152.0
75.7537612915039	156.0
75.89934539794922	140.0
75.91512298583984	124.0
75.93730163574219	144.0
75.99474334716797	152.0
76.30911254882812	156.0
76.35084533691406	224.0
76.40568542480469	116.0
76.46566772460938	140.0
76.68440246582031	204.0
76.74215698242188	144.0
76.9048843383789	196.0
76.91709899902344	144.0
76.9939193725586	160.0
77.03584289550781	188.0
77.44515228271484	148.0
77.45982360839844	160.0
77.531005859375	168.0
77.5643081665039	148.0
77.60042572021484	132.0
77.65547943115234	184.0
77.72303771972656	124.0
77.85906982421875	152.0
78.12975311279297	152.0
78.19662475585938	160.0
78.27407836914062	224.0
78.67960357666016	236.0
78.74604797363281	204.0
79.39800262451172	144.0
79.4645767211914	128.0
79.53639221191406	188.0
79.71932220458984	356.0
79.90424346923828	340.0
79.9327163696289	184.0
79.99500274658203	184.0
80.13569641113281	156.0
80.1517333984375	140.0
80.38175964355469	140.0
80.46922302246094	204.0
80.75155639648438	176.0
80.8606948852539	160.0
81.14372253417969	168.0
81.27490234375	228.0
81.42723846435547	240.0
81.44160461425781	176.0
81.60873413085938	172.0
81.69866180419922	168.0
81.72384643554688	152.0
81.78105926513672	116.0
81.9885482788086	180.0
82.21987915039062	164.0
82.31507110595703	192.0
82.32770538330078	224.0
82.54426574707031	196.0
82.59881591796875	180.0
82.73604583740234	144.0
82.89029693603516	188.0
82.9392318725586	160.0
83.08869171142578	160.0
83.1865005493164	152.0
83.48026275634766	160.0
83.51481628417969	164.0
83.62398529052734	140.0
83.7527847290039	276.0
83.80062103271484	204.0
83.88992309570312	148.0
84.05318450927734	264.0
84.08326721191406	164.0
84.18002319335938	196.0
84.3133773803711	160.0
84.3659439086914	132.0
84.56759643554688	244.0
84.60420989990234	228.0
84.72874450683594	156.0
84.82279205322266	112.0
84.96891021728516	140.0
85.05148315429688	184.0
85.1390609741211	140.0
85.18848419189453	152.0
85.23513793945312	172.0
85.32859802246094	132.0
85.52387237548828	184.0
85.62834167480469	244.0
85.72093200683594	172.0
85.7974624633789	136.0
85.81040954589844	140.0
85.95142364501953	212.0
85.99386596679688	212.0
86.05029296875	140.0
86.09264373779297	136.0
86.4725570678711	176.0
86.5391616821289	192.0
86.6243896484375	140.0
86.66514587402344	160.0
86.73099517822266	100.0
86.92474365234375	140.0
86.984130859375	152.0
87.05282592773438	156.0
87.26775360107422	180.0
87.34089660644531	220.0
87.85621643066406	224.0
87.89981079101562	176.0
87.95579528808594	196.0
88.09024810791016	144.0
88.32015991210938	164.0
88.36429595947266	176.0
88.45488739013672	188.0
88.57140350341797	124.0
88.7283935546875	220.0
88.80314636230469	148.0
88.82412719726562	236.0
88.93156433105469	168.0
88.98252868652344	148.0
89.03987884521484	448.0
89.07437896728516	152.0
89.16548156738281	120.0
89.21223449707031	184.0
89.51754760742188	164.0
89.60230255126953	164.0
89.70972442626953	196.0
89.73800659179688	256.0
89.77571868896484	160.0
89.8738021850586	180.0
90.08914947509766	132.0
90.24589538574219	248.0
90.27615356445312	152.0
90.31397247314453	140.0
90.69834899902344	200.0
90.7666015625	148.0
90.90507507324219	156.0
90.96405792236328	156.0
91.00947570800781	172.0
91.07099151611328	104.0
91.08889770507812	156.0
91.11772918701172	156.0
91.18804168701172	156.0
91.20995330810547	144.0
91.26407623291016	168.0
91.45812225341797	144.0
91.54570007324219	180.0
91.98421478271484	176.0
92.06822204589844	164.0
92.21724700927734	160.0
92.39508056640625	148.0
92.71484375	164.0
92.86630249023438	160.0
92.8934097290039	124.0
92.95477294921875	176.0
93.0582046508789	188.0
93.07356262207031	140.0
93.38921356201172	160.0
93.74874877929688	140.0
93.8875503540039	172.0
93.9158935546875	144.0
94.02259826660156	168.0
94.364501953125	140.0
94.5078125	204.0
94.6237564086914	148.0
94.7853012084961	216.0
94.80352020263672	168.0
95.07344818115234	180.0
95.12904357910156	112.0
95.17633056640625	180.0
95.28623962402344	204.0
95.32437133789062	236.0
95.34339141845703	172.0
95.52032470703125	144.0
95.54561614990234	212.0
95.56312561035156	176.0
95.76752471923828	156.0
95.82596588134766	320.0
96.01699829101562	144.0
96.0641098022461	156.0
96.1828384399414	172.0
96.22383880615234	144.0
96.43090057373047	148.0
96.5001220703125	136.0
96.67599487304688	196.0
96.94168090820312	164.0
96.98284149169922	148.0
97.04563903808594	324.0
97.1495132446289	152.0
97.1769790649414	176.0
97.20523834228516	140.0
97.35354614257812	168.0
97.3713150024414	176.0
97.50688171386719	188.0
97.58631896972656	272.0
97.6346664428711	156.0
97.750732421875	152.0
97.87080383300781	156.0
97.88959503173828	140.0
98.00773620605469	208.0
98.16637420654297	196.0
98.3636703491211	160.0
98.41302490234375	144.0
98.4337387084961	236.0
98.71251678466797	120.0
99.02333068847656	152.0
99.17301940917969	184.0
99.48210906982422	148.0
99.54176330566406	176.0
99.57742309570312	124.0
99.7562484741211	144.0
99.79862976074219	240.0
99.9726791381836	108.0
100.0486831665039	140.0
100.11040496826172	208.0
100.25184631347656	176.0
100.41365814208984	132.0
100.47309875488281	116.0
100.58891296386719	144.0
100.8285903930664	220.0
100.88855743408203	224.0
101.0387191772461	280.0
101.06646728515625	184.0
101.27275085449219	184.0
101.50923156738281	156.0
101.53329467773438	144.0
101.62870788574219	156.0
101.66570281982422	156.0
101.81024169921875	140.0
101.83233642578125	152.0
101.98454284667969	136.0
102.17707824707031	152.0
102.31836700439453	176.0
102.3511734008789	176.0
102.52616119384766	148.0
102.55061340332031	164.0
102.77042388916016	172.0
102.7966537475586	164.0
102.9761962890625	120.0
103.03289031982422	168.0
103.05387115478516	656.0
103.17435455322266	180.0
103.21479034423828	172.0
103.29869842529297	180.0
103.35233306884766	140.0
103.36650085449219	152.0
103.57524108886719	168.0
103.81012725830078	236.0
103.85271453857422	156.0
103.97241973876953	180.0
104.01683807373047	172.0
104.06782531738281	220.0
104.10317993164062	136.0
104.13687133789062	228.0
104.32442474365234	132.0
104.46615600585938	144.0
104.50476837158203	176.0
104.57196807861328	224.0
104.66561126708984	156.0
104.88359832763672	188.0
104.93037414550781	96.0
105.0875244140625	140.0
105.2486572265625	140.0
105.48678588867188	96.0
105.59822082519531	148.0
105.7578125	188.0
105.80075073242188	168.0
105.911376953125	140.0
105.95848846435547	168.0
106.0363540649414	144.0
106.4451904296875	268.0
106.49182891845703	160.0
106.66031646728516	160.0
106.8647689819336	144.0
107.14927673339844	152.0
107.28816986083984	172.0
107.35636138916016	220.0
107.42916870117188	168.0
107.52681732177734	172.0
107.54808044433594	148.0
107.77171325683594	152.0
107.82838439941406	268.0
108.19302368164062	168.0
108.22467041015625	112.0
108.34005737304688	152.0
108.65310668945312	140.0
108.75444793701172	100.0
108.78750610351562	136.0
108.80783081054688	216.0
108.88031768798828	284.0
108.91258239746094	196.0
108.97698211669922	196.0
108.99712371826172	156.0
109.02642059326172	212.0
109.04589080810547	97352.0
109.12761688232422	196.0
109.14818572998047	120.0
109.23576354980469	176.0
109.30734252929688	168.0
109.3547592163086	112.0
109.38678741455078	464.0
109.47028350830078	232.0
109.76698303222656	128.0
109.9462890625	252.0
110.04878234863281	9068.0
110.12899017333984	172.0
110.19766235351562	96.0
110.21881866455078	212.0
110.28511047363281	144.0
110.39859008789062	188.0
110.57974243164062	148.0
110.68199920654297	144.0
110.71668243408203	296.0
110.81723022460938	144.0
110.8697509765625	124.0
110.90618133544922	224.0
110.96066284179688	124.0
111.05121612548828	320.0
111.17160034179688	144.0
111.21566772460938	212.0
111.33659362792969	172.0
111.80187225341797	116.0
111.82167053222656	184.0
111.86395263671875	136.0
111.893798828125	136.0
112.05683135986328	152.0
112.17695617675781	148.0
112.216064453125	152.0
112.35620880126953	156.0
112.53137969970703	152.0
112.5609359741211	152.0
112.57877349853516	144.0
112.71724700927734	168.0
112.84829711914062	280.0
113.04077911376953	252.0
113.30332946777344	160.0
113.35417938232422	172.0
113.72531127929688	160.0
114.29698181152344	172.0
114.48004913330078	148.0
114.57017517089844	164.0
114.6508560180664	132.0
114.70801544189453	152.0
114.77998352050781	228.0
115.02678680419922	192.0
115.05587768554688	376.0
115.37519836425781	164.0
115.54727935791016	140.0
115.60804748535156	160.0
115.62431335449219	140.0
115.662841796875	140.0
115.82472229003906	152.0
115.91372680664062	164.0
115.94770050048828	176.0
116.0500717163086	20956.0
116.08064270019531	160.0
116.13465881347656	220.0
116.50988006591797	308.0
117.05339813232422	908.0
117.23929595947266	152.0
117.38761138916016	96.0
117.58003997802734	232.0
117.7716293334961	152.0
117.80675506591797	172.0
118.06390380859375	140.0
118.27599334716797	156.0
118.35076904296875	216.0
118.8841781616211	176.0
119.00006103515625	144.0
119.02136993408203	108.0
119.08729553222656	184.0
119.13036346435547	172.0
119.17381286621094	144.0
119.24769592285156	152.0
119.83088684082031	148.0
120.0335922241211	156.0
120.47330474853516	160.0
120.53346252441406	160.0
120.8964614868164	140.0
120.95747375488281	132.0
121.04682159423828	1344.0
121.10980987548828	160.0
121.17454528808594	152.0
121.28849792480469	176.0
121.35955810546875	116.0
121.59503173828125	100.0
121.64823913574219	148.0
121.93598175048828	192.0
122.08487701416016	148.0
122.18885040283203	164.0
122.24385833740234	144.0
122.35391235351562	212.0
122.41776275634766	144.0
122.95513153076172	164.0
123.0254135131836	1664.0
123.06034088134766	1124.0
123.4468994140625	188.0
123.5616683959961	112.0
123.5876693725586	144.0
124.02886962890625	264.0
124.06818389892578	204.0
124.28720092773438	180.0
124.38057708740234	180.0
124.39462280273438	184.0
124.44888305664062	100.0
125.04112243652344	284.0
125.14802551269531	188.0
125.22373962402344	168.0
125.40644073486328	168.0
125.64057159423828	152.0
126.25035095214844	184.0
126.61466979980469	96.0
126.72041320800781	180.0
126.80213928222656	148.0
126.83918762207031	144.0
126.8660888671875	240.0
127.05908203125	212.0
127.13299560546875	172.0
127.35526275634766	140.0
127.84158325195312	192.0
128.06143188476562	276.0
128.16122436523438	120.0
128.51614379882812	136.0
128.67137145996094	160.0
128.9210662841797	140.0
129.02957153320312	152.0
129.06996154785156	2488.0
129.18014526367188	172.0
129.35240173339844	136.0
129.36891174316406	144.0
129.93875122070312	188.0
130.04513549804688	196.0
130.0654754638672	2256.0
130.14881896972656	156.0
130.32371520996094	152.0
130.50099182128906	164.0
130.52145385742188	160.0
130.7534942626953	160.0
130.82875061035156	188.0
131.071533203125	344.0
131.27548217773438	152.0
131.4416961669922	180.0
131.7613525390625	188.0
132.0447998046875	172.0
132.18667602539062	124.0
132.46824645996094	152.0
132.5598907470703	212.0
133.04534912109375	960.0
133.25685119628906	144.0
133.3516387939453	172.0
133.5033721923828	148.0
133.6966094970703	140.0
133.7817840576172	144.0
133.8094024658203	140.0
133.90380859375	156.0
134.0464324951172	148.0
134.05540466308594	228.0
134.1388397216797	160.0
134.1553955078125	172.0
134.202392578125	196.0
134.37867736816406	184.0
134.45944213867188	208.0
134.4755859375	164.0
134.51483154296875	164.0
134.57716369628906	216.0
134.62103271484375	188.0
135.00927734375	140.0
135.0323944091797	200.0
135.05792236328125	128.0
135.34088134765625	144.0
135.4453887939453	156.0
135.49212646484375	164.0
135.54637145996094	196.0
135.69467163085938	180.0
135.7132110595703	164.0
136.0356903076172	140.0
136.06556701660156	152.0
136.1471405029297	144.0
136.3707275390625	152.0
136.3966827392578	148.0
136.53990173339844	152.0
136.70040893554688	180.0
136.78860473632812	112.0
136.84706115722656	160.0
136.98678588867188	140.0
137.0363006591797	160.0
137.0785369873047	476.0
137.1323699951172	196.0
137.35975646972656	144.0
137.53709411621094	156.0
137.57911682128906	160.0
137.62078857421875	132.0
137.90774536132812	152.0
138.0795440673828	356.0
138.13059997558594	144.0
138.14932250976562	188.0
138.3303680419922	212.0
138.3599395751953	144.0
138.493408203125	152.0
138.53323364257812	152.0
138.964599609375	156.0
139.01153564453125	156.0
139.0541229248047	476.0
139.4741973876953	252.0
139.53297424316406	156.0
139.60243225097656	120.0
139.6623077392578	216.0
139.73052978515625	204.0
139.79876708984375	160.0
139.81863403320312	108.0
140.05032348632812	5108.0
140.16845703125	156.0
140.18966674804688	140.0
140.4905242919922	112.0
140.52003479003906	148.0
140.5381622314453	192.0
140.5679931640625	248.0
140.654296875	172.0
140.8041534423828	140.0
140.8739013671875	268.0
141.05242919921875	1076.0
141.101318359375	120.0
141.3207244873047	144.0
141.5787353515625	208.0
141.69480895996094	144.0
141.7611541748047	160.0
141.78627014160156	200.0
142.06497192382812	1588.0
142.13523864746094	100.0
142.24972534179688	188.0
142.57749938964844	140.0
142.65830993652344	172.0
143.13095092773438	196.0
143.2538604736328	260.0
143.29611206054688	148.0
143.40960693359375	112.0
143.5106201171875	200.0
143.6322479248047	180.0
143.6632537841797	220.0
144.04403686523438	2380.0
144.0929718017578	144.0
144.60354614257812	116.0
144.7986297607422	140.0
145.04486083984375	324.0
145.2996063232422	224.0
145.47479248046875	168.0
145.85780334472656	172.0
145.92764282226562	156.0
146.05374145507812	1120.0
146.2415771484375	160.0
146.28009033203125	244.0
146.33787536621094	188.0
146.41493225097656	180.0
146.45346069335938	148.0
146.57391357421875	152.0
146.88973999023438	160.0
146.91627502441406	160.0
147.05831909179688	1516.0
147.1155548095703	140.0
147.19142150878906	180.0
147.2608184814453	152.0
147.47166442871094	176.0
147.79283142089844	168.0
147.82716369628906	164.0
147.87799072265625	140.0
147.94818115234375	152.0
148.07107543945312	244.0
148.09347534179688	164.0
148.49667358398438	180.0
148.52734375	152.0
148.58555603027344	252.0
148.66563415527344	164.0
148.89962768554688	124.0
148.94210815429688	160.0
149.01528930664062	140.0
149.04644775390625	252.0
149.11978149414062	164.0
149.26321411132812	148.0
150.34017944335938	108.0
150.6146697998047	172.0
150.79415893554688	176.0
150.97508239746094	144.0
151.00686645507812	140.0
151.0557861328125	164.0
151.0753631591797	148.0
151.40028381347656	144.0
151.6532440185547	156.0
151.75619506835938	148.0
151.8812713623047	144.0
151.92787170410156	196.0
151.9945831298828	188.0
152.05007934570312	164.0
152.08804321289062	252.0
152.4434814453125	208.0
152.5107879638672	196.0
152.8295440673828	172.0
153.0565643310547	624.0
153.2062225341797	200.0
153.35777282714844	108.0
153.43048095703125	168.0
153.6820526123047	156.0
153.72691345214844	180.0
153.95851135253906	184.0
154.06521606445312	2648.0
154.15367126464844	164.0
154.26983642578125	144.0
154.4048309326172	128.0
154.5220947265625	156.0
154.87564086914062	128.0
154.91177368164062	216.0
155.06895446777344	624.0
155.2457733154297	148.0
155.4696502685547	284.0
155.64369201660156	132.0
155.73179626464844	220.0
155.89576721191406	184.0
155.9752960205078	140.0
156.0375518798828	116.0
156.0810089111328	8164.0
156.13938903808594	152.0
156.22645568847656	148.0
156.49851989746094	112.0
156.55001831054688	216.0
156.72117614746094	180.0
156.9462127685547	192.0
156.98707580566406	124.0
157.08294677734375	1224.0
157.123291015625	204.0
157.2056427001953	140.0
157.23558044433594	164.0
157.65513610839844	196.0
157.70570373535156	140.0
157.98878479003906	172.0
158.06109619140625	540.0
158.68051147460938	168.0
159.06068420410156	1244.0
159.3917236328125	164.0
159.62188720703125	204.0
159.8611602783203	156.0
160.01548767089844	148.0
160.06666564941406	160.0
160.43370056152344	260.0
160.72879028320312	180.0
160.8543701171875	236.0
161.1218719482422	260.0
161.22042846679688	224.0
161.82144165039062	300.0
161.92286682128906	160.0
162.18040466308594	276.0
162.54559326171875	148.0
162.636962890625	152.0
162.90866088867188	168.0
162.98487854003906	148.0
163.0574188232422	212.0
163.09669494628906	156.0
163.36978149414062	184.0
163.94676208496094	176.0
164.02378845214844	156.0
164.0792999267578	140.0
164.4134521484375	144.0
164.65853881835938	232.0
164.85780334472656	160.0
164.88473510742188	168.0
164.9915313720703	176.0
165.04730224609375	180.0
165.37185668945312	168.0
165.392333984375	152.0
165.4409637451172	272.0
165.8828582763672	112.0
166.03453063964844	164.0
166.06568908691406	26764.0
166.1285858154297	136.0
166.17137145996094	172.0
166.197021484375	172.0
166.4082794189453	156.0
166.52162170410156	176.0
166.61676025390625	232.0
166.70030212402344	144.0
166.7388458251953	176.0
166.9856719970703	184.0
167.0694580078125	3048.0
167.18458557128906	180.0
167.31256103515625	96.0
167.33877563476562	144.0
167.39999389648438	156.0
167.4769744873047	164.0
167.63784790039062	108.0
167.70191955566406	104.0
167.9205780029297	232.0
167.98764038085938	168.0
168.02117919921875	176.0
168.0802459716797	2572.0
168.18106079101562	100.0
168.2560272216797	144.0
168.30923461914062	244.0
168.4173126220703	200.0
168.693359375	124.0
168.71328735351562	256.0
168.9000244140625	188.0
168.92196655273438	116.0
169.05252075195312	216.0
169.0796356201172	432.0
169.12716674804688	164.0
169.4546661376953	112.0
169.5482177734375	148.0
169.7488555908203	136.0
169.8604736328125	176.0
170.03170776367188	152.0
170.05886840820312	664.0
170.08555603027344	280.0
170.5008087158203	128.0
170.6785430908203	164.0
170.69935607910156	144.0
170.8255615234375	152.0
170.8572540283203	164.0
171.06455993652344	232.0
171.11827087402344	148.0
171.2015838623047	164.0
171.26197814941406	168.0
171.37030029296875	236.0
171.55157470703125	148.0
171.64979553222656	140.0
171.80628967285156	228.0
172.1685791015625	120.0
172.2265625	192.0
172.42141723632812	124.0
173.05113220214844	164.0
173.14981079101562	152.0
173.31484985351562	144.0
173.51937866210938	104.0
173.61630249023438	148.0
173.79205322265625	144.0
174.42759704589844	180.0
174.59671020507812	212.0
174.94317626953125	156.0
175.08480834960938	192.0
176.08827209472656	436.0
176.25396728515625	148.0
176.3665313720703	124.0
176.59234619140625	156.0
176.6547393798828	156.0
176.8119354248047	172.0
176.8685302734375	136.0
176.92840576171875	176.0
177.09500122070312	140.0
177.20648193359375	152.0
177.34957885742188	240.0
177.77923583984375	168.0
178.0287628173828	168.0
178.05267333984375	152.0
178.1020050048828	300.0
178.2705078125	144.0
178.31976318359375	128.0
178.43264770507812	144.0
178.51773071289062	176.0
178.56826782226562	212.0
178.6134796142578	216.0
178.6773223876953	176.0
178.7101593017578	100.0
178.76246643066406	196.0
178.7864227294922	184.0
178.9328155517578	152.0
179.0606231689453	168.0
179.31639099121094	188.0
179.47900390625	156.0
179.63902282714844	156.0
179.7444610595703	184.0
179.80599975585938	200.0
179.98321533203125	120.0
180.1328582763672	156.0
180.4241485595703	140.0
180.4508819580078	164.0
180.53109741210938	144.0
180.76918029785156	140.0
180.97019958496094	160.0
181.02447509765625	152.0
181.3641815185547	120.0
181.94046020507812	144.0
182.16746520996094	112.0
182.2858428955078	176.0
182.3229217529297	156.0
182.45089721679688	168.0
182.621337890625	156.0
182.72048950195312	232.0
182.7900390625	128.0
183.0071258544922	140.0
183.0607452392578	596.0
183.09075927734375	496.0
183.3157501220703	136.0
183.64918518066406	148.0
183.78955078125	116.0
183.83734130859375	124.0
183.86367797851562	128.0
183.99728393554688	148.0
184.0756378173828	1788.0
184.31321716308594	180.0
184.3647003173828	152.0
184.46463012695312	152.0
184.76661682128906	240.0
185.075927734375	164.0
185.31982421875	208.0
185.42550659179688	180.0
185.53663635253906	140.0
185.661376953125	140.0
185.76986694335938	148.0
186.0548095703125	160.0
186.08782958984375	124.0
186.141357421875	128.0
186.6525421142578	148.0
186.86741638183594	264.0
186.9413299560547	120.0
186.99803161621094	212.0
187.06044006347656	224.0
187.1232452392578	140.0
187.26991271972656	172.0
188.14151000976562	116.0
188.6467742919922	176.0
188.67234802246094	168.0
188.71388244628906	176.0
188.98191833496094	252.0
189.02328491210938	328.0
189.0717010498047	372.0
189.12149047851562	156.0
189.4278564453125	176.0
189.52130126953125	220.0
189.5746307373047	200.0
189.7515411376953	156.0
189.77894592285156	208.0
190.06515502929688	1608.0
190.67384338378906	208.0
190.89564514160156	96.0
191.02371215820312	180.0
191.06886291503906	268.0
191.109375	156.0
191.14134216308594	164.0
191.1826171875	172.0
191.2431640625	168.0
191.28445434570312	208.0
191.59286499023438	200.0
191.6452178955078	208.0
191.9989776611328	204.0
192.0283966064453	156.0
192.05322265625	160.0
192.12225341796875	152.0
192.19114685058594	160.0
192.77232360839844	212.0
192.8152313232422	200.0
192.87327575683594	184.0
193.0806427001953	196.0
193.1259307861328	180.0
193.18545532226562	116.0
193.31301879882812	188.0
193.37290954589844	224.0
193.71170043945312	144.0
193.8640899658203	164.0
194.02288818359375	124.0
194.0513153076172	316.0
194.22727966308594	144.0
194.6176300048828	176.0
195.05685424804688	248.0
195.30221557617188	204.0
195.44410705566406	152.0
195.50253295898438	172.0
196.06849670410156	692.0
196.81842041015625	132.0
197.07298278808594	612.0
197.10533142089844	376.0
197.8499298095703	164.0
198.0338592529297	164.0
198.25326538085938	240.0
198.41864013671875	168.0
198.86746215820312	260.0
198.9083251953125	292.0
199.0576171875	208.0
199.31117248535156	252.0
199.40672302246094	208.0
200.05084228515625	188.0
200.1095733642578	116.0
200.1859893798828	156.0
200.50714111328125	188.0
200.6915283203125	168.0
200.76368713378906	140.0
200.8257293701172	148.0
200.99217224121094	188.0
201.017578125	172.0
201.0636444091797	172.0
201.18409729003906	160.0
201.2349090576172	148.0
201.47215270996094	256.0
201.51364135742188	196.0
201.7858428955078	168.0
201.99588012695312	164.0
202.0758819580078	1168.0
202.13677978515625	160.0
202.3516845703125	144.0
202.70291137695312	204.0
202.79501342773438	120.0
202.9495086669922	196.0
203.0390625	152.0
203.07211303710938	1196.0
203.18492126464844	140.0
203.6192169189453	208.0
203.79725646972656	112.0
203.9772186279297	152.0
204.07521057128906	612.0
204.12789916992188	152.0
204.209716796875	108.0
204.28717041015625	140.0
204.3753662109375	200.0
204.47901916503906	320.0
204.61729431152344	140.0
204.6460723876953	144.0
204.73577880859375	156.0
205.03448486328125	216.0
205.06106567382812	116.0
205.09396362304688	168.0
205.35247802734375	140.0
205.5481719970703	180.0
205.84762573242188	140.0
205.91757202148438	148.0
206.00315856933594	108.0
206.17164611816406	112.0
206.1986083984375	176.0
206.31761169433594	192.0
206.60513305664062	172.0
206.6865692138672	156.0
206.8983612060547	156.0
206.92538452148438	148.0
207.063720703125	704.0
207.45985412597656	152.0
207.600341796875	192.0
208.05792236328125	668.0
208.5160369873047	100.0
208.5692596435547	108.0
208.760498046875	236.0
209.07008361816406	264.0
209.11279296875	244.0
209.46275329589844	168.0
209.62257385253906	128.0
210.0179901123047	224.0
210.07008361816406	468.0
210.13446044921875	152.0
210.25897216796875	160.0
210.54722595214844	168.0
210.62521362304688	188.0
210.81878662109375	164.0
210.8708038330078	148.0
210.89682006835938	140.0
211.06546020507812	220.0
211.12574768066406	176.0
211.1859588623047	152.0
211.2803955078125	136.0
211.51315307617188	148.0
211.5426025390625	124.0
211.6779327392578	144.0
211.75323486328125	208.0
211.81695556640625	212.0
212.04417419433594	148.0
212.07522583007812	120.0
212.1326904296875	96.0
212.1704864501953	152.0
212.2052764892578	228.0
212.40248107910156	176.0
212.695556640625	164.0
213.06814575195312	312.0
213.15150451660156	156.0
213.22998046875	160.0
213.42127990722656	208.0
213.864013671875	176.0
214.06930541992188	640.0
214.14352416992188	156.0
214.17469787597656	160.0
214.24839782714844	144.0
214.3008270263672	156.0
214.33526611328125	176.0
214.66775512695312	188.0
214.70309448242188	148.0
214.7351837158203	208.0
215.0859375	6484.0
215.14877319335938	108.0
215.3042755126953	192.0
215.62857055664062	208.0
215.78640747070312	160.0
215.8816375732422	184.0
215.9121551513672	172.0
216.0221710205078	232.0
216.0865020751953	1688.0
216.177001953125	120.0
216.23484802246094	132.0
216.65267944335938	200.0
216.69662475585938	200.0
217.0865020751953	332.0
217.37814331054688	140.0
217.8319549560547	184.0
217.95828247070312	152.0
218.00531005859375	240.0
218.06045532226562	2900.0
218.12875366210938	160.0
218.25515747070312	196.0
218.4375	200.0
218.46102905273438	180.0
218.58297729492188	188.0
218.6342010498047	164.0
218.92442321777344	148.0
219.0334014892578	236.0
219.064208984375	896.0
219.20138549804688	228.0
219.2766571044922	164.0
219.34335327148438	204.0
219.67515563964844	160.0
219.89601135253906	212.0
220.06613159179688	4832.0
220.13119506835938	120.0
220.2769012451172	156.0
220.4453125	140.0
220.55465698242188	168.0
220.608642578125	184.0
220.7290802001953	188.0
220.85877990722656	136.0
220.90357971191406	160.0
220.9683074951172	132.0
221.00416564941406	184.0
221.0647430419922	19832.0
221.1614990234375	168.0
221.2869110107422	136.0
221.32534790039062	172.0
221.6887664794922	204.0
221.99249267578125	164.0
222.0715789794922	13536.0
222.1650390625	180.0
222.3346710205078	196.0
222.39434814453125	112.0
222.4333953857422	120.0
222.50743103027344	196.0
222.70750427246094	172.0
223.07650756835938	1780.0
223.55841064453125	196.0
223.61453247070312	96.0
223.67445373535156	240.0
223.7584686279297	184.0
223.80320739746094	144.0
223.84481811523438	152.0
224.05038452148438	880.0
224.0845947265625	760.0
224.12664794921875	168.0
224.3616180419922	112.0
224.44970703125	216.0
224.5302276611328	144.0
224.58091735839844	156.0
224.601806640625	172.0
224.76588439941406	200.0
224.95814514160156	160.0
225.0203094482422	180.0
225.0541229248047	344.0
225.2600860595703	228.0
225.4467315673828	140.0
225.6492156982422	116.0
226.0684051513672	464.0
226.3747100830078	132.0
226.51419067382812	148.0
226.54434204101562	160.0
226.583740234375	144.0
226.82647705078125	160.0
226.9044189453125	160.0
227.01495361328125	172.0
227.07334899902344	18560.0
227.1374969482422	228.0
227.15933227539062	156.0
227.25021362304688	172.0
227.4214630126953	132.0
227.45126342773438	124.0
227.7795867919922	152.0
227.81109619140625	100.0
228.07652282714844	2928.0
228.13131713867188	148.0
228.34877014160156	168.0
228.47274780273438	184.0
228.52638244628906	168.0
228.6556396484375	156.0
229.08615112304688	1108.0
229.13140869140625	204.0
229.15391540527344	108.0
229.3824462890625	200.0
229.57147216796875	144.0
229.72743225097656	152.0
229.82870483398438	160.0
229.86517333984375	200.0
229.9636688232422	204.0
230.00592041015625	148.0
230.0618438720703	224.0
230.08749389648438	236.0
230.193115234375	188.0
230.356201171875	188.0
230.55101013183594	184.0
230.6644287109375	144.0
230.7071990966797	132.0
230.76742553710938	148.0
231.04495239257812	132.0
231.07650756835938	136.0
231.10089111328125	148.0
231.3107452392578	156.0
231.77110290527344	160.0
231.8114776611328	184.0
231.97503662109375	116.0
232.00848388671875	228.0
232.05648803710938	648.0
232.1119842529297	168.0
232.19216918945312	196.0
232.23287963867188	164.0
232.3087158203125	192.0
232.42282104492188	204.0
232.52413940429688	152.0
232.70323181152344	272.0
233.07545471191406	4568.0
233.10870361328125	404.0
233.1436767578125	156.0
233.44371032714844	144.0
233.56021118164062	152.0
233.7111358642578	124.0
233.76708984375	156.0
233.86715698242188	132.0
233.8876190185547	176.0
233.94970703125	196.0
233.98623657226562	232.0
234.02699279785156	104.0
234.07237243652344	83324.0
234.13626098632812	108.0
234.25650024414062	104.0
234.3035430908203	172.0
234.43911743164062	172.0
234.6216278076172	128.0
234.69960021972656	140.0
234.74978637695312	216.0
234.80592346191406	168.0
234.88232421875	148.0
234.9780731201172	128.0
235.0819854736328	9444.0
235.20758056640625	108.0
235.42848205566406	152.0
235.46337890625	132.0
235.4893798828125	132.0
235.64871215820312	164.0
235.7981414794922	180.0
235.8250274658203	156.0
235.9455108642578	140.0
235.97715759277344	128.0
236.0883331298828	6572.0
236.2389373779297	152.0
236.44528198242188	124.0
236.47598266601562	120.0
236.59857177734375	124.0
236.7919921875	156.0
236.8618621826172	152.0
236.8966064453125	216.0
236.9691925048828	144.0
237.05857849121094	1504.0
237.0889129638672	1328.0
237.5503692626953	132.0
237.5988006591797	148.0
237.69680786132812	148.0
237.78700256347656	108.0
237.81036376953125	148.0
237.99916076660156	316.0
238.0663604736328	13780.0
238.25454711914062	104.0
238.5594024658203	136.0
238.60414123535156	108.0
238.71664428710938	228.0
238.8018798828125	112.0
238.9280548095703	180.0
238.9727020263672	148.0
239.06971740722656	1972.0
239.51376342773438	316.0
239.54457092285156	172.0
239.59385681152344	192.0
239.8527069091797	180.0
239.9610595703125	272.0
240.0811309814453	4248.0
240.3455047607422	116.0
240.49325561523438	156.0
240.65301513671875	132.0
240.7443389892578	160.0
241.0886688232422	6872.0
241.2185516357422	116.0
241.2452850341797	212.0
241.42025756835938	144.0
241.551025390625	164.0
241.58424377441406	132.0
241.7490234375	180.0
241.94712829589844	164.0
242.09765625	15832.0
242.31471252441406	144.0
242.44395446777344	160.0
243.0988006591797	2296.0
243.17739868164062	152.0
243.21592712402344	104.0
243.42918395996094	144.0
243.48715209960938	132.0
243.51260375976562	116.0
243.61795043945312	140.0
243.82371520996094	232.0
244.03097534179688	592.0
244.07012939453125	1000.0
244.1015167236328	760.0
244.20924377441406	188.0
244.3188018798828	128.0
244.462646484375	132.0
244.59194946289062	140.0
244.6597137451172	120.0
244.70091247558594	184.0
245.07601928710938	1628.0
245.1359405517578	180.0
245.2232666015625	116.0
245.29153442382812	264.0
245.34268188476562	144.0
245.41439819335938	184.0
246.0333709716797	340.0
246.07398986816406	8100.0
246.15499877929688	168.0
246.1839141845703	176.0
246.2950897216797	212.0
246.3826904296875	136.0
246.54632568359375	116.0
246.71942138671875	184.0
246.82333374023438	256.0
246.94847106933594	204.0
247.02587890625	140.0
247.08035278320312	58096.0
247.25595092773438	180.0
247.38922119140625	188.0
247.43170166015625	124.0
247.55169677734375	176.0
247.5796661376953	120.0
247.6403045654297	136.0
247.8810272216797	356.0
247.93258666992188	152.0
248.006103515625	184.0
248.0828094482422	9880.0
248.32386779785156	192.0
248.3571319580078	168.0
248.5737762451172	136.0
248.7435760498047	236.0
249.02809143066406	156.0
249.08407592773438	1672.0
249.31051635742188	152.0
249.415283203125	184.0
249.43898010253906	200.0
249.5284423828125	168.0
249.6367645263672	276.0
249.66749572753906	128.0
249.71397399902344	220.0
249.75221252441406	164.0
249.85562133789062	124.0
249.8838348388672	148.0
249.9310302734375	168.0
249.96632385253906	156.0
249.9984893798828	120.0
250.03079223632812	180.0
250.10299682617188	9440.0
250.22296142578125	192.0
250.25015258789062	108.0
250.29356384277344	204.0
250.38783264160156	152.0
250.4623565673828	156.0
250.54872131347656	128.0
250.57623291015625	148.0
250.62139892578125	204.0
250.6962127685547	168.0
250.9558563232422	160.0
250.99317932128906	156.0
251.1060791015625	2184.0
251.68141174316406	148.0
251.9298858642578	156.0
252.04226684570312	204.0
252.08065795898438	152.0
252.10986328125	272.0
252.2174530029297	140.0
252.2996368408203	164.0
252.52340698242188	124.0
252.85830688476562	124.0
252.88674926757812	124.0
253.23626708984375	140.0
254.06849670410156	240.0
254.10243225097656	228.0
254.2737274169922	124.0
254.4095001220703	148.0
254.6337432861328	132.0
254.90179443359375	332.0
254.94944763183594	164.0
255.06675720214844	264.0
255.48680114746094	160.0
256.07977294921875	168.0
256.5345153808594	144.0
256.66204833984375	144.0
257.04132080078125	148.0
257.43426513671875	164.0
257.5077209472656	184.0
257.60308837890625	204.0
258.0495300292969	632.0
258.0756530761719	116.0
258.1724548339844	188.0
258.319580078125	184.0
258.3880920410156	96.0
258.606201171875	176.0
259.0777587890625	244.0
259.24298095703125	112.0
259.2979736328125	172.0
259.71295166015625	208.0
259.9471435546875	144.0
260.0878601074219	5328.0
260.337646484375	248.0
260.36126708984375	284.0
260.6150207519531	200.0
260.6966552734375	160.0
260.8560791015625	184.0
260.9617919921875	148.0
261.02349853515625	104.0
261.09478759765625	5792.0
261.2033386230469	140.0
261.3738708496094	184.0
261.5154724121094	156.0
261.55731201171875	164.0
261.6409912109375	208.0
261.6960144042969	176.0
261.76043701171875	132.0
261.8326721191406	116.0
261.8803405761719	196.0
261.90826416015625	240.0
261.9361267089844	180.0
261.96978759765625	116.0
262.00518798828125	324.0
262.0606384277344	376.0
262.1036682128906	140312.0
262.190673828125	176.0
262.275634765625	196.0
262.3182373046875	300.0
262.3608703613281	300.0
262.464599609375	176.0
262.51104736328125	152.0
262.5602111816406	256.0
262.58892822265625	132.0
262.6321105957031	160.0
262.67694091796875	136.0
262.81085205078125	224.0
262.8521423339844	120.0
262.9569091796875	180.0
263.0452575683594	184.0
263.10595703125	24068.0
263.197265625	156.0
263.2356262207031	184.0
263.2628479003906	196.0
263.4714660644531	128.0
263.5949401855469	188.0
263.7666015625	252.0
264.0260314941406	124.0
264.1088562011719	2260.0
264.1742858886719	104.0
264.39013671875	108.0
264.4715270996094	120.0
264.5508728027344	172.0
264.7168884277344	148.0
264.885986328125	140.0
264.9450378417969	96.0
265.06036376953125	160.0
265.10430908203125	116.0
265.2480773925781	156.0
265.3140563964844	164.0
265.4795837402344	228.0
265.53369140625	164.0
265.7942199707031	144.0
265.8894958496094	180.0
266.0158996582031	172.0
266.1385192871094	116.0
266.2439880371094	168.0
266.6092834472656	140.0
266.6352844238281	204.0
267.24700927734375	192.0
267.66650390625	204.0
268.0248107910156	152.0
268.11395263671875	420.0
268.26666259765625	176.0
268.37640380859375	148.0
268.6270446777344	100.0
269.0910339355469	112.0
269.11444091796875	232.0
269.444091796875	220.0
269.9114685058594	144.0
270.02386474609375	272.0
270.36944580078125	164.0
271.0407409667969	160.0
271.3447265625	108.0
271.3717956542969	140.0
271.47015380859375	232.0
271.7581787109375	144.0
272.0650939941406	164.0
272.15924072265625	144.0
272.4252624511719	204.0
272.6519775390625	180.0
272.7374267578125	208.0
273.4452209472656	164.0
273.6223449707031	144.0
273.7250061035156	152.0
274.09002685546875	148.0
274.2146301269531	124.0
274.59771728515625	160.0
274.6603698730469	140.0
274.784912109375	192.0
274.97052001953125	152.0
275.040771484375	208.0
275.1091613769531	144.0
275.47747802734375	132.0
275.5682067871094	148.0
275.5913391113281	156.0
275.6177673339844	172.0
275.7908630371094	96.0
275.82928466796875	140.0
275.8788757324219	176.0
276.189697265625	160.0
276.2972717285156	116.0
276.80535888671875	116.0
276.8350524902344	160.0
276.9001770019531	96.0
276.9609069824219	160.0
276.9904479980469	188.0
277.11395263671875	272.0
277.4844970703125	176.0
277.7066650390625	172.0
277.92230224609375	140.0
278.1158752441406	232.0
278.32061767578125	184.0
278.6666259765625	176.0
279.12139892578125	148.0
280.11376953125	22196.0
280.4815979003906	148.0
280.6030578613281	160.0
280.62518310546875	208.0
280.79937744140625	196.0
281.11676025390625	2804.0
281.2268371582031	140.0
281.49566650390625	124.0
281.65423583984375	192.0
282.11737060546875	700.0
282.285888671875	140.0
282.61895751953125	128.0
282.8211669921875	196.0
283.29583740234375	164.0
283.5237731933594	108.0
283.5647277832031	156.0
283.5982360839844	152.0
283.8597412109375	152.0
283.9435729980469	140.0
284.0539245605469	140.0
284.2005310058594	108.0
284.4065856933594	140.0
284.99761962890625	200.0
285.0606384277344	788.0
285.1488342285156	144.0
285.4009704589844	144.0
285.4413146972656	156.0
285.8988037109375	156.0
286.04534912109375	400.0
286.2556457519531	152.0
286.60260009765625	144.0
286.9552307128906	212.0
287.05517578125	160.0
287.11676025390625	144.0
287.2296447753906	140.0
287.2802429199219	172.0
287.715576171875	156.0
287.80950927734375	136.0
287.85064697265625	168.0
287.995849609375	200.0
288.03009033203125	144.0
288.1579895019531	168.0
288.5263671875	144.0
288.5804748535156	176.0
288.7654724121094	164.0
289.0557556152344	168.0
289.30615234375	224.0
289.8416442871094	292.0
289.92132568359375	100.0
290.0393981933594	160.0
290.1105651855469	556.0
290.1861572265625	160.0
290.3819885253906	204.0
291.05731201171875	160.0
291.1163024902344	2808.0
291.2304992675781	188.0
291.2542724609375	164.0
291.3197021484375	192.0
291.7596435546875	124.0
291.8625793457031	140.0
291.9918212890625	260.0
292.0639343261719	168.0
292.1213073730469	748.0
292.5872802734375	156.0
292.9875183105469	128.0
293.0942687988281	164.0
293.1337585449219	136.0
293.4015197753906	168.0
293.86761474609375	184.0
293.92333984375	156.0
293.9915771484375	140.0
294.7633361816406	172.0
295.4608459472656	168.0
295.5463562011719	188.0
295.6239929199219	164.0
295.79620361328125	172.0
296.0373229980469	132.0
296.1852722167969	152.0
296.7005615234375	160.0
297.05401611328125	352.0
297.1253967285156	124.0
297.2081604003906	148.0
297.62347412109375	196.0
297.8604431152344	188.0
298.1731262207031	156.0
298.49969482421875	176.0
298.6028747558594	184.0
298.7105407714844	132.0
299.0191650390625	172.0
299.052978515625	136.0
299.0755310058594	244.0
299.1534118652344	152.0
299.1809387207031	176.0
299.5976257324219	160.0
299.80438232421875	160.0
299.94873046875	136.0
301.6889343261719	216.0
301.9344177246094	168.0
302.0335693359375	108.0
302.36181640625	236.0
302.5572509765625	164.0
302.85638427734375	144.0
303.063720703125	120.0
303.159912109375	192.0
303.5811767578125	116.0
304.1067199707031	160.0
304.4156799316406	152.0
305.8435363769531	128.0
305.9383239746094	120.0
306.0848083496094	288.0
306.2310485839844	200.0
306.4574890136719	148.0
306.79461669921875	196.0
306.95245361328125	168.0
307.1062316894531	188.0
307.1597595214844	10816.0
307.3054504394531	156.0
307.3915710449219	144.0
307.64068603515625	168.0
307.6904296875	132.0
307.7345275878906	140.0
308.03778076171875	152.0
308.1626892089844	1728.0
308.4466857910156	148.0
308.4956359863281	180.0
308.9869689941406	208.0
309.0553894042969	448.0
309.17218017578125	152.0
309.5159912109375	124.0
309.6192321777344	136.0
309.8710021972656	144.0
309.9168395996094	136.0
310.00762939453125	156.0
310.0609130859375	100.0
310.1595458984375	124.0
310.4978332519531	140.0
310.58221435546875	160.0
310.9118347167969	120.0
311.06292724609375	180.0
311.44415283203125	124.0
311.56085205078125	112.0
311.6919860839844	192.0
312.0399475097656	184.0
312.5112609863281	180.0
312.7822265625	148.0
312.82879638671875	160.0
312.9915466308594	96.0
314.6625061035156	180.0
314.9931335449219	144.0
315.089599609375	156.0
315.5161437988281	160.0
315.7742614746094	176.0
316.1705017089844	180.0
316.45721435546875	140.0
316.51263427734375	184.0
316.6874084472656	188.0
316.8113708496094	176.0
317.0565185546875	208.0
317.36590576171875	188.0
317.4007873535156	132.0
317.56640625	168.0
317.6160583496094	180.0
317.7082824707031	156.0
317.99420166015625	104.0
318.52117919921875	144.0
318.739990234375	144.0
319.3778076171875	168.0
319.41387939453125	144.0
319.44989013671875	140.0
319.8446044921875	192.0
319.8819580078125	136.0
320.1509704589844	224.0
320.18218994140625	280.0
320.43865966796875	144.0
320.69879150390625	296.0
320.7486877441406	248.0
320.8377990722656	148.0
320.9197998046875	156.0
320.9697265625	144.0
320.99468994140625	148.0
321.0838317871094	160.0
321.1416320800781	96.0
321.182373046875	140.0
321.3182373046875	208.0
321.3799133300781	164.0
321.8603515625	184.0
321.9880065917969	124.0
322.11395263671875	168.0
322.20465087890625	148.0
322.2764587402344	160.0
322.3750915527344	288.0
322.4729309082031	100.0
322.5992736816406	116.0
322.68780517578125	148.0
322.8013610839844	100.0
322.8452453613281	144.0
322.9296569824219	204.0
323.00042724609375	212.0
323.04412841796875	136.0
323.16156005859375	320.0
323.21563720703125	256.0
323.2509460449219	208.0
323.28631591796875	124.0
323.3965759277344	144.0
323.4374694824219	196.0
323.5218200683594	192.0
323.5755615234375	116.0
323.6077880859375	288.0
323.64483642578125	132.0
323.7012939453125	380.0
323.80535888671875	264.0
323.8482360839844	220.0
323.8984680175781	224.0
323.92547607421875	228.0
323.9587707519531	204.0
324.0803527832031	264.0
324.106201171875	212.0
324.15185546875	108.0
324.2039794921875	472.0
324.2569580078125	212.0
324.2936096191406	144.0
324.3528137207031	224.0
324.3968200683594	276.0
324.45660400390625	244.0
324.5092468261719	208.0
324.5532531738281	260.0
324.57928466796875	180.0
324.6118469238281	472.0
324.652587890625	204.0
324.6867370605469	552.0
324.7144470214844	360.0
324.75982666015625	180.0
324.8118591308594	296.0
324.8790588378906	536.0
324.94622802734375	560.0
324.9587707519531	740.0
324.9734191894531	488.0
324.9822692871094	936.0
324.99639892578125	320.0
325.0448913574219	456.0
325.074951171875	716.0
325.126220703125	2204.0
325.1744384765625	234748.0
325.27972412109375	148.0
325.3050231933594	276.0
325.42431640625	436.0
325.50775146484375	3540.0
325.5679626464844	856.0
325.6226806640625	1296.0
325.66619873046875	1208.0
325.7206726074219	2556.0
325.7778015136719	14860.0
325.8704528808594	448.0
325.90386962890625	252.0
325.96429443359375	144.0
326.086669921875	26780.0
326.176513671875	160860.0
326.28399658203125	180.0
326.3194885253906	176.0
326.36712646484375	244.0
326.4102478027344	348.0
326.47650146484375	172.0
326.550048828125	100.0
326.5867004394531	264.0
326.6498718261719	360.0
326.72698974609375	180.0
326.7695007324219	380.0
326.8177795410156	128.0
326.84381103515625	164.0
326.8746643066406	144.0
326.9134521484375	220.0
326.9605712890625	156.0
326.9879455566406	280.0
327.09063720703125	3616.0
327.1781311035156	25772.0
327.2813720703125	100.0
327.3658447265625	124.0
327.433349609375	236.0
327.5649719238281	256.0
327.611083984375	304.0
327.71453857421875	164.0
327.754638671875	236.0
327.7642822265625	236.0
327.81549072265625	128.0
327.8693542480469	304.0
327.93560791015625	336.0
327.99505615234375	340.0
328.0823669433594	2640.0
328.13958740234375	548.0
328.1492919921875	228.0
328.1805725097656	1020.0
328.24151611328125	464.0
328.293212890625	472.0
328.3516540527344	404.0
328.38330078125	452.0
328.4342041015625	312.0
328.4836730957031	436.0
328.5323181152344	228.0
328.6012878417969	252.0
328.7140808105469	392.0
328.783935546875	112.0
328.8807678222656	244.0
328.9315490722656	112.0
328.9552307128906	256.0
328.98736572265625	204.0
329.0875549316406	156.0
329.1737976074219	128.0
329.2662658691406	264.0
329.2943420410156	364.0
329.33343505859375	236.0
329.4085388183594	172.0
329.4423828125	140.0
329.4638671875	236.0
329.525146484375	196.0
329.5596618652344	272.0
329.6416320800781	104.0
329.6654968261719	172.0
330.3728942871094	172.0
330.6363220214844	152.0
331.5512390136719	168.0
332.00628662109375	104.0
332.08319091796875	104.0
332.66534423828125	96.0
332.73052978515625	132.0
336.6310729980469	104.0
337.8180847167969	140.0
337.8580322265625	104.0
337.9547119140625	140.0
338.1675109863281	160.0
338.2731018066406	168.0
338.5025329589844	136.0
339.9886474609375	120.0
340.4486999511719	116.0
341.02667236328125	132.0
342.0591125488281	176.0
342.48785400390625	136.0
342.7583923339844	108.0
342.97052001953125	108.0
343.4228515625	128.0
343.4821472167969	124.0
344.3326110839844	160.0
345.5236511230469	152.0
345.8988952636719	96.0
348.0339660644531	108.0
348.1663818359375	108.0
353.3768310546875	164.0
356.66796875	100.0
359.86981201171875	104.0
364.3329772949219	140.0
365.5078125	148.0
377.7568664550781	140.0
402.9975280761719	96.0
403.0491638183594	148.0
466.4206848144531	156.0
478.76678466796875	132.0
483.6915588378906	100.0
504.485107421875	168.0
525.3767700195312	188.0
543.1798706054688	144.0
546.3373413085938	124.0
642.6784057617188	100.0
662.9017333984375	108.0
665.6311645507812	136.0
673.4860229492188	144.0
681.2952270507812	100.0
740.4473266601562	152.0
803.3278198242188	164.0
900.0330200195312	140.0
943.1094970703125	148.0
976.7772827148438	140.0
1125.13720703125	144.0
1193.62353515625	180.0
1206.177978515625	232.0
1216.0133056640625	140.0
1237.952880859375	144.0
1248.95751953125	168.0
1284.680908203125	196.0
1305.32958984375	160.0
1328.97119140625	192.0
1334.5638427734375	176.0
1335.611083984375	160.0
1357.3819580078125	228.0
1368.47705078125	148.0
1380.6597900390625	220.0
1384.330322265625	192.0
1389.7265625	140.0
1392.9188232421875	152.0
1396.30810546875	144.0
1403.5687255859375	196.0
1404.90380859375	160.0
1406.956787109375	196.0
1409.9063720703125	156.0
1422.6546630859375	212.0
1429.9156494140625	192.0
1431.8656005859375	168.0
1435.5657958984375	224.0
1437.6781005859375	236.0
1440.448974609375	200.0
1442.292724609375	140.0
1446.505859375	144.0
1449.4822998046875	144.0
1450.0657958984375	188.0
1451.6275634765625	156.0
1453.15966796875	184.0
1467.9769287109375	188.0
1482.7618408203125	140.0
1483.520751953125	152.0
1484.1417236328125	220.0
1496.057861328125	144.0
1499.28515625	284.0
1504.9393310546875	140.0
1508.6632080078125	184.0
1510.2484130859375	180.0
1511.099365234375	192.0
1519.1175537109375	160.0
1519.6993408203125	184.0
1521.4068603515625	332.0
1529.748046875	152.0
1532.5517578125	184.0
1533.7830810546875	156.0
1535.3267822265625	152.0
1535.4671630859375	208.0
1542.236328125	180.0
1543.6044921875	156.0
1545.786865234375	172.0
1546.2642822265625	180.0
1549.678466796875	148.0
1551.1517333984375	172.0
1554.1475830078125	152.0
1556.180419921875	148.0
1557.774658203125	176.0
1561.3509521484375	216.0
1564.2899169921875	144.0
1565.868408203125	196.0
1572.26220703125	156.0
1573.9830322265625	180.0
1575.9261474609375	164.0
1576.7479248046875	156.0
1578.3131103515625	152.0
1580.36962890625	256.0
1583.7974853515625	164.0
1583.9083251953125	144.0
1587.4351806640625	188.0
1599.0338134765625	164.0
1599.1771240234375	160.0
1614.30322265625	228.0
1619.43310546875	184.0
1619.7054443359375	192.0
1620.251220703125	148.0
1625.6944580078125	172.0
1630.33642578125	120.0
1633.1741943359375	144.0
1641.09033203125	176.0
1644.002197265625	176.0
1649.5347900390625	148.0
1650.771728515625	152.0
1651.7989501953125	212.0
1651.9364013671875	180.0
1655.2061767578125	172.0
1656.331787109375	140.0
1656.52734375	132.0
1656.720703125	140.0
1662.1690673828125	164.0
1669.1466064453125	144.0
1672.9373779296875	120.0
1674.9573974609375	164.0
1675.2913818359375	148.0
1676.472900390625	148.0
1679.5057373046875	244.0
1680.035888671875	148.0
1682.9267578125	252.0
1683.9376220703125	148.0
1684.288818359375	204.0
1686.470458984375	148.0
1686.79736328125	172.0
1687.0589599609375	216.0
1689.5450439453125	156.0
1692.9500732421875	144.0
1695.9486083984375	160.0
1704.6151123046875	172.0
1710.1744384765625	148.0
1711.037841796875	160.0
1712.46337890625	156.0
1713.9544677734375	140.0
1717.5076904296875	152.0
1718.5552978515625	148.0
1719.4365234375	144.0
1724.8565673828125	176.0
1726.3739013671875	192.0
1728.0113525390625	196.0
1734.4168701171875	176.0
1739.6748046875	140.0
1743.2889404296875	168.0
1744.4442138671875	196.0
1746.0406494140625	196.0
1747.970703125	140.0
1749.29638671875	192.0
1752.100341796875	140.0
1757.8701171875	176.0
1758.7799072265625	140.0
1762.3206787109375	156.0
1768.0577392578125	144.0
1772.72998046875	216.0
1774.74169921875	144.0
1777.4593505859375	188.0
1785.473388671875	196.0
1792.19091796875	160.0
1793.78369140625	148.0
1794.1546630859375	152.0
1795.88330078125	248.0
1801.707763671875	144.0
1802.1470947265625	212.0
1802.7047119140625	140.0
1813.37646484375	176.0
1813.5968017578125	188.0
1816.656005859375	156.0
1817.2432861328125	148.0
1820.0443115234375	188.0
1820.3583984375	156.0
1822.244140625	164.0
1823.3062744140625	228.0
1823.3997802734375	224.0
1823.646240234375	184.0
1825.5845947265625	228.0
1830.7330322265625	152.0
1831.065185546875	140.0
1834.3115234375	156.0
1840.9794921875	132.0
1844.999267578125	184.0
1849.8070068359375	216.0
1851.4765625	192.0
1853.14697265625	160.0
1854.70654296875	160.0
1856.225341796875	164.0
1859.211181640625	152.0
1865.41064453125	192.0
1867.38818359375	140.0
1872.1043701171875	152.0
1873.3963623046875	228.0
1876.5506591796875	156.0
1879.4141845703125	212.0
1880.259765625	192.0
1883.0570068359375	156.0
1887.689208984375	148.0
1889.0469970703125	168.0
1890.6563720703125	172.0
1895.67041015625	260.0
1895.8524169921875	176.0
1897.005126953125	160.0
1898.5919189453125	196.0
1899.4976806640625	164.0
1903.1041259765625	172.0
1903.616455078125	144.0
1906.1268310546875	164.0
1906.700439453125	148.0
1908.6302490234375	168.0
1910.256591796875	152.0
1915.183349609375	156.0
1916.19384765625	144.0
1919.9420166015625	184.0
1922.4107666015625	156.0
1925.16064453125	152.0
1927.4666748046875	184.0
1933.929443359375	200.0
1936.1182861328125	148.0
1937.3182373046875	140.0
1940.1488037109375	140.0
1941.902587890625	140.0
1947.6614990234375	148.0
1951.8436279296875	204.0
1955.718994140625	148.0
1957.0701904296875	156.0
1962.7886962890625	172.0
1965.3289794921875	140.0
1965.8848876953125	156.0
1966.8822021484375	164.0
1969.6282958984375	200.0
1970.79443359375	208.0
1972.7740478515625	172.0
1975.5509033203125	172.0
1975.6304931640625	260.0
1976.34716796875	180.0
1978.435791015625	156.0
1979.2503662109375	148.0
1981.5355224609375	200.0
1981.641845703125	148.0
1983.086181640625	148.0
1984.8681640625	152.0
1985.178466796875	152.0
1987.80419921875	172.0
1988.021728515625	244.0
1989.9522705078125	176.0
1992.6563720703125	160.0
1993.143310546875	204.0
1993.863525390625	176.0
1994.8673095703125	160.0
1996.092041015625	164.0
1997.14892578125	128.0
1998.0567626953125	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078914
PEPMASS=506.236786
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=35.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=BENIDIPINE HCl [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CO/C(=C\1/[C@H](C(=C(C)N=C1C)C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)c4cccc(c4)[N+](=O)[O-])/O
INCHI=InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,32H,8,13-14,16-17H2,1-3H3/b27-24+/t23-,26-/m1/s1
INCHIAUX=IEQUDZMRAGKBCG-BGTQWXJCSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078914
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078914
SCANS=1263
44.94071960449219	168.0
44.97697448730469	156.0
45.081146240234375	208.0
45.1613655090332	160.0
45.80027770996094	236.0
46.00119400024414	236.0
46.42308044433594	176.0
46.61881637573242	196.0
46.64192199707031	188.0
46.677268981933594	164.0
46.72895431518555	160.0
46.87651443481445	152.0
47.13801193237305	188.0
47.17901611328125	160.0
47.313087463378906	184.0
47.4898567199707	256.0
47.83061599731445	148.0
48.082847595214844	192.0
48.29700469970703	192.0
48.522727966308594	172.0
48.78928756713867	156.0
49.12630081176758	140.0
49.17294692993164	148.0
49.365135192871094	148.0
49.5302848815918	188.0
49.59193801879883	176.0
49.75746536254883	148.0
49.8234748840332	164.0
50.192230224609375	148.0
50.262760162353516	156.0
51.031883239746094	176.0
51.08308029174805	188.0
51.57770919799805	132.0
51.607913970947266	192.0
51.72808837890625	144.0
52.05485916137695	144.0
52.09663009643555	172.0
52.267723083496094	172.0
52.44918441772461	208.0
52.845848083496094	188.0
52.993682861328125	160.0
53.015743255615234	192.0
53.06212615966797	144.0
53.33940505981445	188.0
53.72854995727539	180.0
54.238285064697266	120.0
54.26203536987305	176.0
54.304561614990234	140.0
54.564212799072266	200.0
54.82353973388672	108.0
54.845645904541016	144.0
55.34606170654297	140.0
55.987972259521484	144.0
56.160858154296875	144.0
56.241432189941406	168.0
56.4610595703125	140.0
56.77750778198242	224.0
56.81305694580078	188.0
56.87758255004883	172.0
57.182701110839844	188.0
57.3966178894043	184.0
57.476566314697266	204.0
57.58979034423828	156.0
57.86349868774414	160.0
58.05320358276367	180.0
58.08171844482422	144.0
58.260841369628906	164.0
58.62296676635742	176.0
58.662593841552734	148.0
58.91439437866211	152.0
58.967872619628906	164.0
59.01373291015625	236.0
59.427276611328125	180.0
59.531654357910156	160.0
59.80531692504883	160.0
60.67656326293945	140.0
60.69207000732422	144.0
60.72388458251953	132.0
60.77427673339844	176.0
60.870513916015625	148.0
60.886043548583984	168.0
60.93730545043945	140.0
61.37778854370117	200.0
61.499473571777344	152.0
61.586910247802734	164.0
61.70880126953125	172.0
62.09244918823242	192.0
62.14722442626953	156.0
62.3083610534668	180.0
62.587459564208984	180.0
62.738712310791016	152.0
62.75920486450195	200.0
62.98330307006836	192.0
62.99435806274414	180.0
63.55885314941406	124.0
63.67545700073242	160.0
63.72058868408203	108.0
63.84800720214844	168.0
64.07949829101562	144.0
64.20542907714844	152.0
64.51199340820312	160.0
64.91546630859375	264.0
65.14381408691406	148.0
65.17872619628906	200.0
65.7713851928711	148.0
65.92481231689453	152.0
66.13506317138672	140.0
66.15636444091797	176.0
66.20306396484375	160.0
66.28004455566406	176.0
66.59066772460938	168.0
66.62640380859375	156.0
67.1309814453125	140.0
67.21580505371094	164.0
67.37965393066406	204.0
67.56381225585938	236.0
67.6898422241211	208.0
67.97835540771484	188.0
68.39250946044922	204.0
68.77326202392578	232.0
69.15341186523438	176.0
69.27262878417969	152.0
69.59080505371094	192.0
69.67658233642578	104.0
70.07671356201172	152.0
70.35624694824219	184.0
70.6175765991211	140.0
70.63764190673828	144.0
70.79450225830078	192.0
70.99774932861328	140.0
71.03297424316406	148.0
71.30329895019531	160.0
71.414306640625	148.0
71.43781280517578	172.0
71.70216369628906	152.0
72.10552215576172	180.0
72.60665130615234	220.0
72.90204620361328	292.0
73.09249877929688	236.0
73.25764465332031	164.0
73.31217193603516	200.0
73.3689956665039	188.0
73.6054458618164	108.0
73.79694366455078	184.0
73.96288299560547	144.0
74.04069519042969	144.0
74.14100646972656	144.0
74.23186492919922	156.0
74.51497650146484	132.0
74.62931823730469	132.0
74.98712921142578	212.0
75.79474639892578	164.0
75.93576049804688	144.0
76.10061645507812	164.0
76.1388168334961	144.0
76.21003723144531	152.0
76.23957824707031	156.0
76.31954193115234	148.0
76.59625244140625	184.0
76.62238311767578	160.0
76.63980102539062	172.0
76.6833724975586	168.0
76.81212615966797	128.0
76.83682250976562	164.0
77.24910736083984	176.0
77.45954132080078	168.0
77.56605529785156	168.0
78.07170867919922	180.0
78.19309997558594	204.0
78.45731353759766	152.0
78.85094451904297	172.0
78.90518188476562	152.0
79.31111907958984	188.0
80.18915557861328	152.0
80.2408447265625	180.0
80.30860900878906	164.0
80.48885345458984	164.0
80.74976348876953	284.0
80.95199584960938	152.0
80.9896011352539	156.0
81.50447845458984	204.0
81.51705932617188	196.0
81.72574615478516	136.0
81.97232818603516	248.0
81.99169921875	128.0
82.18510437011719	144.0
82.29881286621094	180.0
82.35659790039062	216.0
82.48959350585938	100.0
82.54998016357422	144.0
82.63442993164062	232.0
82.9410400390625	168.0
83.1078872680664	164.0
83.2712631225586	156.0
83.97561645507812	188.0
84.11428833007812	168.0
84.53187561035156	164.0
84.70858764648438	160.0
84.76904296875	168.0
84.81303405761719	160.0
85.20941162109375	160.0
85.23329162597656	148.0
85.86656188964844	152.0
85.92005157470703	168.0
86.11572265625	172.0
86.12865447998047	160.0
86.53290557861328	152.0
86.63550567626953	192.0
86.76771545410156	124.0
86.8282699584961	180.0
86.92935943603516	108.0
86.99897766113281	176.0
87.25349426269531	152.0
87.31299591064453	184.0
87.5270004272461	164.0
87.5996322631836	156.0
87.61454010009766	184.0
87.83637237548828	192.0
87.85938262939453	144.0
88.02674102783203	140.0
88.40247344970703	156.0
88.56723022460938	156.0
88.68339538574219	168.0
88.70214080810547	216.0
88.73776245117188	180.0
88.80339813232422	196.0
89.03799438476562	180.0
89.66071319580078	176.0
89.75308227539062	168.0
90.1852035522461	156.0
90.4351577758789	160.0
90.91613006591797	140.0
91.02604675292969	224.0
91.05472564697266	21672.0
91.09529113769531	188.0
91.18993377685547	144.0
91.31605529785156	128.0
91.33289337158203	120.0
91.7171630859375	152.0
92.0574722290039	2880.0
92.142333984375	120.0
92.48387908935547	128.0
92.59638977050781	164.0
92.6401138305664	144.0
92.6956787109375	228.0
93.00444793701172	188.0
93.32910919189453	172.0
94.2678451538086	168.0
94.73153686523438	164.0
95.07150268554688	180.0
95.21904754638672	156.0
95.28649139404297	184.0
95.35893249511719	224.0
95.38288879394531	248.0
95.43475341796875	172.0
95.48725128173828	144.0
95.65458679199219	168.0
95.94874572753906	176.0
95.97798919677734	176.0
96.0802001953125	236.0
96.18429565429688	208.0
96.69883728027344	156.0
96.73211669921875	148.0
97.33696746826172	220.0
97.57763671875	180.0
97.69170379638672	140.0
98.30050659179688	168.0
98.3715591430664	140.0
98.82493591308594	236.0
98.97456359863281	196.0
99.0240707397461	168.0
99.09808349609375	132.0
99.18257904052734	184.0
99.32335662841797	164.0
99.3868408203125	156.0
99.42851257324219	184.0
99.54638671875	160.0
99.72990417480469	128.0
100.07606506347656	484.0
100.23390197753906	176.0
100.30365753173828	144.0
100.32159423828125	164.0
100.36346435546875	148.0
100.42329406738281	148.0
100.58291625976562	156.0
100.62440490722656	184.0
100.66353607177734	116.0
100.76264190673828	148.0
101.07951354980469	144.0
101.1382827758789	208.0
101.45108032226562	140.0
101.4931869506836	172.0
101.87651824951172	192.0
101.8913345336914	140.0
101.94684600830078	168.0
102.00513458251953	140.0
102.02523040771484	156.0
102.19819641113281	168.0
102.47173309326172	120.0
102.82086944580078	200.0
103.44340515136719	160.0
103.63782501220703	140.0
104.03533935546875	164.0
104.05496215820312	204.0
105.07147216796875	148.0
105.15470886230469	160.0
105.3324966430664	152.0
105.46531677246094	140.0
105.6781997680664	180.0
105.78850555419922	140.0
106.02610778808594	144.0
106.07061004638672	140.0
106.14910125732422	160.0
106.27832794189453	196.0
106.3531723022461	204.0
106.39942169189453	172.0
106.61509704589844	144.0
106.63975524902344	332.0
106.69731140136719	196.0
107.1109390258789	160.0
107.1954116821289	140.0
107.21189880371094	140.0
107.41646575927734	128.0
107.53775024414062	216.0
107.70706176757812	180.0
107.955078125	200.0
108.18267059326172	144.0
108.32762908935547	192.0
108.51785278320312	152.0
109.12589263916016	200.0
109.43038940429688	168.0
109.50260925292969	200.0
109.78670501708984	260.0
109.80130767822266	172.0
109.82215881347656	160.0
110.3003158569336	256.0
110.8235092163086	160.0
111.07298278808594	176.0
111.09185791015625	168.0
111.20516967773438	240.0
111.44876861572266	172.0
111.47188568115234	188.0
111.91571044921875	168.0
111.95571899414062	152.0
112.04207611083984	144.0
112.05682373046875	152.0
112.23119354248047	104.0
112.40953063964844	160.0
112.46592712402344	148.0
113.39656066894531	224.0
113.97377014160156	180.0
114.33528137207031	140.0
114.50772857666016	140.0
114.59080505371094	140.0
115.05833435058594	164.0
115.33343505859375	176.0
115.40397644042969	192.0
115.48096466064453	172.0
116.06130981445312	196.0
116.07846069335938	168.0
116.78878784179688	112.0
116.95500183105469	164.0
116.98944091796875	148.0
117.08529663085938	224.0
117.37725830078125	184.0
117.40528869628906	192.0
117.60377502441406	160.0
117.63831329345703	192.0
117.71388244628906	144.0
117.93994140625	132.0
118.06828308105469	204.0
118.14237976074219	188.0
118.34221649169922	156.0
118.47087860107422	196.0
118.63557434082031	160.0
118.67893981933594	196.0
118.8363037109375	224.0
118.96097564697266	168.0
119.13470458984375	144.0
119.22161102294922	176.0
119.6715316772461	124.0
119.74156951904297	144.0
120.08071899414062	516.0
120.2223892211914	152.0
120.30194091796875	160.0
120.41548919677734	152.0
120.51471710205078	140.0
120.7192611694336	156.0
120.84402465820312	96.0
121.08259582519531	156.0
121.54946899414062	188.0
121.58019256591797	168.0
122.4573974609375	156.0
122.76303100585938	144.0
123.00670623779297	160.0
123.3797607421875	148.0
123.83927154541016	164.0
124.7697982788086	184.0
124.96328735351562	144.0
124.99665832519531	168.0
125.43986511230469	164.0
125.52235412597656	184.0
126.05362701416016	148.0
126.25851440429688	196.0
126.46959686279297	148.0
126.91764831542969	184.0
126.96473693847656	164.0
127.04376220703125	156.0
127.41365814208984	152.0
127.64588928222656	136.0
127.73106384277344	184.0
128.02096557617188	160.0
128.06381225585938	152.0
128.3634796142578	152.0
128.4886932373047	156.0
128.65228271484375	160.0
128.70872497558594	140.0
128.73582458496094	152.0
128.79454040527344	208.0
128.8216552734375	160.0
128.87586975097656	140.0
128.9147186279297	200.0
129.01373291015625	140.0
129.06871032714844	568.0
129.19691467285156	152.0
129.59085083007812	148.0
130.0765838623047	368.0
130.2684326171875	124.0
130.29190063476562	176.0
130.44642639160156	144.0
130.51690673828125	168.0
130.87515258789062	152.0
131.0857391357422	1264.0
131.1543426513672	208.0
131.92359924316406	204.0
132.0470733642578	212.0
132.10044860839844	192.0
132.45907592773438	192.0
132.5850830078125	192.0
132.77537536621094	196.0
133.22525024414062	184.0
133.35816955566406	156.0
133.42979431152344	160.0
133.51255798339844	152.0
133.8094024658203	208.0
134.3417510986328	160.0
134.49404907226562	196.0
134.54483032226562	148.0
135.1735076904297	148.0
135.27865600585938	152.0
135.3170166015625	140.0
135.72422790527344	128.0
135.94203186035156	148.0
135.97068786621094	160.0
136.0774688720703	164.0
136.4123992919922	120.0
136.46392822265625	108.0
136.6265106201172	148.0
137.01939392089844	144.0
137.13441467285156	228.0
137.51608276367188	176.0
137.53707885742188	140.0
137.68417358398438	148.0
137.82704162597656	128.0
137.86172485351562	164.0
137.9131317138672	152.0
138.01834106445312	200.0
138.33651733398438	140.0
138.43251037597656	172.0
138.78282165527344	144.0
139.6434783935547	224.0
139.779052734375	152.0
139.8434600830078	152.0
139.91172790527344	232.0
139.96588134765625	184.0
140.0706024169922	120.0
140.407470703125	148.0
140.44192504882812	176.0
140.8809814453125	168.0
141.06692504882812	292.0
141.50888061523438	120.0
141.6474151611328	160.0
141.81802368164062	156.0
142.0385284423828	152.0
142.09091186523438	152.0
142.23785400390625	156.0
142.3565673828125	212.0
142.8128662109375	168.0
143.08175659179688	152.0
143.434326171875	200.0
143.61077880859375	144.0
143.76585388183594	140.0
144.0419464111328	188.0
144.08580017089844	180.0
144.17959594726562	220.0
144.33676147460938	192.0
144.35711669921875	204.0
144.77467346191406	168.0
144.81777954101562	184.0
145.06219482421875	148.0
145.1011505126953	576.0
145.43878173828125	144.0
146.09963989257812	232.0
146.1392059326172	164.0
146.18141174316406	116.0
146.2550506591797	108.0
146.4728546142578	152.0
146.73817443847656	136.0
146.7932586669922	144.0
146.8704376220703	192.0
147.3701629638672	172.0
147.57801818847656	200.0
148.0232391357422	144.0
148.0652618408203	136.0
148.08074951171875	192.0
148.18067932128906	192.0
149.24131774902344	144.0
149.4066925048828	180.0
149.4310302734375	148.0
149.69146728515625	196.0
149.76797485351562	116.0
150.2398681640625	184.0
150.58160400390625	152.0
150.7021026611328	244.0
151.06114196777344	104.0
151.14874267578125	172.0
151.2882537841797	160.0
151.4155731201172	204.0
151.43516540527344	152.0
151.52825927734375	176.0
151.6458740234375	184.0
151.6875457763672	188.0
151.734130859375	148.0
152.0800018310547	164.0
152.3784942626953	204.0
152.44839477539062	140.0
152.78524780273438	140.0
153.06472778320312	240.0
153.1544952392578	156.0
153.2505645751953	180.0
153.38929748535156	216.0
153.4538116455078	172.0
153.74127197265625	144.0
154.06407165527344	184.0
154.2025909423828	136.0
154.2550048828125	284.0
154.4330291748047	144.0
154.79930114746094	188.0
154.98011779785156	176.0
155.05787658691406	212.0
155.10020446777344	212.0
155.31082153320312	132.0
155.6409149169922	148.0
155.7640838623047	144.0
155.99020385742188	192.0
156.40560913085938	164.0
157.02955627441406	152.0
157.1048583984375	520.0
157.38536071777344	240.0
157.6276397705078	172.0
157.6985626220703	96.0
157.76510620117188	212.0
158.09725952148438	308.0
158.1409454345703	120.0
158.28802490234375	140.0
158.3896026611328	164.0
158.4959259033203	204.0
159.0624542236328	116.0
159.44699096679688	152.0
159.73362731933594	172.0
160.07591247558594	200.0
160.14764404296875	116.0
160.24017333984375	176.0
160.5421142578125	168.0
160.72085571289062	124.0
160.8157958984375	124.0
161.30206298828125	148.0
161.8459930419922	152.0
161.88397216796875	208.0
161.97515869140625	200.0
163.0671844482422	160.0
163.19200134277344	132.0
163.3942108154297	176.0
163.5952606201172	144.0
163.81170654296875	144.0
163.9620361328125	144.0
164.07164001464844	176.0
164.25015258789062	152.0
164.39813232421875	200.0
164.44894409179688	188.0
164.678955078125	140.0
164.69683837890625	160.0
164.942138671875	160.0
165.029052734375	164.0
165.06356811523438	208.0
165.29762268066406	152.0
165.581787109375	152.0
165.60739135742188	144.0
165.65606689453125	176.0
166.0730438232422	172.0
166.08290100097656	116.0
166.48451232910156	164.0
166.5204620361328	144.0
166.69772338867188	160.0
167.0550079345703	116.0
167.2841339111328	180.0
167.75038146972656	152.0
167.8721923828125	164.0
167.89735412597656	144.0
168.0523681640625	252.0
168.0830841064453	320.0
168.2080535888672	160.0
168.41156005859375	136.0
168.71328735351562	184.0
168.80377197265625	180.0
168.93826293945312	172.0
169.0848388671875	124.0
169.22035217285156	176.0
169.2967071533203	124.0
169.51564025878906	296.0
169.5415496826172	148.0
169.5596923828125	148.0
169.75411987304688	144.0
169.7801971435547	156.0
169.84776306152344	188.0
170.0677490234375	196.0
170.0944366455078	152.0
170.1173553466797	176.0
170.4556427001953	128.0
170.78648376464844	200.0
170.98289489746094	240.0
171.0679168701172	180.0
171.10464477539062	440.0
171.2720489501953	136.0
171.29534912109375	148.0
171.3787078857422	172.0
171.40997314453125	168.0
171.74012756347656	184.0
172.04747009277344	200.0
172.08018493652344	160.0
172.11590576171875	272.0
172.1899871826172	144.0
173.05029296875	156.0
173.08128356933594	176.0
173.11907958984375	252.0
173.156494140625	108.0
173.2598114013672	172.0
173.3473358154297	136.0
173.38990783691406	148.0
173.43682861328125	116.0
173.4980926513672	200.0
173.52452087402344	232.0
173.55738830566406	156.0
173.61865234375	148.0
173.64401245117188	232.0
173.69900512695312	264.0
173.7914276123047	196.0
173.8197784423828	196.0
173.85171508789062	156.0
173.9281005859375	180.0
173.97779846191406	104.0
174.01734924316406	164.0
174.05276489257812	460.0
174.10134887695312	352.0
174.12908935546875	288476.0
174.2127227783203	276.0
174.25192260742188	96.0
174.2934112548828	120.0
174.30874633789062	168.0
174.35818481445312	168.0
174.40272521972656	264.0
174.44287109375	128.0
174.49024963378906	172.0
174.51113891601562	172.0
174.53207397460938	252.0
174.559814453125	1460.0
174.59559631347656	152.0
174.64779663085938	220.0
174.6675567626953	176.0
174.827880859375	188.0
174.8606719970703	100.0
174.89407348632812	96.0
174.91397094726562	192.0
174.94798278808594	280.0
175.0004119873047	172.0
175.08230590820312	232.0
175.13156127929688	37068.0
175.1960906982422	188.0
175.37451171875	104.0
175.4025421142578	124.0
175.49024963378906	124.0
175.52862548828125	120.0
175.56289672851562	192.0
175.6473388671875	264.0
175.7540283203125	156.0
175.8877410888672	120.0
175.92147827148438	252.0
176.03231811523438	336.0
176.13377380371094	2156.0
176.18853759765625	216.0
176.21888732910156	168.0
176.24612426757812	236.0
176.29745483398438	168.0
176.3455352783203	116.0
176.37245178222656	224.0
176.43394470214844	120.0
176.46743774414062	196.0
176.49171447753906	96.0
176.5006866455078	116.0
176.52313232421875	300.0
176.62742614746094	248.0
176.72268676757812	116.0
176.8172149658203	164.0
177.05120849609375	188.0
177.14572143554688	248.0
177.1985321044922	172.0
177.5645751953125	112.0
177.59666442871094	124.0
177.66213989257812	96.0
177.9368438720703	272.0
178.51771545410156	152.0
178.9691619873047	176.0
179.083251953125	308.0
179.47633361816406	180.0
179.66302490234375	140.0
180.08148193359375	496.0
180.62754821777344	128.0
180.68966674804688	112.0
181.00625610351562	136.0
181.08944702148438	832.0
181.2416229248047	200.0
181.6855010986328	168.0
181.84661865234375	100.0
182.09474182128906	428.0
182.52818298339844	128.0
182.93511962890625	144.0
182.9808807373047	216.0
183.1034393310547	352.0
183.2232666015625	156.0
183.2974090576172	100.0
183.5347137451172	144.0
183.77865600585938	168.0
183.901123046875	116.0
184.0732879638672	272.0
184.110595703125	132.0
184.640380859375	140.0
184.7821807861328	104.0
184.8649139404297	140.0
185.08091735839844	100.0
185.33607482910156	148.0
186.10569763183594	160.0
186.31414794921875	112.0
186.51255798339844	140.0
186.82359313964844	116.0
187.0904998779297	152.0
187.16680908203125	192.0
187.22943115234375	140.0
187.70359802246094	156.0
187.752685546875	236.0
188.0418701171875	152.0
188.11557006835938	220.0
188.16880798339844	148.0
188.22286987304688	132.0
188.83145141601562	220.0
189.07106018066406	160.0
189.24192810058594	196.0
189.3021697998047	204.0
189.77345275878906	140.0
190.04180908203125	124.0
190.08615112304688	144.0
190.13279724121094	156.0
190.2425994873047	144.0
190.36398315429688	132.0
190.4471893310547	100.0
190.49415588378906	164.0
191.0780487060547	188.0
191.2183837890625	208.0
191.30091857910156	140.0
191.34906005859375	156.0
191.37655639648438	192.0
191.46534729003906	96.0
191.51022338867188	288.0
191.63694763183594	152.0
191.66455078125	140.0
191.7609405517578	160.0
191.81097412109375	132.0
191.88775634765625	140.0
191.99058532714844	108.0
192.0352020263672	144.0
192.06700134277344	328.0
192.09681701660156	152.0
192.13934326171875	97676.0
192.20816040039062	120.0
192.30479431152344	140.0
192.34088134765625	176.0
192.43948364257812	100.0
192.4918212890625	132.0
192.56105041503906	132.0
192.59339904785156	148.0
192.6453857421875	236.0
192.66796875	144.0
192.927978515625	136.0
192.9709930419922	148.0
193.08372497558594	284.0
193.1068572998047	124.0
193.14219665527344	9924.0
193.3039093017578	112.0
193.37161254882812	132.0
193.5794677734375	108.0
193.699462890625	144.0
194.0553436279297	228.0
194.0747528076172	264.0
194.11160278320312	116.0
194.14407348632812	700.0
194.2924346923828	180.0
194.34051513671875	176.0
194.37698364257812	112.0
194.40261840820312	176.0
194.5958709716797	136.0
194.62051391601562	120.0
195.02041625976562	208.0
195.0885772705078	308.0
195.11724853515625	148.0
195.27162170410156	140.0
195.91004943847656	140.0
196.07559204101562	700.0
196.1111297607422	128.0
196.43869018554688	208.0
196.5223846435547	144.0
197.08135986328125	272.0
197.1190948486328	284.0
197.20655822753906	156.0
198.0611114501953	144.0
198.09078979492188	528.0
198.52236938476562	164.0
198.73556518554688	164.0
198.83938598632812	212.0
199.0689239501953	168.0
199.0953826904297	176.0
199.7784881591797	108.0
199.97483825683594	156.0
200.03785705566406	416.0
200.06619262695312	264.0
200.56666564941406	160.0
200.6057891845703	184.0
200.6593475341797	140.0
200.79751586914062	156.0
200.88214111328125	172.0
201.06536865234375	352.0
201.1568603515625	168.0
201.25704956054688	180.0
201.49803161621094	120.0
201.6671142578125	140.0
201.7688751220703	184.0
202.08216857910156	232.0
202.19773864746094	136.0
203.09947204589844	140.0
203.31826782226562	124.0
203.39773559570312	176.0
203.5425262451172	152.0
203.83509826660156	188.0
204.66590881347656	144.0
205.02459716796875	176.0
205.07589721679688	200.0
205.1215057373047	220.0
205.2041778564453	152.0
205.2469482421875	144.0
205.3330841064453	136.0
205.92042541503906	144.0
205.95469665527344	156.0
206.15182495117188	176.0
206.17578125	144.0
206.56478881835938	128.0
206.59214782714844	148.0
206.68655395507812	144.0
207.0674591064453	452.0
207.43136596679688	120.0
207.61392211914062	196.0
208.07798767089844	720.0
208.31463623046875	96.0
208.61451721191406	104.0
208.63685607910156	172.0
208.9158172607422	220.0
209.04689025878906	212.0
209.08486938476562	2344.0
209.16168212890625	144.0
209.3175506591797	156.0
209.57432556152344	192.0
209.62042236328125	148.0
209.6673126220703	152.0
209.88063049316406	148.0
209.9844512939453	184.0
210.09121704101562	5996.0
210.1373291015625	148.0
210.44589233398438	132.0
210.70216369628906	112.0
211.02215576171875	136.0
211.06158447265625	168.0
211.0999755859375	2064.0
211.33926391601562	180.0
212.06881713867188	308.0
212.1037139892578	476.0
212.16758728027344	144.0
212.22557067871094	144.0
213.0196533203125	124.0
213.04400634765625	152.0
213.0721435546875	320.0
213.0991973876953	184.0
213.49615478515625	104.0
213.57058715820312	256.0
213.78543090820312	160.0
213.8069610595703	140.0
213.85235595703125	164.0
214.05276489257812	276.0
214.08880615234375	564.0
214.86642456054688	144.0
215.0623016357422	192.0
215.09765625	188.0
215.1320037841797	176.0
215.68992614746094	332.0
215.73377990722656	164.0
216.09652709960938	228.0
216.2251739501953	156.0
216.2515106201172	144.0
216.67611694335938	188.0
216.90762329101562	164.0
217.03810119628906	252.0
217.0618896484375	1276.0
217.32992553710938	148.0
217.48004150390625	132.0
217.63812255859375	204.0
218.0642852783203	284.0
218.48080444335938	160.0
219.0556640625	232.0
219.12046813964844	152.0
219.9845428466797	140.0
220.03421020507812	180.0
220.10855102539062	148.0
221.07081604003906	560.0
221.43743896484375	184.0
221.7089080810547	164.0
222.08203125	96.0
222.2693634033203	152.0
222.3554229736328	168.0
222.52760314941406	264.0
222.5543212890625	164.0
222.60479736328125	140.0
222.82460021972656	164.0
222.85726928710938	212.0
222.90696716308594	160.0
222.96469116210938	144.0
223.23910522460938	140.0
223.26748657226562	156.0
223.83885192871094	176.0
224.02052307128906	140.0
224.06907653808594	304.0
224.34832763671875	160.0
224.70619201660156	200.0
225.08078002929688	636.0
225.10755920410156	360.0
225.37530517578125	192.0
225.94215393066406	240.0
226.0870819091797	14620.0
226.23915100097656	128.0
226.3531036376953	188.0
226.472900390625	188.0
226.73655700683594	156.0
226.97337341308594	168.0
227.08616638183594	2828.0
227.33090209960938	168.0
227.38734436035156	136.0
227.72361755371094	264.0
228.09158325195312	436.0
228.26455688476562	148.0
228.4630584716797	144.0
228.7950439453125	104.0
229.11154174804688	996.0
229.28506469726562	216.0
229.39561462402344	112.0
229.6227264404297	220.0
230.041015625	184.0
230.07998657226562	112.0
230.11599731445312	164.0
230.5828094482422	244.0
230.82667541503906	228.0
230.9244384765625	140.0
231.0543670654297	164.0
231.0897216796875	544.0
231.22093200683594	180.0
231.4318084716797	132.0
231.59408569335938	176.0
231.7751007080078	188.0
232.0634765625	100.0
232.09857177734375	444.0
232.23863220214844	204.0
232.37240600585938	196.0
232.62733459472656	156.0
232.95529174804688	196.0
233.11328125	140.0
233.27261352539062	104.0
233.97579956054688	108.0
234.07920837402344	164.0
234.6643524169922	172.0
235.06362915039062	448.0
235.2819061279297	172.0
235.50189208984375	100.0
235.75111389160156	104.0
236.06922912597656	1768.0
236.1925506591797	160.0
236.51995849609375	144.0
236.5811767578125	192.0
236.6699676513672	176.0
236.75180053710938	160.0
236.88406372070312	196.0
236.93153381347656	128.0
237.02569580078125	144.0
237.07290649414062	1000.0
237.40231323242188	148.0
237.47128295898438	152.0
237.506591796875	204.0
237.5636444091797	96.0
237.7709197998047	160.0
237.81956481933594	196.0
238.07408142089844	1476.0
238.16343688964844	148.0
238.78121948242188	168.0
239.0303955078125	152.0
239.08331298828125	1616.0
239.81570434570312	164.0
239.99415588378906	208.0
240.09988403320312	1044.0
240.216552734375	164.0
240.39117431640625	96.0
240.82154846191406	152.0
241.06765747070312	740.0
241.1073455810547	732.0
241.4551239013672	184.0
241.50460815429688	176.0
241.60049438476562	148.0
241.91615295410156	136.0
242.04266357421875	296.0
242.07960510253906	1728.0
242.1094207763672	292.0
242.31875610351562	140.0
242.9170684814453	156.0
243.01324462890625	128.0
243.05661010742188	180.0
243.08853149414062	1848.0
243.8560791015625	144.0
244.05233764648438	248.0
244.1936798095703	156.0
244.3212127685547	144.0
245.05943298339844	224.0
245.41969299316406	228.0
245.63720703125	124.0
245.8042755126953	156.0
246.23196411132812	144.0
246.67564392089844	188.0
246.77774047851562	140.0
247.08218383789062	172.0
247.3450469970703	188.0
247.38259887695312	184.0
247.44485473632812	172.0
248.05296325683594	152.0
248.08883666992188	172.0
248.3528594970703	212.0
248.38882446289062	220.0
249.08753967285156	1172.0
249.3806915283203	108.0
249.70767211914062	144.0
250.0858917236328	244.0
250.22906494140625	144.0
250.3748779296875	176.0
250.4327392578125	140.0
250.4914093017578	196.0
251.05079650878906	120.0
251.08248901367188	196.0
251.1633758544922	136.0
251.45309448242188	164.0
251.94252014160156	156.0
252.01414489746094	256.0
252.0642547607422	120.0
252.0963592529297	244.0
252.5449981689453	160.0
253.07098388671875	632.0
253.44850158691406	144.0
253.51821899414062	148.0
253.64256286621094	136.0
253.72601318359375	100.0
254.0128173828125	140.0
254.0400390625	144.0
254.08206176757812	9296.0
254.22003173828125	128.0
254.39761352539062	152.0
254.46226501464844	104.0
254.6825714111328	144.0
254.8731689453125	204.0
255.00306701660156	156.0
255.08026123046875	4116.0
255.4508056640625	140.0
255.74136352539062	216.0
256.092041015625	1664.0
256.3379211425781	172.0
256.4214782714844	168.0
256.4573669433594	112.0
256.7353820800781	156.0
257.0987243652344	1900.0
257.1792907714844	112.0
257.2267150878906	160.0
257.33294677734375	176.0
257.45245361328125	160.0
257.4853515625	176.0
257.7664489746094	148.0
258.0602722167969	156.0
258.0867614746094	228.0
258.0976867675781	476.0
258.285888671875	144.0
258.3931579589844	216.0
259.0673828125	144.0
259.1894836425781	112.0
259.572509765625	148.0
259.6263427734375	148.0
260.024169921875	188.0
260.1011962890625	152.0
260.6214599609375	172.0
260.8174743652344	184.0
261.2695007324219	132.0
261.3609924316406	168.0
261.5218811035156	148.0
261.563720703125	136.0
261.6216735839844	148.0
262.7334899902344	184.0
262.98516845703125	176.0
263.0713195800781	168.0
263.3120422363281	128.0
263.62139892578125	152.0
263.8922424316406	152.0
264.31341552734375	200.0
264.35870361328125	164.0
264.5496520996094	160.0
264.6144104003906	156.0
264.7730712890625	204.0
264.7989807128906	192.0
264.8634948730469	192.0
264.9363098144531	124.0
265.05926513671875	228.0
265.3044738769531	156.0
265.5346984863281	156.0
266.0706787109375	576.0
266.3031311035156	192.0
266.4468078613281	152.0
266.7262878417969	184.0
266.7490234375	176.0
267.0516662597656	296.0
267.0887451171875	4632.0
267.14129638671875	128.0
267.175048828125	148.0
268.03131103515625	156.0
268.097412109375	17192.0
268.1441650390625	168.0
268.3952941894531	96.0
268.4591979980469	108.0
268.5790100097656	156.0
268.609619140625	180.0
268.7563781738281	132.0
268.8683166503906	144.0
268.9817199707031	296.0
269.0134582519531	116.0
269.10504150390625	37864.0
269.2390441894531	140.0
269.4924011230469	216.0
269.67608642578125	144.0
269.77996826171875	128.0
270.0111389160156	332.0
270.0719299316406	1348.0
270.1063232421875	7480.0
270.3778381347656	112.0
270.53753662109375	144.0
270.59033203125	112.0
271.00457763671875	112.0
271.108154296875	1188.0
271.3535461425781	152.0
271.6823425292969	116.0
271.9012756347656	164.0
272.021728515625	108.0
272.0509033203125	224.0
272.0813293457031	356.0
272.17236328125	144.0
272.2115173339844	144.0
272.6947021484375	144.0
273.09619140625	256.0
273.3370056152344	140.0
273.4458923339844	188.0
273.5707702636719	116.0
273.7648620605469	180.0
274.8309326171875	244.0
274.8725280761719	116.0
275.0959167480469	152.0
275.4261474609375	144.0
275.7168884277344	240.0
275.8623046875	180.0
276.10369873046875	192.0
276.159912109375	180.0
276.1996154785156	160.0
276.5313720703125	104.0
276.9197692871094	296.0
277.5342102050781	312.0
277.55743408203125	140.0
277.59197998046875	152.0
278.9095764160156	152.0
278.9352111816406	148.0
279.1878967285156	188.0
279.302001953125	160.0
279.3426208496094	176.0
279.49212646484375	140.0
279.5704650878906	148.0
279.656982421875	160.0
280.09173583984375	380.0
280.2530822753906	160.0
280.3930358886719	144.0
280.4696960449219	176.0
280.87982177734375	156.0
281.0914306640625	588.0
281.18841552734375	188.0
281.5874328613281	160.0
281.72552490234375	104.0
281.8245849609375	148.0
281.99835205078125	152.0
282.1056823730469	116.0
282.180419921875	112.0
282.47650146484375	232.0
282.63671875	144.0
282.781005859375	148.0
282.8544006347656	116.0
282.95452880859375	196.0
283.0253601074219	160.0
283.07196044921875	21876.0
283.24163818359375	160.0
283.4393005371094	172.0
283.5594787597656	128.0
283.7879638671875	160.0
283.9090576171875	152.0
284.0116271972656	148.0
284.0764465332031	4236.0
284.707275390625	112.0
284.78106689453125	96.0
284.8368225097656	144.0
285.0694580078125	1044.0
285.09735107421875	1236.0
285.1816101074219	144.0
285.21868896484375	200.0
285.4753112792969	104.0
285.84405517578125	136.0
285.8731689453125	196.0
286.06268310546875	272.0
286.10400390625	184.0
286.9732666015625	104.0
287.1029357910156	1812.0
287.2970886230469	156.0
287.5484924316406	128.0
288.1065368652344	324.0
288.20867919921875	140.0
288.36077880859375	332.0
289.6563415527344	96.0
289.7311706542969	344.0
290.4216613769531	148.0
291.0878601074219	192.0
291.1625671386719	152.0
291.2270812988281	208.0
291.65081787109375	124.0
291.6958923339844	132.0
292.0088195800781	140.0
292.19134521484375	156.0
292.270751953125	168.0
292.5890197753906	108.0
292.9107666015625	164.0
293.74591064453125	140.0
293.780029296875	156.0
293.8619079589844	188.0
295.1058044433594	100.0
295.7482604980469	172.0
296.1878662109375	140.0
296.6578674316406	132.0
297.08721923828125	904.0
297.2390441894531	200.0
297.7642517089844	140.0
297.94287109375	192.0
298.04595947265625	356.0
298.09539794921875	22392.0
298.8628234863281	108.0
299.082763671875	6768.0
299.2152099609375	108.0
299.2887268066406	208.0
299.7802429199219	292.0
299.8326110839844	124.0
299.88946533203125	164.0
300.0813293457031	1500.0
300.19580078125	116.0
300.3884582519531	144.0
300.58111572265625	120.0
300.71136474609375	176.0
300.9541320800781	160.0
300.9801330566406	216.0
301.094482421875	16628.0
301.37786865234375	164.0
301.5208435058594	96.0
301.8125	204.0
301.9370422363281	100.0
302.0351867675781	116.0
302.0965576171875	2508.0
302.2788391113281	140.0
302.6583557128906	96.0
303.0656433105469	144.0
303.09326171875	228.0
303.3280334472656	112.0
303.3609313964844	152.0
303.7236633300781	152.0
303.77020263671875	168.0
303.8152160644531	148.0
303.8896484375	96.0
304.07568359375	120.0
304.1117858886719	248.0
304.2316589355469	148.0
304.3114929199219	148.0
304.83819580078125	112.0
305.1105651855469	148.0
305.2057800292969	128.0
305.3411865234375	324.0
305.9664001464844	160.0
306.1753234863281	148.0
306.9768371582031	148.0
307.5804138183594	172.0
307.8457336425781	144.0
308.6529541015625	272.0
308.97900390625	124.0
309.4857177734375	176.0
309.72735595703125	144.0
310.1583251953125	144.0
310.3290710449219	164.0
310.473876953125	144.0
310.5102233886719	228.0
310.59332275390625	140.0
310.70538330078125	304.0
310.9404602050781	156.0
311.00860595703125	116.0
311.30206298828125	176.0
311.5679931640625	140.0
312.0356750488281	148.0
312.58660888671875	132.0
312.8138732910156	148.0
312.94842529296875	132.0
313.0828857421875	1704.0
313.1313171386719	156.0
313.18487548828125	112.0
313.2547912597656	348.0
313.50421142578125	152.0
313.7093505859375	120.0
313.83087158203125	208.0
313.9335021972656	160.0
313.99237060546875	232.0
314.08612060546875	768.0
314.1579895019531	140.0
314.2319641113281	108.0
314.3345642089844	164.0
314.43524169921875	148.0
314.48236083984375	208.0
314.511474609375	116.0
314.624267578125	256.0
314.6917419433594	172.0
314.7718200683594	220.0
314.84454345703125	100.0
314.87890625	96.0
314.91522216796875	332.0
314.9671936035156	140.0
314.9893493652344	304.0
315.0191345214844	304.0
315.0530090332031	568.0
315.0993957519531	312672.0
315.21112060546875	268.0
315.2248840332031	152.0
315.23248291015625	148.0
315.27801513671875	172.0
315.3287658691406	96.0
315.3660888671875	204.0
315.41497802734375	220.0
315.4623718261719	140.0
315.5199890136719	100.0
315.6414794921875	280.0
315.6804504394531	1580.0
315.7341003417969	236.0
315.7664489746094	212.0
315.7972412109375	248.0
315.8571472167969	128.0
315.95489501953125	208.0
316.014404296875	140.0
316.10137939453125	60044.0
316.2181701660156	240.0
316.26171875	236.0
316.3011474609375	248.0
316.3293151855469	116.0
316.3775634765625	204.0
316.4647216796875	180.0
316.5090026855469	196.0
316.54376220703125	112.0
316.5741882324219	212.0
316.651611328125	96.0
316.81207275390625	156.0
316.8592529296875	232.0
316.8919372558594	236.0
316.9275207519531	220.0
317.0292053222656	124.0
317.10308837890625	6272.0
317.4048156738281	188.0
317.4476013183594	204.0
317.5354919433594	136.0
317.68768310546875	204.0
317.7214660644531	124.0
317.7745361328125	156.0
317.8111572265625	148.0
317.8466796875	264.0
317.878662109375	140.0
317.9057922363281	228.0
317.93182373046875	436.0
317.959228515625	256.0
318.0001525878906	316.0
318.03656005859375	280.0
318.1039733886719	864.0
318.1559143066406	232.0
318.1856994628906	120.0
318.22088623046875	156.0
318.2533874511719	212.0
318.29718017578125	288.0
318.40850830078125	232.0
318.4445495605469	188.0
318.5298767089844	136.0
318.59869384765625	104.0
318.65972900390625	184.0
318.8515930175781	140.0
319.02490234375	276.0
319.06396484375	188.0
319.2911071777344	116.0
319.3504638671875	116.0
319.3818054199219	216.0
319.51873779296875	128.0
319.5616149902344	132.0
320.3021240234375	136.0
320.5928955078125	120.0
320.7507019042969	112.0
320.80926513671875	192.0
320.9384765625	116.0
322.34912109375	148.0
322.55126953125	160.0
322.7872314453125	208.0
322.9302673339844	148.0
323.3514404296875	128.0
323.4025573730469	336.0
323.6925354003906	148.0
324.2247619628906	96.0
324.3163757324219	212.0
324.6167907714844	264.0
324.6680908203125	136.0
324.8095703125	112.0
325.44317626953125	136.0
325.60906982421875	120.0
325.661376953125	140.0
326.1476135253906	136.0
326.6189270019531	120.0
326.65350341796875	244.0
327.7131652832031	100.0
328.1506652832031	144.0
328.46026611328125	100.0
328.8550109863281	152.0
329.16595458984375	120.0
329.4183044433594	148.0
331.0386047363281	140.0
331.0912170410156	3408.0
331.52764892578125	196.0
331.96630859375	208.0
332.0520324707031	100.0
332.0974426269531	832.0
333.09759521484375	124.0
333.4220275878906	216.0
333.9114074707031	116.0
334.1153869628906	128.0
334.2438659667969	156.0
335.19061279296875	148.0
335.4129333496094	192.0
336.61688232421875	140.0
336.69390869140625	124.0
337.35662841796875	120.0
338.55621337890625	108.0
339.2951354980469	144.0
339.6490173339844	120.0
340.693359375	164.0
341.3527526855469	168.0
341.7779541015625	172.0
342.15704345703125	140.0
342.2798156738281	188.0
342.8828125	116.0
343.2107849121094	248.0
344.76263427734375	120.0
345.34527587890625	196.0
345.693359375	148.0
346.18170166015625	188.0
346.3705749511719	172.0
347.2620544433594	148.0
347.56060791015625	144.0
349.0686950683594	200.0
349.4510803222656	100.0
349.6788024902344	144.0
349.76812744140625	172.0
349.9003601074219	132.0
350.12713623046875	132.0
350.26708984375	144.0
350.70306396484375	140.0
350.80828857421875	156.0
351.2073974609375	164.0
351.7237548828125	160.0
353.77899169921875	120.0
353.9339904785156	176.0
354.0543518066406	160.0
354.1335144042969	112.0
354.3078308105469	112.0
354.4447021484375	172.0
354.54266357421875	136.0
355.7002868652344	148.0
355.8328857421875	124.0
355.90423583984375	160.0
355.96795654296875	176.0
356.1246032714844	180.0
356.242919921875	168.0
356.489013671875	176.0
358.2347717285156	200.0
358.2912902832031	148.0
358.40960693359375	112.0
359.40350341796875	164.0
359.7356262207031	144.0
359.8035888671875	152.0
359.9070129394531	172.0
360.16986083984375	168.0
362.1404724121094	140.0
362.16802978515625	188.0
362.5703430175781	108.0
362.69744873046875	220.0
363.6061706542969	176.0
363.6413269042969	132.0
364.48114013671875	144.0
364.5875549316406	140.0
365.2833251953125	140.0
366.2425537109375	164.0
366.4939880371094	148.0
366.689697265625	136.0
366.76324462890625	128.0
366.93609619140625	168.0
367.2289123535156	100.0
367.4326171875	132.0
367.81201171875	124.0
367.9486083984375	152.0
367.9956970214844	148.0
368.1265563964844	144.0
369.02081298828125	104.0
369.2080383300781	144.0
369.4719543457031	164.0
369.5599670410156	148.0
369.6981506347656	104.0
369.99627685546875	160.0
370.26812744140625	208.0
370.6703796386719	140.0
371.72137451171875	136.0
371.8284912109375	140.0
372.2507629394531	192.0
372.37750244140625	148.0
372.757080078125	184.0
373.1144714355469	152.0
373.6371154785156	104.0
375.69232177734375	256.0
376.47674560546875	128.0
376.6199951171875	164.0
376.7546081542969	128.0
376.7970886230469	164.0
377.031494140625	216.0
377.1462707519531	172.0
377.4731140136719	116.0
378.1749572753906	140.0
378.5905456542969	176.0
378.7294006347656	140.0
378.9042663574219	104.0
379.140625	140.0
379.46624755859375	160.0
379.6100769042969	120.0
379.7609558105469	160.0
380.0130920410156	144.0
380.47882080078125	148.0
382.14691162109375	140.0
382.9947814941406	140.0
383.1778564453125	148.0
383.2908630371094	152.0
383.4895935058594	164.0
383.81317138671875	168.0
385.41741943359375	140.0
385.8277893066406	184.0
385.9880065917969	172.0
386.0663146972656	148.0
386.9492492675781	152.0
387.0406494140625	140.0
387.1836242675781	108.0
387.7347717285156	128.0
387.9819030761719	100.0
388.1025085449219	176.0
388.292724609375	116.0
389.5939025878906	152.0
390.3092041015625	216.0
390.681640625	120.0
391.26171875	124.0
391.58880615234375	156.0
391.6454772949219	160.0
392.1042785644531	156.0
392.64044189453125	192.0
393.1690979003906	196.0
393.2611389160156	136.0
393.4591979980469	232.0
393.69378662109375	132.0
394.5041198730469	140.0
394.8085632324219	180.0
394.8895568847656	144.0
395.105224609375	168.0
395.3139953613281	136.0
396.00775146484375	140.0
396.4910888671875	160.0
396.5188293457031	180.0
397.0753479003906	128.0
397.16229248046875	112.0
397.2959899902344	140.0
399.10308837890625	168.0
399.8125305175781	136.0
400.9412841796875	164.0
401.70770263671875	176.0
402.0280456542969	192.0
402.2525329589844	148.0
402.4100646972656	140.0
403.3808288574219	164.0
403.4367980957031	152.0
403.5927429199219	168.0
404.06658935546875	152.0
404.1326904296875	156.0
404.19805908203125	120.0
404.8272705078125	100.0
404.97735595703125	148.0
405.6805114746094	284.0
406.11566162109375	152.0
406.57537841796875	148.0
407.3439025878906	220.0
407.409423828125	116.0
407.76580810546875	156.0
407.90899658203125	160.0
407.99493408203125	168.0
408.31658935546875	168.0
408.4396667480469	160.0
409.12359619140625	128.0
409.913818359375	112.0
410.9712219238281	144.0
411.7549133300781	144.0
411.89337158203125	172.0
411.99359130859375	104.0
412.206787109375	156.0
412.63677978515625	204.0
412.7021484375	160.0
412.9281921386719	180.0
413.8865051269531	196.0
414.173583984375	320.0
414.3188171386719	168.0
414.5781555175781	164.0
415.1756896972656	188.0
415.216064453125	224.0
415.7379455566406	248.0
415.9814758300781	144.0
416.1814880371094	104.0
417.1020202636719	168.0
417.22454833984375	184.0
417.26519775390625	168.0
417.44818115234375	232.0
417.8600158691406	96.0
418.5712890625	160.0
419.5694885253906	168.0
419.9161071777344	188.0
419.970703125	164.0
421.2344665527344	144.0
421.365966796875	220.0
421.5672302246094	148.0
421.66119384765625	144.0
421.8262634277344	112.0
422.2604064941406	156.0
422.86590576171875	156.0
422.899169921875	140.0
423.074951171875	112.0
423.1531677246094	208.0
423.26531982421875	132.0
423.61932373046875	148.0
423.8965148925781	140.0
424.1710205078125	132.0
424.3753356933594	144.0
425.210205078125	180.0
426.4752197265625	180.0
426.7835388183594	168.0
426.9274597167969	156.0
427.70916748046875	220.0
427.939697265625	220.0
428.0782775878906	140.0
428.3437194824219	112.0
428.4586181640625	192.0
428.62115478515625	132.0
429.6978454589844	176.0
430.3062744140625	144.0
430.4177551269531	208.0
431.0704040527344	204.0
431.21502685546875	156.0
431.61895751953125	152.0
432.08404541015625	152.0
432.4020080566406	168.0
433.9595642089844	144.0
433.9927062988281	156.0
434.1585998535156	140.0
434.6065673828125	148.0
435.12689208984375	156.0
435.41705322265625	100.0
435.5032653808594	148.0
435.80133056640625	144.0
436.25537109375	156.0
436.62274169921875	240.0
436.69482421875	308.0
437.48822021484375	100.0
437.6500244140625	108.0
437.8114929199219	156.0
438.1476135253906	184.0
438.2474060058594	148.0
438.8679504394531	120.0
438.9449768066406	148.0
439.0955505371094	112.0
439.1868591308594	228.0
439.37713623046875	104.0
439.44549560546875	156.0
439.7083740234375	144.0
440.4583435058594	168.0
440.5225830078125	160.0
440.7825927734375	156.0
441.1634826660156	152.0
441.4713439941406	220.0
441.5742492675781	172.0
442.41558837890625	124.0
442.635986328125	192.0
443.05767822265625	240.0
443.75128173828125	152.0
444.1098327636719	168.0
444.2356872558594	224.0
445.0372619628906	164.0
445.094482421875	204.0
445.4771423339844	168.0
445.58087158203125	140.0
446.36114501953125	120.0
446.78564453125	160.0
446.9244689941406	200.0
447.11383056640625	248.0
448.46356201171875	168.0
448.516357421875	156.0
448.64703369140625	140.0
448.7608642578125	148.0
448.9632568359375	164.0
449.1719665527344	148.0
449.3839416503906	184.0
449.4471740722656	196.0
449.7353210449219	140.0
450.5841064453125	144.0
450.8592529296875	172.0
451.4017333984375	208.0
451.4336853027344	144.0
452.2625427246094	132.0
452.415283203125	140.0
452.4963684082031	164.0
452.70745849609375	188.0
453.1394958496094	144.0
453.3301696777344	176.0
453.6580810546875	108.0
453.69903564453125	124.0
454.17596435546875	128.0
454.53277587890625	212.0
455.2292785644531	132.0
455.7955627441406	244.0
456.4034118652344	200.0
456.67132568359375	152.0
457.2928466796875	140.0
457.98223876953125	188.0
458.6842346191406	96.0
459.0732727050781	148.0
459.26092529296875	148.0
459.9632568359375	100.0
460.248046875	108.0
461.0494079589844	128.0
461.76617431640625	128.0
462.42230224609375	104.0
462.43475341796875	96.0
463.10919189453125	156.0
463.9818420410156	152.0
464.36273193359375	184.0
465.3180236816406	116.0
466.3040771484375	144.0
466.37713623046875	140.0
466.4631042480469	176.0
466.7769470214844	176.0
467.2881164550781	128.0
467.4025573730469	136.0
467.4496765136719	276.0
467.7002868652344	148.0
467.7879943847656	152.0
467.8275451660156	132.0
467.95062255859375	140.0
468.5228271484375	164.0
468.71307373046875	156.0
469.3424072265625	240.0
469.72711181640625	160.0
470.5279235839844	96.0
470.84149169921875	128.0
471.0220947265625	264.0
471.4336242675781	204.0
471.87774658203125	212.0
472.498779296875	188.0
472.7398986816406	148.0
472.8250427246094	188.0
473.0263977050781	104.0
473.06744384765625	196.0
473.307373046875	144.0
473.67254638671875	140.0
473.83551025390625	180.0
473.9942626953125	140.0
474.19873046875	248.0
474.35400390625	180.0
474.6286926269531	112.0
474.7186584472656	108.0
475.1172180175781	152.0
475.2109375	184.0
475.6423034667969	156.0
475.8289489746094	140.0
476.21234130859375	140.0
476.317626953125	152.0
476.5584411621094	108.0
477.2239685058594	100.0
477.68023681640625	144.0
477.7457275390625	140.0
477.968994140625	152.0
478.35906982421875	152.0
478.5518798828125	112.0
478.881591796875	168.0
478.98175048828125	148.0
479.43206787109375	124.0
480.39410400390625	156.0
481.673095703125	188.0
481.7997741699219	152.0
481.9837341308594	116.0
482.0881652832031	188.0
482.58062744140625	108.0
482.9494323730469	236.0
483.2422180175781	180.0
483.3431701660156	288.0
483.3956604003906	140.0
483.5982666015625	192.0
483.6958923339844	148.0
483.9576721191406	168.0
485.21337890625	144.0
485.4676818847656	148.0
485.537841796875	152.0
485.6562805175781	232.0
485.72784423828125	176.0
485.9815368652344	120.0
486.42413330078125	168.0
486.8807678222656	144.0
487.4378356933594	128.0
487.5776062011719	136.0
488.0339660644531	120.0
488.67578125	112.0
488.9291076660156	108.0
489.187744140625	192.0
489.81658935546875	104.0
490.0693054199219	164.0
490.53680419921875	156.0
491.0699462890625	112.0
491.1549987792969	144.0
491.40948486328125	140.0
491.4560241699219	96.0
491.9001159667969	148.0
492.014892578125	168.0
492.4893798828125	176.0
493.29156494140625	188.0
493.5218505859375	188.0
494.7425537109375	168.0
496.14703369140625	248.0
496.30316162109375	180.0
496.6983337402344	204.0
497.0683288574219	112.0
497.2247619628906	144.0
497.26025390625	152.0
497.4075012207031	116.0
497.5786437988281	252.0
497.7218322753906	160.0
498.1705017089844	248.0
498.33416748046875	124.0
498.50140380859375	160.0
498.5432434082031	116.0
498.9922790527344	96.0
499.13287353515625	104.0
499.348388671875	176.0
500.0894470214844	136.0
500.1350402832031	100.0
500.2121276855469	132.0
500.2991638183594	172.0
500.4477233886719	100.0
500.69439697265625	164.0
500.8283386230469	140.0
500.8721923828125	124.0
501.05230712890625	112.0
501.2608337402344	108.0
501.37109375	136.0
501.48797607421875	140.0
501.5256042480469	268.0
501.65093994140625	136.0
501.697265625	192.0
501.79901123046875	228.0
501.8900146484375	220.0
501.95556640625	116.0
502.0508728027344	220.0
502.1094055175781	160.0
502.19537353515625	116.0
502.30950927734375	384.0
502.4231262207031	168.0
502.51507568359375	96.0
502.59967041015625	152.0
502.8663330078125	244.0
502.9294128417969	268.0
502.9938049316406	132.0
503.07415771484375	144.0
503.1347961425781	292.0
503.19427490234375	268.0
503.2489929199219	192.0
503.3139953613281	276.0
503.3797912597656	180.0
503.4555969238281	196.0
503.5227355957031	224.0
503.5582580566406	164.0
503.6678466796875	180.0
503.75579833984375	248.0
503.8159484863281	296.0
503.8850402832031	216.0
503.9158020019531	180.0
503.96942138671875	356.0
504.0233459472656	216.0
504.0743713378906	412.0
504.11566162109375	344.0
504.21649169921875	752.0
504.334716796875	424.0
504.4078063964844	276.0
504.4526672363281	364.0
504.48382568359375	388.0
504.5851135253906	292.0
504.6280822753906	268.0
504.6775817871094	204.0
504.7442626953125	280.0
504.7792053222656	264.0
504.84844970703125	360.0
504.9168395996094	336.0
504.96380615234375	372.0
505.0671691894531	492.0
505.12530517578125	292.0
505.2044372558594	700.0
505.2684326171875	312.0
505.3160095214844	464.0
505.39239501953125	456.0
505.4203796386719	460.0
505.46478271484375	452.0
505.5540466308594	624.0
505.61566162109375	644.0
505.675537109375	312.0
505.7177734375	312.0
505.7554626464844	324.0
505.8509826660156	512.0
505.9288330078125	616.0
505.9704284667969	624.0
506.0417175292969	672.0
506.1395263671875	1672.0
506.2322692871094	245148.0
506.533935546875	292.0
506.647216796875	3052.0
506.68438720703125	1028.0
506.7200622558594	864.0
506.796875	1236.0
506.843994140625	1692.0
506.91064453125	1368.0
506.9900207519531	12512.0
507.14599609375	968.0
507.2351379394531	216304.0
507.3782958984375	172.0
507.4272155761719	140.0
507.538330078125	212.0
507.6653137207031	3192.0
507.7369079589844	876.0
507.7769775390625	708.0
507.83740234375	120.0
507.8877868652344	120.0
507.9180908203125	328.0
507.9776306152344	1512.0
508.0331726074219	1040.0
508.07342529296875	396.0
508.1120910644531	432.0
508.16064453125	252.0
508.23553466796875	64076.0
508.36590576171875	324.0
508.3982849121094	476.0
508.4502258300781	432.0
508.489990234375	172.0
508.55828857421875	120.0
508.67498779296875	252.0
508.7468566894531	496.0
508.8023681640625	492.0
508.8774108886719	256.0
508.9117431640625	208.0
509.02423095703125	232.0
509.0550231933594	388.0
509.1083984375	196.0
509.1552734375	232.0
509.2386779785156	6280.0
509.4697265625	372.0
509.5341491699219	180.0
509.5729064941406	372.0
509.7005920410156	284.0
509.73529052734375	220.0
509.806884765625	384.0
509.8635559082031	392.0
509.917236328125	316.0
510.050048828125	236.0
510.12811279296875	464.0
510.15814208984375	528.0
510.2375793457031	1400.0
510.3038024902344	516.0
510.39581298828125	384.0
510.4628601074219	320.0
510.56512451171875	244.0
510.59942626953125	288.0
510.699462890625	136.0
510.7704772949219	120.0
510.8608093261719	260.0
510.9261779785156	352.0
511.0488586425781	268.0
511.09735107421875	224.0
511.173095703125	252.0
511.2250061035156	272.0
511.382568359375	428.0
511.5265197753906	140.0
511.6401062011719	176.0
511.7075500488281	164.0
511.76971435546875	184.0
511.86376953125	128.0
511.9233703613281	188.0
511.9910888671875	160.0
512.1441040039062	128.0
512.4924926757812	128.0
512.5577392578125	120.0
512.9352416992188	244.0
513.351806640625	196.0
513.8245239257812	116.0
514.1053466796875	112.0
514.1937255859375	96.0
514.6941528320312	148.0
515.513427734375	132.0
517.8557739257812	104.0
520.2244873046875	108.0
521.2693481445312	132.0
521.8865356445312	124.0
522.0654296875	160.0
522.114013671875	96.0
522.3775634765625	172.0
522.8812255859375	128.0
523.1839599609375	116.0
523.31494140625	228.0
524.4269409179688	96.0
524.8009643554688	96.0
524.9496459960938	112.0
526.0469970703125	96.0
526.8544921875	120.0
527.666259765625	188.0
527.7836303710938	172.0
528.6506958007812	116.0
529.9257202148438	148.0
530.7997436523438	144.0
530.9496459960938	112.0
541.6038818359375	140.0
564.8026733398438	140.0
565.9602661132812	136.0
566.6583251953125	168.0
580.2750854492188	148.0
597.5707397460938	144.0
623.2855224609375	120.0
634.612548828125	188.0
648.5059204101562	148.0
648.789794921875	148.0
658.3682861328125	112.0
661.0341796875	140.0
671.2152709960938	160.0
684.9127807617188	176.0
689.9536743164062	148.0
693.074951171875	108.0
700.0277099609375	144.0
705.29296875	140.0
713.7153930664062	100.0
743.458740234375	100.0
746.9524536132812	108.0
761.7470092773438	164.0
780.5790405273438	104.0
784.3230590820312	132.0
828.9955444335938	152.0
837.7899780273438	160.0
838.4910888671875	112.0
847.1450805664062	108.0
907.8414916992188	100.0
921.42578125	116.0
927.5756225585938	140.0
930.8207397460938	100.0
980.990966796875	112.0
993.3263549804688	116.0
1003.9950561523438	108.0
1053.5706787109375	140.0
1058.7322998046875	212.0
1143.7528076171875	140.0
1152.7293701171875	148.0
1190.606689453125	184.0
1202.466552734375	136.0
1209.4842529296875	144.0
1241.7442626953125	216.0
1247.220703125	224.0
1253.998779296875	172.0
1255.1619873046875	172.0
1255.4722900390625	176.0
1274.919189453125	140.0
1285.075439453125	216.0
1288.7359619140625	148.0
1290.43701171875	172.0
1299.2603759765625	180.0
1301.6934814453125	164.0
1306.9696044921875	184.0
1308.8194580078125	168.0
1334.498291015625	180.0
1335.2982177734375	144.0
1350.07373046875	148.0
1351.1708984375	148.0
1353.827880859375	148.0
1362.8870849609375	144.0
1363.3353271484375	200.0
1364.0335693359375	248.0
1367.6376953125	184.0
1371.032958984375	192.0
1376.94970703125	184.0
1379.861083984375	224.0
1380.3935546875	156.0
1381.2662353515625	240.0
1389.1849365234375	144.0
1392.75537109375	148.0
1398.01904296875	180.0
1400.103515625	212.0
1400.2972412109375	176.0
1407.3665771484375	140.0
1408.21044921875	192.0
1408.5838623046875	180.0
1414.9703369140625	148.0
1431.436279296875	152.0
1434.676025390625	180.0
1444.3115234375	168.0
1448.52001953125	144.0
1467.9920654296875	148.0
1473.7200927734375	112.0
1476.9659423828125	176.0
1491.135009765625	196.0
1491.2117919921875	204.0
1496.150146484375	204.0
1499.423828125	220.0
1502.631591796875	148.0
1502.8089599609375	220.0
1503.7581787109375	224.0
1509.8306884765625	244.0
1511.4552001953125	172.0
1519.257080078125	208.0
1529.0474853515625	180.0
1533.8687744140625	172.0
1535.3111572265625	220.0
1540.1812744140625	168.0
1549.96826171875	200.0
1550.6265869140625	148.0
1556.664306640625	164.0
1564.317138671875	192.0
1567.530517578125	236.0
1570.78662109375	192.0
1581.255859375	172.0
1583.3221435546875	148.0
1586.618408203125	196.0
1592.911376953125	200.0
1602.2396240234375	172.0
1611.19384765625	172.0
1618.5201416015625	144.0
1625.3734130859375	212.0
1625.4697265625	144.0
1633.0540771484375	184.0
1636.2552490234375	192.0
1646.2867431640625	140.0
1653.295654296875	188.0
1661.463134765625	176.0
1665.6680908203125	160.0
1667.6019287109375	172.0
1671.228759765625	152.0
1676.03271484375	256.0
1682.1494140625	148.0
1682.43505859375	140.0
1686.607666015625	112.0
1688.13720703125	168.0
1689.4140625	140.0
1689.9786376953125	192.0
1693.6953125	160.0
1695.6944580078125	140.0
1698.2442626953125	160.0
1707.9281005859375	220.0
1709.9439697265625	216.0
1714.3416748046875	176.0
1717.1859130859375	152.0
1717.9365234375	144.0
1720.78369140625	152.0
1727.9161376953125	172.0
1729.23193359375	144.0
1730.9786376953125	160.0
1731.334716796875	160.0
1734.6240234375	152.0
1735.7100830078125	168.0
1737.1864013671875	180.0
1738.0657958984375	184.0
1741.84326171875	144.0
1742.192138671875	160.0
1742.3914794921875	176.0
1744.9263916015625	164.0
1745.7412109375	144.0
1747.6710205078125	220.0
1749.2689208984375	148.0
1752.9334716796875	152.0
1755.242431640625	156.0
1755.4176025390625	208.0
1755.50927734375	168.0
1756.9189453125	176.0
1757.0606689453125	176.0
1757.40283203125	140.0
1760.9505615234375	144.0
1763.0224609375	180.0
1765.0538330078125	164.0
1768.2996826171875	196.0
1773.685302734375	156.0
1775.7982177734375	148.0
1782.6739501953125	168.0
1785.515380859375	220.0
1789.04931640625	152.0
1791.1461181640625	144.0
1792.7132568359375	184.0
1793.0081787109375	108.0
1807.219970703125	140.0
1812.986572265625	152.0
1814.6055908203125	200.0
1815.5382080078125	156.0
1815.631591796875	144.0
1816.4627685546875	188.0
1819.543212890625	232.0
1826.6319580078125	132.0
1826.9879150390625	192.0
1834.16650390625	144.0
1835.3173828125	192.0
1836.809814453125	188.0
1837.7738037109375	160.0
1838.4906005859375	184.0
1841.0516357421875	148.0
1842.5465087890625	164.0
1843.597412109375	140.0
1843.9393310546875	168.0
1844.0760498046875	176.0
1844.46923828125	196.0
1845.7515869140625	156.0
1846.6409912109375	144.0
1850.534423828125	180.0
1850.722900390625	152.0
1856.0782470703125	164.0
1856.5240478515625	168.0
1857.7335205078125	164.0
1861.0118408203125	200.0
1862.30859375	172.0
1864.9892578125	172.0
1865.178466796875	140.0
1865.27294921875	212.0
1868.64453125	140.0
1872.724365234375	160.0
1874.3612060546875	180.0
1876.86083984375	176.0
1879.5521240234375	196.0
1880.0784912109375	160.0
1880.9849853515625	148.0
1883.3333740234375	152.0
1884.1971435546875	144.0
1890.6385498046875	164.0
1890.8033447265625	164.0
1891.175537109375	192.0
1891.70361328125	216.0
1894.275390625	144.0
1902.08447265625	208.0
1906.0572509765625	192.0
1906.57861328125	140.0
1912.6580810546875	176.0
1912.7625732421875	156.0
1916.0107421875	168.0
1916.39404296875	152.0
1916.5247802734375	168.0
1916.739501953125	188.0
1919.470947265625	140.0
1922.044189453125	144.0
1924.645263671875	224.0
1927.6239013671875	152.0
1932.0042724609375	144.0
1933.7105712890625	168.0
1934.69970703125	176.0
1935.268798828125	160.0
1935.636474609375	140.0
1936.126953125	164.0
1937.5721435546875	140.0
1940.5081787109375	176.0
1941.2359619140625	140.0
1941.70068359375	144.0
1942.2796630859375	172.0
1946.790771484375	168.0
1949.1976318359375	152.0
1949.7886962890625	204.0
1949.9359130859375	148.0
1950.0369873046875	144.0
1952.98681640625	172.0
1953.5321044921875	160.0
1955.6689453125	180.0
1956.33935546875	160.0
1959.5185546875	200.0
1959.6419677734375	160.0
1963.317626953125	204.0
1963.4388427734375	136.0
1964.5347900390625	148.0
1965.443603515625	148.0
1965.7965087890625	172.0
1967.81787109375	192.0
1968.1180419921875	176.0
1974.9000244140625	128.0
1975.25	184.0
1976.7452392578125	156.0
1978.3028564453125	144.0
1983.2012939453125	168.0
1983.7686767578125	200.0
1984.6729736328125	172.0
1985.080810546875	172.0
1986.1451416015625	160.0
1987.906982421875	200.0
1991.24853515625	208.0
1992.101318359375	176.0
1993.6917724609375	140.0
1995.5836181640625	216.0
1995.851806640625	144.0
1996.3675537109375	116.0
1999.4722900390625	176.0
2000.4959716796875	172.0
2001.591064453125	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078915
PEPMASS=304.114044
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_A2_B11_BB8_01_15713.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCOC(=O)c1ncn-2c1CN(C)C(=O)c3cc(F)ccc32
INCHI=InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
INCHIAUX=OFBIFZUFASYYRE-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078915
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078915
SCANS=1142
45.03439712524414	148.0
45.057838439941406	204.0
45.269779205322266	184.0
45.3823356628418	164.0
45.56890106201172	144.0
45.82588195800781	172.0
46.33388137817383	224.0
46.6854362487793	208.0
47.188594818115234	168.0
47.34048080444336	196.0
47.76870346069336	152.0
47.960105895996094	224.0
48.08837890625	156.0
48.12289047241211	188.0
48.2624397277832	208.0
48.55573272705078	116.0
48.619834899902344	152.0
48.70160675048828	156.0
49.03230285644531	152.0
49.24834442138672	184.0
49.2645149230957	144.0
49.52469253540039	208.0
49.93384552001953	164.0
50.062599182128906	224.0
50.227500915527344	184.0
50.68697738647461	160.0
50.971168518066406	144.0
51.181976318359375	192.0
51.25678634643555	140.0
51.57075500488281	160.0
51.92439651489258	140.0
52.13256072998047	192.0
52.34834289550781	164.0
52.632415771484375	172.0
52.99256896972656	172.0
53.38302993774414	144.0
53.47177505493164	204.0
53.90928649902344	140.0
54.08186340332031	140.0
54.14468002319336	168.0
54.76756286621094	188.0
54.895530700683594	188.0
55.093563079833984	228.0
55.598480224609375	176.0
55.66231155395508	160.0
55.85551834106445	140.0
55.87337112426758	192.0
56.069923400878906	176.0
56.29350662231445	188.0
56.334022521972656	164.0
56.34761047363281	212.0
56.550838470458984	164.0
56.57628631591797	140.0
56.63618469238281	140.0
56.65565872192383	180.0
56.84457778930664	152.0
57.033809661865234	176.0
57.33633041381836	172.0
57.44963073730469	172.0
57.58073806762695	164.0
58.20921325683594	144.0
58.27908706665039	156.0
58.5711784362793	140.0
58.76021194458008	152.0
59.180519104003906	204.0
59.733009338378906	144.0
59.84535217285156	168.0
60.213905334472656	176.0
60.26333999633789	224.0
60.385459899902344	204.0
60.5795783996582	156.0
60.80946350097656	144.0
61.00414276123047	168.0
61.0570068359375	140.0
61.102115631103516	184.0
61.51353454589844	196.0
62.00623321533203	164.0
62.0877571105957	252.0
62.83511734008789	144.0
63.33921432495117	160.0
63.739013671875	148.0
63.90437698364258	144.0
64.5839614868164	160.0
64.63675689697266	148.0
64.67996978759766	180.0
64.79846954345703	164.0
64.8353271484375	224.0
65.57462310791016	184.0
65.7536392211914	168.0
65.7826919555664	196.0
65.87312316894531	184.0
66.04446411132812	140.0
66.33269500732422	164.0
66.69074249267578	212.0
66.8182601928711	180.0
67.44424438476562	152.0
67.68331146240234	240.0
67.7979736328125	156.0
67.91110229492188	144.0
68.06536865234375	196.0
68.31189727783203	140.0
68.37112426757812	140.0
69.19480895996094	160.0
69.53462219238281	180.0
69.73535919189453	148.0
70.29348754882812	152.0
70.83686065673828	200.0
71.16724395751953	184.0
71.32516479492188	168.0
71.3587875366211	152.0
71.5960464477539	152.0
71.83712768554688	124.0
71.9737777709961	152.0
72.04302215576172	148.0
72.09070587158203	180.0
72.16470336914062	164.0
72.34234619140625	208.0
72.4919204711914	180.0
72.58123016357422	152.0
72.76956939697266	148.0
72.81541442871094	160.0
72.85787963867188	192.0
73.02106475830078	156.0
73.76789855957031	172.0
74.2404556274414	148.0
75.35587310791016	156.0
75.95311737060547	164.0
76.06744384765625	104.0
76.28826141357422	212.0
76.4273910522461	160.0
76.47710418701172	220.0
76.6258773803711	196.0
77.2298812866211	152.0
77.39788055419922	244.0
77.63053131103516	120.0
78.02249145507812	176.0
78.05062103271484	200.0
78.21951293945312	188.0
78.35159301757812	156.0
78.41326141357422	184.0
78.42736053466797	164.0
80.23551177978516	144.0
80.46652221679688	116.0
80.76945495605469	160.0
81.17127227783203	100.0
81.31773376464844	208.0
81.55841064453125	156.0
81.7319564819336	168.0
81.84625244140625	176.0
82.00166320800781	148.0
82.09131622314453	140.0
82.38912963867188	172.0
82.67481994628906	168.0
83.00450897216797	212.0
83.0444107055664	172.0
83.11697387695312	156.0
83.18412017822266	160.0
83.31668853759766	140.0
83.60943603515625	148.0
83.77877044677734	180.0
84.5767593383789	160.0
84.81671142578125	152.0
85.0711669921875	140.0
85.1396255493164	140.0
85.74407958984375	116.0
86.25061798095703	144.0
86.35971069335938	188.0
86.4596176147461	188.0
86.77014923095703	260.0
86.9173355102539	152.0
87.39114379882812	200.0
87.56426239013672	160.0
88.41559600830078	152.0
88.59909057617188	160.0
88.7227783203125	160.0
88.91973876953125	176.0
89.06890106201172	188.0
89.1507339477539	152.0
89.17328643798828	160.0
89.3575668334961	168.0
89.37261962890625	216.0
89.44225311279297	164.0
90.2742691040039	160.0
90.78367614746094	140.0
91.32685089111328	176.0
92.06250762939453	144.0
92.08160400390625	196.0
92.3071060180664	140.0
92.70336151123047	156.0
92.88742065429688	176.0
93.05245971679688	164.0
93.12350463867188	152.0
93.1580810546875	176.0
93.2157211303711	152.0
93.27571868896484	184.0
93.33682250976562	212.0
93.3791275024414	152.0
93.5715560913086	200.0
93.64974212646484	180.0
93.68132781982422	160.0
93.82971954345703	188.0
93.91071319580078	140.0
94.07521057128906	176.0
94.09982299804688	148.0
94.26013946533203	140.0
94.32089233398438	120.0
94.39738464355469	256.0
94.45927429199219	164.0
94.70703887939453	240.0
95.99945831298828	172.0
96.12054443359375	168.0
96.40000915527344	128.0
96.61080169677734	204.0
96.8809585571289	196.0
97.04754638671875	156.0
97.73303985595703	148.0
97.77042388916016	148.0
97.7842025756836	228.0
97.87278747558594	216.0
98.49005889892578	168.0
98.51654052734375	244.0
98.6303482055664	176.0
98.80634307861328	156.0
99.28173065185547	228.0
99.33726501464844	200.0
99.48014068603516	168.0
99.93724060058594	140.0
100.11241149902344	176.0
100.19208526611328	168.0
100.62885284423828	148.0
100.87857055664062	196.0
101.17264556884766	148.0
101.5112533569336	180.0
101.56139373779297	172.0
101.98103332519531	192.0
102.34967803955078	160.0
102.89961242675781	168.0
102.92585754394531	156.0
102.95816802978516	212.0
102.98038482666016	192.0
103.27952575683594	152.0
103.44823455810547	192.0
103.83448028564453	204.0
104.00084686279297	240.0
104.54348754882812	144.0
104.6900634765625	188.0
105.2957534790039	200.0
106.17578125	152.0
106.22911071777344	172.0
106.50689697265625	196.0
106.60689544677734	148.0
107.00836181640625	136.0
107.03269958496094	452.0
107.04917907714844	168.0
108.37529754638672	140.0
108.40016174316406	140.0
108.69383239746094	180.0
109.32730102539062	124.0
109.52503204345703	160.0
109.64288330078125	156.0
109.72834777832031	140.0
110.6568603515625	196.0
110.70623016357422	140.0
110.8764419555664	160.0
111.0655746459961	184.0
111.20099639892578	188.0
111.27446746826172	140.0
111.35215759277344	140.0
111.99996948242188	148.0
112.22756958007812	216.0
112.29833984375	172.0
112.38575744628906	148.0
112.43218231201172	176.0
113.61615753173828	152.0
113.70198059082031	148.0
113.99788665771484	272.0
114.4566421508789	216.0
114.51839447021484	196.0
114.74427795410156	156.0
114.8898696899414	148.0
115.13689422607422	160.0
115.45745849609375	180.0
115.61791229248047	160.0
115.67784118652344	156.0
115.75492095947266	192.0
116.73773193359375	180.0
116.78934478759766	188.0
116.8130111694336	204.0
116.90216827392578	164.0
117.407470703125	160.0
117.48296356201172	168.0
117.52117156982422	152.0
117.5735855102539	152.0
117.68367004394531	164.0
118.35828399658203	172.0
119.16731262207031	212.0
119.34554290771484	156.0
119.48345184326172	156.0
119.56307220458984	160.0
119.65448760986328	172.0
120.30113983154297	232.0
120.45919799804688	144.0
120.82864379882812	156.0
121.04818725585938	172.0
121.21619415283203	140.0
121.29071044921875	388.0
121.89204406738281	176.0
122.0387954711914	468.0
122.30770111083984	188.0
122.6954116821289	160.0
122.90272521972656	152.0
123.2433090209961	160.0
123.61866760253906	184.0
123.70941162109375	176.0
124.01451873779297	124.0
124.14672088623047	128.0
124.1968994140625	144.0
124.4654312133789	148.0
124.9900131225586	200.0
125.33885955810547	192.0
125.37525177001953	144.0
125.4109115600586	208.0
125.82805633544922	176.0
125.90397644042969	184.0
126.12069702148438	104.0
126.52111053466797	172.0
126.70475006103516	180.0
126.77645111083984	160.0
126.85265350341797	156.0
126.92887878417969	148.0
128.0738525390625	144.0
128.23951721191406	144.0
128.9256134033203	236.0
129.76312255859375	292.0
129.97996520996094	220.0
130.4691925048828	144.0
130.83773803710938	160.0
131.3114013671875	188.0
131.78878784179688	156.0
132.02552795410156	140.0
132.04481506347656	228.0
132.18893432617188	156.0
132.70431518554688	148.0
132.9438934326172	180.0
133.04844665527344	152.0
133.1581573486328	128.0
133.30569458007812	140.0
133.40682983398438	148.0
133.6575164794922	164.0
133.9525909423828	96.0
134.04075622558594	1224.0
134.12733459472656	140.0
134.39483642578125	188.0
134.47792053222656	208.0
134.5305633544922	104.0
134.7504119873047	208.0
135.04173278808594	160.0
135.86166381835938	224.0
136.2214813232422	164.0
137.0613250732422	152.0
137.10098266601562	260.0
137.4180908203125	140.0
138.02304077148438	164.0
138.0833740234375	120.0
138.57861328125	132.0
138.66680908203125	268.0
138.68321228027344	160.0
138.86610412597656	152.0
139.16412353515625	152.0
139.31912231445312	200.0
139.43191528320312	156.0
139.98239135742188	196.0
140.04833984375	168.0
140.41844177246094	140.0
140.5909423828125	188.0
141.42250061035156	252.0
141.6806182861328	144.0
142.4919891357422	140.0
142.5228729248047	144.0
142.6511993408203	140.0
142.83526611328125	276.0
143.27708435058594	164.0
143.46534729003906	172.0
143.9091033935547	144.0
143.97357177734375	204.0
144.6382293701172	172.0
144.9232177734375	156.0
145.30442810058594	160.0
145.44512939453125	200.0
146.04067993164062	224.0
146.07513427734375	264.0
146.321044921875	140.0
146.70167541503906	300.0
147.03089904785156	136.0
147.12384033203125	140.0
147.19627380371094	268.0
147.2735595703125	288.0
147.46815490722656	164.0
147.51760864257812	200.0
147.65785217285156	144.0
148.01873779296875	652.0
148.0560302734375	3056.0
148.5006866455078	164.0
149.0597686767578	552.0
149.15347290039062	108.0
149.4261932373047	140.0
149.66676330566406	128.0
149.74395751953125	96.0
149.9326629638672	156.0
150.20330810546875	188.0
150.4098663330078	180.0
150.4768524169922	168.0
151.08761596679688	176.0
151.21485900878906	148.0
151.34214782714844	160.0
151.53318786621094	180.0
152.05303955078125	172.0
152.08863830566406	164.0
152.12913513183594	144.0
152.2690887451172	144.0
152.3894500732422	232.0
152.50003051757812	144.0
152.67721557617188	124.0
153.21630859375	236.0
153.2703094482422	144.0
153.3094940185547	208.0
153.56532287597656	160.0
153.97088623046875	184.0
154.0869903564453	156.0
154.62109375	140.0
154.8877716064453	96.0
155.0584259033203	288.0
155.45127868652344	152.0
155.9256134033203	148.0
156.09164428710938	188.0
156.3309783935547	176.0
156.7412872314453	160.0
157.41534423828125	164.0
157.5477294921875	144.0
157.830810546875	164.0
157.920166015625	368.0
158.03997802734375	180.0
158.20042419433594	172.0
158.30307006835938	164.0
158.3339080810547	116.0
158.55136108398438	108.0
158.74913024902344	144.0
158.9171905517578	176.0
159.11546325683594	236.0
159.48976135253906	188.0
159.79403686523438	152.0
159.84872436523438	180.0
159.88966369628906	160.0
159.97019958496094	140.0
160.01803588867188	108.0
160.05145263671875	180.0
160.47657775878906	164.0
160.7061004638672	172.0
160.84994506835938	144.0
161.05307006835938	372.0
161.08984375	148.0
161.50437927246094	152.0
161.79388427734375	168.0
162.0030517578125	204.0
162.03550720214844	5500.0
162.4416046142578	172.0
162.51771545410156	148.0
162.84518432617188	152.0
163.01284790039062	244.0
163.0373077392578	772.0
163.07130432128906	160.0
163.3270721435547	152.0
163.46803283691406	208.0
163.87928771972656	228.0
164.0461883544922	136.0
164.5793914794922	140.0
164.88082885742188	184.0
165.04698181152344	208.0
165.66122436523438	176.0
165.93800354003906	168.0
166.19447326660156	168.0
166.23297119140625	232.0
166.36386108398438	164.0
166.58213806152344	200.0
166.6206817626953	164.0
166.643798828125	180.0
166.66949462890625	208.0
166.8475341796875	176.0
167.01397705078125	164.0
167.06028747558594	144.0
167.1220245361328	236.0
167.51849365234375	140.0
167.69886779785156	156.0
167.87367248535156	204.0
167.94639587402344	184.0
168.75726318359375	176.0
169.0159149169922	192.0
169.12979125976562	144.0
169.3369140625	184.0
169.62193298339844	156.0
169.94351196289062	160.0
170.0654754638672	168.0
170.14854431152344	200.0
170.29747009277344	204.0
170.9915771484375	200.0
171.03237915039062	232.0
171.5038299560547	140.0
171.88719177246094	176.0
171.95423889160156	284.0
172.02291870117188	172.0
172.2605438232422	176.0
172.6787567138672	180.0
173.05108642578125	5008.0
173.32476806640625	180.0
173.41183471679688	164.0
173.59213256835938	204.0
174.05638122558594	888.0
174.77566528320312	128.0
174.95899963378906	160.0
175.04083251953125	428.0
175.06820678710938	2884.0
175.1591339111328	140.0
175.39955139160156	184.0
175.61659240722656	152.0
175.71536254882812	152.0
175.86314392089844	192.0
175.92913818359375	168.0
176.0526580810547	1320.0
176.09812927246094	208.0
176.54212951660156	156.0
176.61618041992188	208.0
177.0550994873047	172.0
177.0889129638672	204.0
177.1455841064453	164.0
177.5366973876953	148.0
177.68638610839844	196.0
177.86949157714844	180.0
178.05014038085938	168.0
178.21739196777344	156.0
178.2974090576172	176.0
178.58956909179688	144.0
178.73056030273438	152.0
179.0625	888.0
179.15121459960938	156.0
179.20716857910156	148.0
179.248046875	152.0
179.49502563476562	164.0
180.04959106445312	184.0
180.59799194335938	148.0
180.6381072998047	144.0
180.88429260253906	196.0
181.04920959472656	136.0
181.2827911376953	188.0
181.48707580566406	144.0
181.69090270996094	144.0
181.9002227783203	172.0
182.38909912109375	156.0
182.50933837890625	160.0
183.0132293701172	144.0
183.04966735839844	172.0
183.59796142578125	196.0
183.84075927734375	160.0
184.11341857910156	144.0
184.41497802734375	208.0
185.0510711669922	232.0
185.07508850097656	224.0
185.26025390625	144.0
185.31443786621094	228.0
185.4580535888672	176.0
185.60174560546875	144.0
185.97068786621094	236.0
186.03854370117188	204.0
186.05787658691406	164.0
186.0828857421875	144.0
186.26393127441406	200.0
186.51663208007812	140.0
186.9817352294922	140.0
187.03103637695312	704.0
187.0756378173828	168.0
187.16412353515625	148.0
187.67091369628906	196.0
187.76535034179688	172.0
188.01583862304688	164.0
188.05810546875	148.0
188.21116638183594	272.0
188.40585327148438	112.0
188.4925079345703	168.0
188.98194885253906	220.0
189.04652404785156	26016.0
189.7844696044922	152.0
189.94329833984375	96.0
190.0497283935547	2392.0
190.09848022460938	148.0
190.15411376953125	128.0
190.34487915039062	148.0
190.61451721191406	160.0
190.78106689453125	232.0
191.0594482421875	176.0
191.08633422851562	172.0
191.16998291015625	200.0
191.54055786132812	160.0
192.1751708984375	140.0
192.6715850830078	212.0
192.9728240966797	148.0
193.1249237060547	140.0
193.4320526123047	164.0
193.8391876220703	188.0
193.89373779296875	116.0
193.9483184814453	180.0
194.0590362548828	164.0
194.24951171875	176.0
194.49090576171875	148.0
194.7407989501953	156.0
194.9158172607422	144.0
195.92857360839844	152.0
196.01397705078125	196.0
198.04116821289062	128.0
198.11166381835938	196.0
198.45791625976562	228.0
198.9011688232422	140.0
199.49388122558594	148.0
199.54730224609375	144.0
200.03680419921875	152.0
200.0621337890625	176.0
200.99220275878906	192.0
201.04629516601562	10788.0
201.50701904296875	96.0
201.7175750732422	100.0
201.93917846679688	112.0
201.98802185058594	184.0
202.05137634277344	1364.0
202.07704162597656	2940.0
202.23158264160156	100.0
202.37437438964844	164.0
203.06201171875	14196.0
203.5603485107422	136.0
203.70379638671875	140.0
203.774658203125	112.0
204.06434631347656	1732.0
204.0994873046875	280.0
204.1819610595703	156.0
204.68067932128906	156.0
204.93421936035156	180.0
205.0636444091797	452.0
205.26124572753906	188.0
205.3439483642578	148.0
205.378173828125	176.0
205.53257751464844	164.0
205.76055908203125	252.0
206.41200256347656	156.0
207.0701904296875	168.0
207.36404418945312	164.0
207.41114807128906	172.0
207.6835479736328	168.0
208.49893188476562	140.0
209.15858459472656	184.0
209.1983184814453	204.0
209.2640838623047	144.0
209.3677520751953	180.0
209.39942932128906	152.0
209.76535034179688	172.0
210.7870330810547	152.0
211.2460174560547	180.0
211.51583862304688	144.0
211.6191864013672	240.0
212.07249450683594	152.0
212.1987762451172	204.0
212.68687438964844	192.0
212.7863311767578	168.0
213.0433349609375	212.0
213.53236389160156	140.0
213.6370849609375	144.0
213.9921417236328	140.0
214.05328369140625	148.0
214.21221923828125	188.0
214.49940490722656	160.0
214.6623077392578	176.0
214.83438110351562	148.0
215.02574157714844	3812.0
215.06304931640625	740.0
215.50001525878906	156.0
215.58767700195312	140.0
215.9121856689453	168.0
215.94435119628906	148.0
216.0261993408203	324.0
216.0576934814453	128.0
216.78598022460938	160.0
216.81973266601562	152.0
216.92645263671875	196.0
217.0419921875	109372.0
217.31944274902344	172.0
217.405517578125	140.0
217.43966674804688	188.0
217.61343383789062	104.0
217.64990234375	104.0
217.7350616455078	216.0
217.79673767089844	152.0
218.04513549804688	9408.0
218.30404663085938	104.0
218.5846405029297	316.0
218.6245880126953	132.0
218.70236206054688	160.0
218.9561004638672	132.0
219.0460205078125	964.0
219.38746643066406	124.0
219.43881225585938	152.0
219.5302276611328	216.0
219.57977294921875	104.0
219.60899353027344	156.0
219.64810180664062	136.0
220.06663513183594	152.0
220.13894653320312	176.0
220.3360137939453	176.0
220.4482879638672	144.0
220.52981567382812	96.0
220.974609375	164.0
221.0729522705078	120.0
221.44346618652344	144.0
221.81565856933594	196.0
221.86630249023438	144.0
222.0795440673828	164.0
222.14776611328125	156.0
222.29612731933594	180.0
222.38270568847656	160.0
222.97915649414062	208.0
223.4757537841797	228.0
223.7227783203125	180.0
224.27682495117188	188.0
224.41873168945312	160.0
225.45730590820312	136.0
225.68678283691406	188.0
225.77560424804688	156.0
226.2393798828125	172.0
226.49090576171875	176.0
226.71861267089844	168.0
227.0063934326172	164.0
228.0594482421875	328.0
228.24053955078125	184.0
228.67178344726562	228.0
229.04144287109375	40092.0
229.1543426513672	132.0
229.3755340576172	152.0
229.43504333496094	184.0
229.48104858398438	180.0
229.55384826660156	112.0
230.0447235107422	4048.0
230.07321166992188	13232.0
230.26515197753906	104.0
230.5919189453125	184.0
230.67340087890625	156.0
230.6925506591797	192.0
231.05714416503906	3548.0
231.5021209716797	148.0
231.6189727783203	160.0
231.6751708984375	140.0
231.75613403320312	104.0
232.0576629638672	304.0
232.41111755371094	152.0
232.810302734375	208.0
232.8459930419922	172.0
233.03741455078125	3072.0
233.43479919433594	96.0
233.5453338623047	120.0
234.0046844482422	172.0
234.0391845703125	508.0
234.693115234375	180.0
234.7480010986328	160.0
235.04937744140625	240.0
235.08050537109375	204.0
235.11102294921875	172.0
235.54559326171875	144.0
235.6820526123047	204.0
236.11001586914062	160.0
236.820068359375	144.0
236.85069274902344	156.0
236.921142578125	232.0
238.06214904785156	228.0
238.2617950439453	140.0
238.98121643066406	140.0
239.1073760986328	180.0
239.131591796875	120.0
239.19972229003906	168.0
239.25820922851562	148.0
239.28709411621094	156.0
240.05894470214844	172.0
240.4294891357422	144.0
240.46133422851562	152.0
240.9822235107422	200.0
241.0411376953125	4268.0
241.50157165527344	160.0
241.7490692138672	188.0
242.04595947265625	636.0
242.273193359375	144.0
242.59771728515625	140.0
242.84194946289062	136.0
242.95541381835938	152.0
243.86843872070312	164.0
244.09109497070312	144.0
244.14707946777344	152.0
244.31192016601562	152.0
244.5733184814453	144.0
244.8348388671875	140.0
245.38059997558594	132.0
245.7013702392578	172.0
245.85113525390625	184.0
246.3319549560547	160.0
246.50379943847656	240.0
246.8257598876953	208.0
246.86953735351562	184.0
247.05447387695312	436.0
247.90257263183594	164.0
248.1909637451172	196.0
249.59495544433594	168.0
249.67941284179688	148.0
249.87644958496094	156.0
251.34584045410156	160.0
251.5288848876953	172.0
251.70962524414062	144.0
251.929931640625	128.0
252.26173400878906	152.0
252.328125	168.0
252.52418518066406	168.0
253.59432983398438	168.0
253.66722106933594	140.0
253.6925811767578	344.0
254.21910095214844	200.0
255.0121307373047	192.0
255.32334899902344	180.0
255.5791015625	144.0
255.93177795410156	200.0
255.9635009765625	252.0
256.0493469238281	260.0
256.09417724609375	160.0
256.36529541015625	128.0
256.42681884765625	196.0
256.4835510253906	176.0
256.5249938964844	156.0
256.7035217285156	168.0
256.8665771484375	104.0
257.0583190917969	380.0
257.15972900390625	140.0
257.4363098144531	128.0
257.4573059082031	216.0
257.4867858886719	200.0
257.5437316894531	148.0
257.6401062011719	200.0
257.6817932128906	176.0
257.715087890625	124.0
257.77764892578125	140.0
257.8152770996094	160.0
257.8521423339844	180.0
257.8773498535156	212.0
257.9245910644531	172.0
257.95428466796875	180.0
258.06939697265625	190904.0
258.1869201660156	128.0
258.2967529296875	256.0
258.3406677246094	164.0
258.4128723144531	248.0
258.44000244140625	188.0
258.53619384765625	236.0
258.5951232910156	2700.0
258.63824462890625	188.0
258.6905822753906	112.0
258.7732849121094	116.0
258.866455078125	252.0
258.9233093261719	140.0
258.9519958496094	156.0
258.9748840332031	280.0
259.0711975097656	34272.0
259.24029541015625	144.0
259.29840087890625	144.0
259.3533935546875	140.0
259.4090270996094	96.0
259.4557189941406	120.0
259.4845886230469	180.0
259.5918273925781	176.0
259.7085876464844	120.0
259.7493896484375	104.0
259.78985595703125	236.0
259.87152099609375	108.0
260.07373046875	3216.0
260.2030944824219	164.0
260.3193359375	108.0
260.3929748535156	172.0
260.4328918457031	152.0
260.5677490234375	180.0
260.6172180175781	228.0
260.7682189941406	196.0
260.8285217285156	212.0
260.8721923828125	100.0
260.9089050292969	336.0
260.9764099121094	104.0
261.0567932128906	212.0
261.078125	268.0
261.137939453125	128.0
261.4396667480469	232.0
261.51226806640625	212.0
261.83245849609375	140.0
262.243408203125	308.0
262.3682556152344	256.0
262.4239196777344	260.0
262.4851989746094	156.0
262.6097717285156	108.0
262.9068908691406	208.0
263.01104736328125	212.0
263.0336608886719	152.0
263.60174560546875	124.0
263.63543701171875	228.0
264.04351806640625	168.0
266.5005798339844	128.0
267.2719421386719	152.0
267.721923828125	180.0
267.8228759765625	144.0
268.5600280761719	176.0
268.634521484375	152.0
268.7933044433594	176.0
269.4474792480469	152.0
269.6630554199219	212.0
269.7186279296875	168.0
270.0689392089844	180.0
270.2610168457031	184.0
271.2341613769531	252.0
271.45709228515625	248.0
271.54351806640625	192.0
272.1967468261719	148.0
272.6158752441406	264.0
272.8393859863281	160.0
273.3985595703125	212.0
274.40484619140625	104.0
274.48394775390625	236.0
274.53839111328125	212.0
274.77587890625	160.0
274.89166259765625	124.0
275.0057678222656	156.0
275.0426025390625	236.0
275.0735778808594	204.0
275.1827697753906	168.0
275.31536865234375	132.0
275.41259765625	240.0
275.4612121582031	152.0
275.5814514160156	200.0
275.64422607421875	200.0
275.7215576171875	188.0
275.8298645019531	144.0
275.9161682128906	188.0
275.9508361816406	140.0
275.97430419921875	432.0
276.0065002441406	188.0
276.0799560546875	210412.0
276.19012451171875	244.0
276.2177429199219	108.0
276.3146667480469	152.0
276.3897705078125	316.0
276.4234924316406	184.0
276.4687194824219	104.0
276.51873779296875	216.0
276.583740234375	156.0
276.623291015625	2892.0
276.7047424316406	168.0
276.74285888671875	116.0
276.7846984863281	148.0
276.8184814453125	112.0
276.90972900390625	140.0
276.96258544921875	252.0
277.00634765625	256.0
277.08209228515625	39544.0
277.1735534667969	160.0
277.21563720703125	300.0
277.2412109375	136.0
277.5380859375	208.0
277.7867126464844	104.0
277.9172058105469	96.0
277.9925537109375	96.0
278.0833740234375	5008.0
278.3674011230469	196.0
278.52362060546875	184.0
278.6589050292969	256.0
278.7445373535156	176.0
278.774169921875	176.0
278.82806396484375	172.0
278.8804016113281	124.0
278.9600524902344	224.0
278.9988098144531	100.0
279.04119873046875	120.0
279.08624267578125	368.0
279.1275329589844	184.0
279.1556701660156	156.0
279.20208740234375	160.0
279.2442932128906	184.0
279.37908935546875	152.0
279.52557373046875	120.0
279.7949523925781	112.0
279.87603759765625	184.0
280.054931640625	104.0
280.177490234375	112.0
280.231201171875	124.0
280.7064514160156	156.0
280.8018493652344	112.0
281.0471496582031	108.0
281.3862609863281	108.0
281.84136962890625	140.0
283.04754638671875	216.0
283.494384765625	208.0
283.9872131347656	140.0
284.08245849609375	112.0
285.79791259765625	144.0
286.6067810058594	172.0
288.0038757324219	156.0
288.039794921875	152.0
289.28759765625	160.0
297.7025146484375	192.0
297.79180908203125	148.0
298.5685119628906	152.0
298.8597717285156	132.0
299.4736633300781	224.0
299.74237060546875	144.0
300.1284484863281	164.0
301.54193115234375	232.0
301.6855163574219	180.0
301.7606201171875	144.0
301.8825988769531	168.0
302.1766052246094	148.0
302.2203674316406	160.0
302.28411865234375	104.0
302.6057434082031	144.0
302.67291259765625	204.0
302.82391357421875	204.0
302.8595886230469	120.0
302.91314697265625	100.0
302.9630126953125	228.0
303.04498291015625	128.0
303.083740234375	256.0
303.1260681152344	148.0
303.1621398925781	132.0
303.19146728515625	168.0
303.25091552734375	148.0
303.31488037109375	200.0
303.3644714355469	248.0
303.4371032714844	120.0
303.4822082519531	136.0
303.53607177734375	272.0
303.63238525390625	164.0
303.6661376953125	140.0
303.7130432128906	296.0
303.77008056640625	364.0
303.7928771972656	416.0
303.8182373046875	248.0
303.8598327636719	152.0
303.88983154296875	256.0
303.9289245605469	140.0
303.9530334472656	136.0
304.0256652832031	156.0
304.0675354003906	512.0
304.11187744140625	193292.0
304.2177734375	184.0
304.250732421875	164.0
304.2956237792969	112.0
304.3311767578125	328.0
304.3574523925781	168.0
304.423828125	176.0
304.4827575683594	320.0
304.522705078125	188.0
304.5733947753906	188.0
304.6396179199219	344.0
304.68310546875	6324.0
304.7265930175781	328.0
304.83319091796875	176.0
304.9268798828125	168.0
304.96282958984375	184.0
305.029296875	208.0
305.1135559082031	49700.0
305.2260437011719	292.0
305.295166015625	200.0
305.3260498046875	164.0
305.3634338378906	128.0
305.4527587890625	128.0
305.595703125	128.0
305.6227722167969	128.0
305.818359375	248.0
305.9083557128906	132.0
305.96600341796875	96.0
306.1149597167969	6332.0
306.270263671875	184.0
306.4220275878906	116.0
306.6335144042969	132.0
306.7073669433594	168.0
306.75616455078125	124.0
306.8094177246094	132.0
306.8470153808594	356.0
307.0184326171875	232.0
307.0505676269531	184.0
307.1153259277344	468.0
307.18157958984375	428.0
307.24090576171875	208.0
307.33258056640625	180.0
307.4113464355469	124.0
307.4864196777344	140.0
307.9320068359375	116.0
307.9779052734375	112.0
308.12646484375	112.0
308.204833984375	176.0
308.3054504394531	160.0
309.47930908203125	100.0
315.3981628417969	100.0
323.3236083984375	104.0
331.5893249511719	144.0
393.10601806640625	144.0
501.9457702636719	140.0
506.9154968261719	140.0
547.8471069335938	168.0
595.5588989257812	100.0
620.9987182617188	148.0
648.9521484375	156.0
848.562744140625	140.0
1241.449951171875	164.0
1242.010986328125	192.0
1280.952880859375	144.0
1299.1602783203125	152.0
1320.1197509765625	172.0
1388.5028076171875	148.0
1422.5872802734375	148.0
1636.691162109375	148.0
1758.037353515625	152.0
1760.5	156.0
1765.45556640625	140.0
1766.3087158203125	228.0
1769.1622314453125	152.0
1776.47802734375	140.0
1784.195556640625	160.0
1787.60205078125	220.0
1860.5743408203125	172.0
1862.55810546875	168.0
1878.4913330078125	168.0
1879.6214599609375	144.0
1885.0615234375	204.0
1892.613037109375	172.0
1929.5821533203125	260.0
1947.239013671875	196.0
1969.4696044921875	148.0
1970.5196533203125	184.0
1981.7838134765625	148.0
1987.3165283203125	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078916
PEPMASS=373.290649
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=FINASTERIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
INCHI=InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
INCHIAUX=DBEPLOCGEIEOCV-WSBQPABSSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078916
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078916
SCANS=1492
45.23632049560547	172.0
45.3220329284668	152.0
45.43465805053711	140.0
45.52861785888672	172.0
46.17552185058594	144.0
46.18498992919922	172.0
46.641944885253906	176.0
46.77933120727539	148.0
46.83380126953125	144.0
47.226898193359375	152.0
47.93806838989258	176.0
48.22393798828125	144.0
48.24586486816406	212.0
48.64067077636719	152.0
49.17655563354492	176.0
49.83333206176758	204.0
50.27548599243164	168.0
50.34324645996094	140.0
50.92816925048828	204.0
51.20267105102539	236.0
51.88712692260742	144.0
52.05500411987305	192.0
52.6483154296875	224.0
52.88252639770508	164.0
54.23906707763672	204.0
54.35740280151367	168.0
55.02859878540039	172.0
55.345008850097656	168.0
55.549530029296875	180.0
56.49100112915039	180.0
56.771087646484375	160.0
56.8445930480957	216.0
57.270057678222656	140.0
57.4675407409668	148.0
57.57471466064453	172.0
57.90592575073242	152.0
57.98470687866211	168.0
58.201637268066406	168.0
58.40119934082031	216.0
58.42505645751953	144.0
59.4257698059082	144.0
61.59162902832031	180.0
61.95297622680664	140.0
61.96394348144531	172.0
62.01408767700195	180.0
62.504241943359375	144.0
62.88859558105469	172.0
63.051273345947266	152.0
63.18409729003906	180.0
63.28855514526367	196.0
63.31547546386719	184.0
63.40419387817383	176.0
63.48187255859375	152.0
63.89484786987305	156.0
63.97467041015625	128.0
64.227783203125	260.0
64.34747314453125	264.0
65.24626159667969	180.0
66.51276397705078	160.0
66.62643432617188	152.0
67.38433837890625	160.0
67.44120788574219	164.0
67.86848449707031	164.0
67.89144134521484	180.0
68.2938232421875	160.0
68.66439819335938	156.0
68.94010162353516	176.0
69.37042999267578	208.0
69.41353607177734	184.0
69.51306915283203	188.0
69.62761688232422	160.0
69.8553237915039	188.0
70.0151138305664	144.0
70.48554229736328	164.0
70.87709045410156	160.0
72.29158782958984	156.0
72.5422592163086	144.0
72.94116973876953	176.0
74.07936096191406	140.0
74.606201171875	144.0
76.47266387939453	200.0
76.61544799804688	148.0
78.21073913574219	256.0
78.23538208007812	192.0
78.52788543701172	176.0
79.10922241210938	152.0
80.01078796386719	128.0
80.05379486083984	140.0
80.59963989257812	140.0
80.76124572753906	152.0
81.33711242675781	148.0
81.4362564086914	140.0
81.64948272705078	156.0
82.11659240722656	192.0
82.49939727783203	180.0
82.78346252441406	160.0
82.90483093261719	144.0
83.04443359375	140.0
83.3530502319336	172.0
83.85623931884766	152.0
84.62869262695312	204.0
85.77626037597656	292.0
86.6318359375	156.0
87.02687072753906	152.0
87.124755859375	108.0
87.94090270996094	184.0
88.45305633544922	184.0
89.06621551513672	148.0
89.82479095458984	148.0
89.89837646484375	264.0
89.96632385253906	160.0
90.04751586914062	180.0
90.14197540283203	160.0
90.28375244140625	156.0
90.51461791992188	184.0
90.96585083007812	168.0
90.98270416259766	164.0
91.05257415771484	200.0
91.59716796875	164.0
92.03388977050781	156.0
92.24786376953125	148.0
92.49271392822266	216.0
92.67655944824219	152.0
92.95075988769531	156.0
92.96611022949219	168.0
93.06855773925781	272.0
93.12545776367188	172.0
93.30416107177734	144.0
93.49266815185547	192.0
93.69483947753906	160.0
93.7138442993164	144.0
94.12688446044922	148.0
94.24664306640625	180.0
95.08789825439453	652.0
95.16278076171875	164.0
96.04502868652344	148.0
96.866943359375	140.0
97.10248565673828	184.0
98.06246185302734	452.0
98.09149932861328	140.0
98.16641998291016	152.0
98.49600982666016	224.0
98.55449676513672	192.0
98.57701873779297	144.0
98.99639129638672	184.0
99.38094329833984	144.0
99.57349395751953	176.0
99.59136962890625	192.0
100.07062530517578	164.0
100.15824890136719	164.0
100.2319564819336	196.0
100.78267669677734	156.0
101.13664245605469	168.0
101.43109130859375	192.0
101.46088409423828	148.0
101.54537200927734	212.0
101.60956573486328	144.0
101.70588684082031	180.0
101.78820037841797	224.0
102.06951904296875	168.0
102.39976501464844	192.0
102.47811126708984	140.0
103.56494903564453	224.0
103.76151275634766	204.0
103.90956115722656	156.0
104.04678344726562	156.0
104.5394515991211	160.0
104.85307312011719	184.0
104.91422271728516	152.0
105.07062530517578	460.0
105.53487396240234	140.0
106.0855941772461	200.0
106.28864288330078	160.0
106.32557678222656	140.0
106.37278747558594	152.0
106.62336730957031	144.0
106.70970153808594	168.0
107.0852279663086	484.0
107.5357437133789	140.0
107.74058532714844	144.0
107.93724060058594	172.0
108.04511260986328	864.0
108.09229278564453	156.0
108.1847915649414	164.0
108.33596801757812	176.0
108.43128204345703	232.0
108.92716979980469	164.0
109.05935668945312	352.0
109.0767822265625	168.0
109.10352325439453	872.0
109.24729919433594	144.0
110.05976867675781	1532.0
110.1510238647461	148.0
110.42582702636719	140.0
110.95770263671875	140.0
111.06104278564453	172.0
111.08087158203125	576.0
111.75159454345703	140.0
111.89260864257812	156.0
112.07584381103516	144.0
112.09481048583984	180.0
112.48287200927734	184.0
112.9561996459961	224.0
113.07482147216797	128.0
113.32244873046875	156.0
113.7572021484375	188.0
113.91434478759766	188.0
114.03490447998047	184.0
114.29915618896484	144.0
114.59725189208984	228.0
114.81893920898438	140.0
115.4747543334961	116.0
115.823486328125	156.0
115.85347747802734	160.0
115.91561126708984	152.0
115.95204162597656	164.0
116.0099105834961	212.0
116.18576049804688	148.0
116.22223663330078	148.0
116.29305267333984	172.0
116.62834167480469	192.0
116.97228240966797	152.0
117.06775665283203	208.0
117.76361083984375	160.0
118.0661849975586	160.0
118.77947998046875	168.0
119.08568572998047	1120.0
119.30644226074219	164.0
119.39776611328125	156.0
119.53826904296875	116.0
119.73727416992188	204.0
119.75475311279297	144.0
120.08380126953125	160.0
120.10124969482422	188.0
120.15129852294922	144.0
120.23448181152344	120.0
120.80461883544922	168.0
120.87681579589844	180.0
121.06671142578125	236.0
121.10152435302734	780.0
121.3302001953125	144.0
121.42668151855469	144.0
121.73831176757812	192.0
121.78443145751953	196.0
122.05921936035156	520.0
122.73006439208984	188.0
123.07978057861328	284.0
123.44173431396484	168.0
123.56117248535156	160.0
123.95307159423828	168.0
124.07559204101562	272.0
125.07461547851562	172.0
125.406494140625	164.0
125.67186737060547	176.0
126.04698181152344	180.0
126.09136962890625	648.0
126.46742248535156	200.0
126.58159637451172	148.0
126.61518859863281	156.0
126.85800170898438	152.0
127.07695770263672	140.0
127.17120361328125	220.0
127.305908203125	176.0
127.41596984863281	184.0
128.0615692138672	296.0
128.08447265625	116.0
128.20574951171875	184.0
129.06903076171875	300.0
129.47085571289062	192.0
129.57278442382812	156.0
129.8833465576172	156.0
130.02401733398438	148.0
130.3987579345703	152.0
130.63978576660156	148.0
130.70001220703125	144.0
131.00401306152344	112.0
131.04273986816406	144.0
131.08517456054688	640.0
131.1863250732422	156.0
131.32997131347656	148.0
131.3851318359375	180.0
131.43263244628906	144.0
131.74998474121094	228.0
131.93052673339844	140.0
132.04568481445312	140.0
132.08934020996094	128.0
132.4128875732422	168.0
132.45455932617188	140.0
132.8052520751953	288.0
133.0553741455078	144.0
133.10220336914062	972.0
133.18856811523438	200.0
133.34249877929688	236.0
133.811767578125	160.0
134.06085205078125	732.0
134.0994415283203	140.0
134.16424560546875	176.0
134.74581909179688	144.0
135.0796356201172	312.0
135.11717224121094	1344.0
135.17413330078125	200.0
135.432861328125	176.0
136.07501220703125	800.0
136.12701416015625	156.0
136.54385375976562	112.0
137.0078125	152.0
137.07464599609375	184.0
137.09097290039062	256.0
137.11500549316406	200.0
137.27053833007812	152.0
137.3038330078125	184.0
137.54415893554688	196.0
138.0904998779297	304.0
138.14871215820312	156.0
138.28041076660156	144.0
138.5614013671875	140.0
138.6129608154297	212.0
139.1313018798828	144.0
139.1899871826172	164.0
139.21347045898438	144.0
139.27870178222656	140.0
140.01304626464844	148.0
140.10658264160156	324.0
140.29107666015625	212.0
140.3172149658203	216.0
140.4878387451172	156.0
141.07125854492188	192.0
141.17413330078125	180.0
141.4840850830078	208.0
141.64749145507812	144.0
142.0679931640625	144.0
142.1050262451172	192.0
142.28065490722656	208.0
143.08697509765625	476.0
144.09304809570312	164.0
144.2149200439453	152.0
144.48512268066406	152.0
144.8849334716797	144.0
145.0597381591797	144.0
145.10092163085938	1300.0
145.70997619628906	168.0
145.87603759765625	160.0
145.98028564453125	132.0
146.0659942626953	340.0
146.10350036621094	536.0
146.1838836669922	184.0
146.80569458007812	192.0
147.07994079589844	428.0
147.1166229248047	1780.0
147.14561462402344	164.0
147.61802673339844	232.0
147.86837768554688	140.0
148.0762176513672	1492.0
148.1149444580078	524.0
148.28855895996094	196.0
148.92176818847656	156.0
149.08184814453125	300.0
149.12939453125	176.0
149.2337646484375	148.0
149.37271118164062	168.0
149.7792205810547	180.0
149.8455352783203	144.0
149.89639282226562	172.0
150.05563354492188	456.0
150.09303283691406	1740.0
150.13372802734375	316.0
150.51817321777344	152.0
151.00448608398438	196.0
151.08660888671875	160.0
151.11561584472656	140.0
151.34463500976562	180.0
151.36912536621094	200.0
151.62770080566406	176.0
151.65330505371094	148.0
152.10562133789062	272.0
152.35755920410156	152.0
152.46812438964844	144.0
152.79080200195312	160.0
153.0650634765625	128.0
153.1088104248047	104.0
153.29945373535156	148.0
153.36399841308594	192.0
153.5119171142578	172.0
153.78329467773438	204.0
153.98574829101562	216.0
154.11911010742188	284.0
154.1660919189453	160.0
154.83653259277344	164.0
155.0838165283203	536.0
155.1239471435547	164.0
155.29998779296875	160.0
155.4612579345703	152.0
155.74925231933594	224.0
155.88092041015625	148.0
155.91075134277344	168.0
156.09048461914062	420.0
156.68707275390625	184.0
156.7144775390625	148.0
156.9462890625	204.0
157.1001739501953	572.0
157.3055419921875	140.0
157.73768615722656	180.0
158.10281372070312	344.0
158.61334228515625	128.0
159.0823974609375	372.0
159.11705017089844	1216.0
159.3465576171875	176.0
159.41943359375	164.0
159.4521026611328	148.0
159.5775146484375	108.0
159.69346618652344	148.0
159.912353515625	164.0
160.0742645263672	432.0
160.11740112304688	748.0
160.19940185546875	180.0
160.33546447753906	172.0
160.59767150878906	168.0
160.8070831298828	220.0
160.8272705078125	160.0
161.0958709716797	724.0
161.13308715820312	1984.0
161.34259033203125	140.0
161.6486358642578	148.0
161.93589782714844	128.0
162.0932159423828	364.0
162.1346893310547	276.0
162.2894744873047	312.0
162.3427276611328	148.0
162.4178924560547	120.0
162.51014709472656	284.0
162.57386779785156	216.0
162.82237243652344	160.0
162.84776306152344	160.0
163.04339599609375	140.0
163.0913848876953	200.0
163.1123809814453	588.0
163.15113830566406	668.0
163.2298583984375	160.0
163.45281982421875	140.0
163.9264373779297	276.0
164.07266235351562	120.0
164.1099090576172	544.0
164.14566040039062	104.0
164.81698608398438	200.0
165.15699768066406	144.0
165.46408081054688	200.0
165.49998474121094	144.0
165.6920166015625	184.0
166.12266540527344	332.0
166.29837036132812	172.0
166.36904907226562	164.0
166.68753051757812	192.0
167.08340454101562	120.0
167.4335479736328	200.0
167.7174072265625	212.0
168.4626922607422	148.0
169.05995178222656	156.0
169.10116577148438	292.0
169.1427764892578	156.0
169.50018310546875	204.0
169.6453094482422	152.0
169.6997528076172	152.0
169.99154663085938	140.0
170.3667449951172	184.0
171.07928466796875	148.0
171.1208038330078	660.0
171.14488220214844	152.0
172.09568786621094	168.0
172.11727905273438	444.0
172.38861083984375	188.0
172.69505310058594	112.0
172.75204467773438	184.0
172.8723907470703	240.0
173.09466552734375	592.0
173.13265991210938	3684.0
173.383056640625	140.0
173.87872314453125	140.0
173.9390869140625	168.0
174.0919952392578	340.0
174.13575744628906	684.0
174.26736450195312	156.0
174.42503356933594	152.0
174.91265869140625	212.0
175.11056518554688	1296.0
175.1488494873047	4520.0
176.10726928710938	1820.0
176.15194702148438	824.0
176.26124572753906	176.0
176.4587860107422	208.0
176.50987243652344	112.0
176.7987823486328	156.0
177.08470153808594	232.0
177.11521911621094	648.0
177.16322326660156	936.0
177.54905700683594	136.0
177.57566833496094	164.0
177.6042022705078	140.0
177.659912109375	180.0
177.73153686523438	180.0
177.90296936035156	156.0
178.1233673095703	612.0
178.1616668701172	376.0
178.32374572753906	144.0
178.5576934814453	152.0
178.7386016845703	184.0
178.8025360107422	136.0
178.86102294921875	144.0
178.87965393066406	208.0
179.0848388671875	136.0
179.1277313232422	120.0
179.1645965576172	192.0
179.32980346679688	144.0
179.61276245117188	164.0
179.72447204589844	188.0
179.78851318359375	156.0
179.8125457763672	244.0
180.13597106933594	328.0
180.93252563476562	228.0
181.1011962890625	712.0
181.26483154296875	296.0
181.67486572265625	148.0
182.106689453125	288.0
182.397216796875	144.0
182.52088928222656	152.0
183.11776733398438	588.0
183.40048217773438	148.0
183.75987243652344	172.0
183.96226501464844	192.0
184.0561065673828	132.0
184.120361328125	312.0
184.21340942382812	144.0
184.54312133789062	172.0
184.6729278564453	184.0
184.71078491210938	144.0
184.88124084472656	144.0
185.09706115722656	616.0
185.13255310058594	2416.0
185.18798828125	200.0
185.54681396484375	128.0
185.6759796142578	156.0
186.10324096679688	208.0
186.13644409179688	504.0
186.61993408203125	168.0
186.9347686767578	172.0
186.98178100585938	148.0
187.11444091796875	268.0
187.1484375	2416.0
187.23770141601562	144.0
187.99830627441406	184.0
188.10604858398438	1080.0
188.15188598632812	148.0
188.47714233398438	192.0
189.0883026123047	104.0
189.11351013183594	144.0
189.16534423828125	2468.0
189.83935546875	144.0
189.86129760742188	160.0
189.921630859375	216.0
190.02313232421875	144.0
190.1230010986328	1004.0
190.1673583984375	440.0
190.30308532714844	172.0
190.39752197265625	164.0
190.53855895996094	136.0
190.98995971679688	148.0
191.06568908691406	504.0
191.13998413085938	720.0
191.17845153808594	288.0
191.30931091308594	140.0
191.52684020996094	140.0
191.61224365234375	156.0
191.65081787109375	272.0
191.86854553222656	152.0
192.0146942138672	176.0
192.1033172607422	144.0
192.13973999023438	632.0
192.45620727539062	140.0
192.73794555664062	172.0
192.9535369873047	152.0
193.16847229003906	160.0
193.2245635986328	188.0
193.26882934570312	160.0
193.64254760742188	152.0
193.8641815185547	252.0
194.1108856201172	196.0
194.20240783691406	160.0
194.34666442871094	144.0
194.3716278076172	256.0
194.52938842773438	200.0
194.67005920410156	132.0
195.0770721435547	244.0
195.1190948486328	520.0
195.1548309326172	136.0
195.38853454589844	208.0
196.1270751953125	168.0
196.20452880859375	176.0
196.23240661621094	148.0
196.34674072265625	172.0
196.67550659179688	124.0
197.13204956054688	864.0
197.1675262451172	176.0
197.59814453125	208.0
197.64010620117188	144.0
197.96481323242188	168.0
198.13998413085938	328.0
198.4019012451172	152.0
199.06407165527344	212.0
199.11322021484375	160.0
199.14903259277344	544.0
199.23223876953125	252.0
199.42929077148438	184.0
199.71888732910156	168.0
199.90548706054688	160.0
200.1090850830078	720.0
200.14501953125	248.0
200.8314666748047	164.0
201.09646606445312	252.0
201.12596130371094	716.0
201.16641235351562	576.0
201.41009521484375	164.0
201.84530639648438	140.0
202.11993408203125	564.0
202.1609649658203	136.0
202.4990234375	192.0
203.02110290527344	148.0
203.09140014648438	196.0
203.142822265625	1400.0
203.1786346435547	284.0
203.38648986816406	180.0
203.7073516845703	172.0
203.78121948242188	144.0
204.1409149169922	440.0
204.2815704345703	176.0
204.32708740234375	164.0
204.55760192871094	220.0
204.77398681640625	144.0
204.86514282226562	148.0
204.89077758789062	268.0
205.0006561279297	100.0
205.1495361328125	156.0
205.37574768066406	136.0
205.93699645996094	196.0
206.1166534423828	220.0
206.1707763671875	168.0
206.19436645507812	132.0
206.52931213378906	272.0
206.56649780273438	188.0
206.6952362060547	160.0
206.90704345703125	344.0
207.11993408203125	208.0
207.2306671142578	152.0
207.359619140625	144.0
207.5172882080078	140.0
207.5631561279297	180.0
207.74774169921875	124.0
208.12069702148438	308.0
208.17308044433594	116.0
208.53636169433594	200.0
208.8008575439453	148.0
209.09078979492188	128.0
209.13414001464844	484.0
209.16766357421875	172.0
209.6241912841797	164.0
209.6443634033203	172.0
209.7147674560547	132.0
210.0162811279297	212.0
210.07395935058594	148.0
210.1807098388672	148.0
210.59657287597656	148.0
210.8292236328125	152.0
211.14666748046875	640.0
212.11073303222656	164.0
212.14828491210938	264.0
212.73643493652344	148.0
213.1291046142578	464.0
213.16232299804688	1564.0
213.8670196533203	192.0
213.9863739013672	144.0
214.032958984375	200.0
214.12489318847656	396.0
214.16534423828125	428.0
214.41004943847656	196.0
214.6215362548828	148.0
214.78485107421875	164.0
214.9471893310547	124.0
215.1428680419922	1264.0
215.1807098388672	680.0
215.4237823486328	212.0
216.0731201171875	176.0
216.09783935546875	160.0
216.13926696777344	1820.0
216.3746795654297	100.0
217.1041717529297	152.0
217.14108276367188	264.0
217.44154357910156	152.0
217.4749298095703	140.0
217.826171875	148.0
217.93487548828125	164.0
218.11451721191406	160.0
218.15684509277344	516.0
218.83782958984375	144.0
219.1219024658203	116.0
219.1588134765625	188.0
220.17027282714844	2040.0
220.22677612304688	160.0
220.28289794921875	148.0
220.35552978515625	164.0
221.13771057128906	132.0
221.17025756835938	364.0
221.2872314453125	112.0
221.31878662109375	184.0
221.47792053222656	148.0
221.6023406982422	148.0
222.14047241210938	240.0
222.18234252929688	224.0
222.37693786621094	96.0
222.58514404296875	128.0
222.81436157226562	188.0
223.1164093017578	132.0
223.1494140625	544.0
223.2061004638672	200.0
223.2570343017578	160.0
223.5871124267578	100.0
223.9134063720703	176.0
224.115966796875	192.0
224.1696014404297	176.0
224.28285217285156	152.0
224.5303192138672	156.0
224.7122802734375	164.0
225.1221466064453	280.0
225.15887451171875	124.0
225.26754760742188	228.0
225.87435913085938	184.0
225.9012908935547	176.0
226.12376403808594	180.0
226.33226013183594	148.0
226.5718536376953	172.0
226.59283447265625	148.0
227.11080932617188	96.0
227.14419555664062	392.0
227.18026733398438	1280.0
227.2164306640625	148.0
228.05723571777344	204.0
228.1083221435547	160.0
228.1424102783203	172.0
228.18038940429688	344.0
228.348876953125	116.0
228.74002075195312	148.0
229.15982055664062	492.0
229.19503784179688	260.0
229.2640838623047	164.0
229.36656188964844	272.0
229.6198272705078	176.0
229.97364807128906	132.0
230.15411376953125	552.0
230.1885986328125	216.0
230.2203826904297	160.0
230.6494140625	196.0
230.6826629638672	144.0
230.8912811279297	144.0
231.16534423828125	296.0
231.19041442871094	164.0
232.1316375732422	144.0
232.17034912109375	3136.0
232.63047790527344	148.0
232.870361328125	140.0
233.1462860107422	180.0
233.17221069335938	620.0
233.32008361816406	160.0
234.03810119628906	140.0
234.18763732910156	172.0
234.22996520996094	148.0
234.40362548828125	172.0
234.62306213378906	256.0
235.14329528808594	136.0
235.37667846679688	140.0
235.5375213623047	204.0
235.7906951904297	124.0
235.9969482421875	140.0
236.1195526123047	168.0
236.36398315429688	144.0
236.5189208984375	160.0
236.63027954101562	144.0
236.68844604492188	240.0
236.72213745117188	168.0
236.8607177734375	112.0
237.12652587890625	156.0
237.16346740722656	2560.0
237.21255493164062	116.0
237.28591918945312	180.0
237.80125427246094	172.0
238.16773986816406	380.0
238.5845489501953	220.0
238.78440856933594	148.0
238.86746215820312	152.0
239.14523315429688	396.0
239.18028259277344	1096.0
239.22525024414062	108.0
239.50857543945312	128.0
240.1781463623047	132.0
240.23069763183594	220.0
240.34317016601562	188.0
240.39956665039062	172.0
240.7969512939453	148.0
241.12448120117188	184.0
241.15892028808594	1040.0
242.15750122070312	244.0
242.57919311523438	168.0
243.00096130371094	212.0
243.0556182861328	136.0
243.20286560058594	204.0
243.4168701171875	184.0
243.66224670410156	152.0
244.0352020263672	144.0
244.1378173828125	204.0
244.172119140625	460.0
244.2248992919922	172.0
244.2933349609375	148.0
244.79612731933594	132.0
245.1671600341797	152.0
245.21188354492188	168.0
245.2991485595703	148.0
245.43321228027344	192.0
246.0010223388672	140.0
246.07907104492188	180.0
246.14501953125	168.0
246.185546875	10216.0
246.33203125	160.0
246.36952209472656	292.0
246.552001953125	100.0
246.75704956054688	140.0
246.84146118164062	228.0
246.93397521972656	144.0
246.9732208251953	124.0
247.1490020751953	664.0
247.18894958496094	1836.0
247.24954223632812	152.0
247.38272094726562	180.0
247.60816955566406	144.0
248.11021423339844	160.0
248.15931701660156	136.0
248.18997192382812	284.0
248.35894775390625	140.0
248.4701690673828	148.0
249.197021484375	2436.0
249.33367919921875	140.0
249.46092224121094	148.0
249.68577575683594	156.0
249.83047485351562	180.0
250.1174774169922	136.0
250.20115661621094	492.0
250.4530487060547	128.0
250.64906311035156	172.0
250.99264526367188	188.0
251.1511993408203	176.0
251.21363830566406	172.0
251.2670440673828	140.0
251.3900909423828	240.0
251.80996704101562	168.0
252.12757873535156	108.0
252.37562561035156	140.0
252.77734375	156.0
252.90243530273438	136.0
253.08489990234375	120.0
253.1571044921875	244.0
253.30606079101562	168.0
253.3706512451172	124.0
253.40109252929688	168.0
253.537353515625	156.0
254.01611328125	184.0
254.11256408691406	148.0
254.15216064453125	456.0
254.1924591064453	680.0
254.50485229492188	176.0
255.0369110107422	168.0
255.17532348632812	3488.0
255.49107360839844	144.0
255.60293579101562	172.0
255.970703125	188.0
256.1700439453125	1904.0
256.20849609375	428.0
257.0257873535156	160.0
257.1866149902344	436.0
257.4024353027344	160.0
257.6655578613281	220.0
258.1431884765625	280.0
258.185791015625	1276.0
258.80792236328125	136.0
259.0367431640625	176.0
259.18804931640625	448.0
259.3236999511719	136.0
260.0157165527344	216.0
260.0941467285156	172.0
260.1911926269531	144.0
260.5894470214844	164.0
260.8387451171875	104.0
261.08447265625	168.0
261.717041015625	192.0
262.0213928222656	160.0
262.21771240234375	156.0
262.24993896484375	216.0
262.7110290527344	188.0
263.05633544921875	164.0
263.4987487792969	156.0
263.69586181640625	252.0
263.9480285644531	244.0
264.17413330078125	164.0
264.2816467285156	140.0
264.374267578125	172.0
264.9405212402344	160.0
265.1580810546875	884.0
265.8544921875	216.0
266.0896911621094	148.0
266.1575927734375	536.0
266.25738525390625	112.0
266.3689880371094	152.0
266.79144287109375	184.0
266.8835144042969	108.0
267.1231384277344	152.0
267.1663513183594	220.0
267.5168762207031	152.0
267.6528625488281	124.0
267.901123046875	168.0
268.2204895019531	156.0
268.43890380859375	176.0
268.6150207519531	196.0
269.4256896972656	168.0
269.6827697753906	144.0
270.18341064453125	256.0
270.5299377441406	152.0
270.6523742675781	172.0
271.2145690917969	152.0
271.4538879394531	172.0
271.8245544433594	168.0
272.1596984863281	156.0
272.200927734375	5412.0
272.3283386230469	124.0
272.6903076171875	192.0
273.0248107910156	136.0
273.0531921386719	232.0
273.1708679199219	180.0
273.20263671875	580.0
273.3492736816406	152.0
273.58953857421875	176.0
274.11260986328125	284.0
274.1375427246094	148.0
274.1817321777344	236.0
274.2153625488281	1124.0
274.34722900390625	192.0
274.9475402832031	140.0
275.2261047363281	356.0
275.27764892578125	212.0
275.3568420410156	184.0
275.5154724121094	164.0
275.91864013671875	180.0
276.0428161621094	128.0
276.2306823730469	224.0
276.46112060546875	192.0
276.5703125	144.0
277.1796875	212.0
277.358642578125	148.0
277.4349060058594	196.0
277.6521911621094	156.0
278.9619445800781	176.0
279.1315002441406	152.0
279.19134521484375	208.0
279.3841552734375	132.0
279.4508056640625	148.0
279.8501892089844	156.0
279.93011474609375	140.0
280.0733337402344	208.0
280.86419677734375	108.0
281.18359375	168.0
281.7378845214844	204.0
281.8414306640625	180.0
282.09210205078125	208.0
282.1856994628906	9248.0
282.8146057128906	176.0
282.951171875	164.0
283.0623474121094	140.0
283.18463134765625	2536.0
283.5413818359375	160.0
283.6520080566406	208.0
284.1655578613281	704.0
284.6394348144531	188.0
285.17279052734375	272.0
285.208251953125	132.0
285.5904541015625	104.0
286.1513977050781	176.0
286.2254638671875	172.0
286.4275207519531	144.0
287.1830749511719	128.0
287.83966064453125	124.0
287.925048828125	144.0
288.1919250488281	276.0
288.23309326171875	508.0
288.4386291503906	224.0
288.5501708984375	180.0
289.2278747558594	460.0
289.26666259765625	276.0
289.5179138183594	140.0
289.5416259765625	160.0
289.6025695800781	152.0
289.6296691894531	152.0
289.66668701171875	104.0
289.8905334472656	144.0
290.6446228027344	188.0
291.2473449707031	180.0
291.454833984375	156.0
291.8083190917969	168.0
292.0837707519531	204.0
292.1109924316406	156.0
292.14056396484375	116.0
292.26593017578125	200.0
292.8087463378906	172.0
293.20733642578125	140.0
294.3843078613281	148.0
294.7634582519531	172.0
294.9172668457031	228.0
295.0676574707031	152.0
295.36859130859375	164.0
295.5875549316406	176.0
295.61492919921875	196.0
295.9093017578125	152.0
296.1763916015625	144.0
296.3716735839844	148.0
296.5121765136719	156.0
297.3880615234375	168.0
298.1811828613281	260.0
298.3898010253906	212.0
298.5135803222656	200.0
298.61676025390625	200.0
298.8162841796875	148.0
298.8541259765625	144.0
298.8910827636719	172.0
299.1806335449219	156.0
299.2132873535156	984.0
299.79962158203125	108.0
300.0500793457031	132.0
300.1963806152344	11280.0
300.4009704589844	236.0
300.52728271484375	144.0
300.6908264160156	148.0
301.1996765136719	2424.0
301.23980712890625	96.0
301.32965087890625	148.0
301.3830871582031	140.0
301.4259338378906	156.0
301.4701232910156	108.0
301.6302795410156	148.0
301.84686279296875	132.0
302.0388488769531	216.0
302.2041931152344	620.0
302.3235168457031	128.0
303.1022033691406	156.0
303.2157287597656	184.0
303.379638671875	168.0
303.4210510253906	172.0
303.8049621582031	228.0
303.8674011230469	128.0
304.25421142578125	136.0
304.4019470214844	176.0
304.4353332519531	168.0
304.8778381347656	152.0
304.9209289550781	100.0
305.05859375	172.0
305.10552978515625	232.0
305.1646728515625	112.0
305.20819091796875	144.0
305.260009765625	60476.0
305.3374938964844	148.0
305.4082336425781	144.0
305.5176086425781	220.0
305.56097412109375	104.0
305.5869445800781	156.0
305.7762756347656	96.0
305.868408203125	224.0
305.9741516113281	144.0
306.0898742675781	256.0
306.2630310058594	8240.0
306.4675598144531	120.0
306.5743103027344	264.0
306.63677978515625	164.0
306.7171325683594	96.0
306.917724609375	176.0
307.2642822265625	1172.0
307.4230651855469	160.0
307.75146484375	136.0
308.1986999511719	152.0
308.26763916015625	148.0
308.4455261230469	108.0
308.7798767089844	112.0
308.8582763671875	140.0
309.48699951171875	124.0
309.9447021484375	152.0
310.1745300292969	228.0
312.4761962890625	180.0
312.79290771484375	140.0
312.8905944824219	232.0
312.94781494140625	160.0
313.59600830078125	144.0
313.91680908203125	188.0
313.9873352050781	156.0
314.1748046875	120.0
314.8166809082031	144.0
315.05877685546875	112.0
315.121337890625	140.0
315.20184326171875	228.0
315.366455078125	156.0
315.3925476074219	144.0
315.6711120605469	156.0
315.7207946777344	232.0
315.9147644042969	128.0
316.0970458984375	268.0
316.12982177734375	172.0
316.1827087402344	212.0
316.2211608886719	180.0
316.3899230957031	244.0
316.42120361328125	172.0
316.5664367675781	300.0
316.714111328125	136.0
316.7760925292969	220.0
316.9390563964844	184.0
316.99102783203125	184.0
317.0543518066406	344.0
317.131103515625	360.0
317.22412109375	235444.0
317.3257751464844	188.0
317.37371826171875	160.0
317.46893310546875	168.0
317.5417785644531	164.0
317.5800476074219	224.0
317.65008544921875	200.0
317.6994323730469	160.0
317.7319030761719	184.0
317.76873779296875	172.0
317.8049011230469	436.0
317.8955078125	156.0
317.9439392089844	168.0
317.9921875	160.0
318.01617431640625	144.0
318.1076354980469	196.0
318.1651916503906	208.0
318.226318359375	39896.0
318.3858642578125	156.0
318.4202880859375	184.0
318.4725646972656	332.0
318.7025146484375	228.0
318.7633361816406	172.0
318.81231689453125	228.0
319.024169921875	172.0
319.2298889160156	4268.0
319.2701721191406	304.0
319.5641174316406	160.0
319.6474914550781	208.0
319.78607177734375	176.0
319.8281555175781	168.0
319.94036865234375	292.0
320.01708984375	140.0
320.2276916503906	524.0
320.2701110839844	172.0
320.3560485839844	240.0
320.4057922363281	196.0
320.43133544921875	112.0
320.4429626464844	252.0
320.4546813964844	244.0
320.5063781738281	144.0
320.5529479980469	96.0
320.6191711425781	96.0
320.89141845703125	140.0
320.9964294433594	196.0
321.13665771484375	124.0
321.2212829589844	96.0
321.4216003417969	156.0
321.46820068359375	120.0
321.7655944824219	164.0
321.9473876953125	124.0
322.16912841796875	204.0
322.313720703125	148.0
322.4620666503906	208.0
323.20660400390625	120.0
323.2774658203125	144.0
323.3275451660156	156.0
323.3812255859375	144.0
323.74066162109375	132.0
323.83953857421875	164.0
324.5215759277344	108.0
325.9165954589844	152.0
326.4629821777344	176.0
327.03143310546875	164.0
327.17901611328125	144.0
327.809326171875	168.0
327.960693359375	152.0
328.0883483886719	204.0
328.23028564453125	128.0
328.56390380859375	128.0
328.7252502441406	180.0
328.8217468261719	136.0
329.0464782714844	156.0
329.2161865234375	152.0
329.261474609375	104.0
329.349365234375	128.0
329.5119323730469	160.0
330.38726806640625	156.0
331.0163269042969	140.0
331.2073059082031	120.0
331.2742004394531	580.0
331.36993408203125	124.0
332.21673583984375	200.0
332.2729797363281	332.0
333.1097106933594	140.0
333.3204345703125	144.0
334.07080078125	124.0
334.1967468261719	140.0
334.4352722167969	204.0
334.65020751953125	108.0
335.2636413574219	164.0
335.3940124511719	172.0
336.17486572265625	128.0
336.57562255859375	176.0
336.7010192871094	156.0
337.4939880371094	168.0
338.676025390625	164.0
338.8115539550781	168.0
339.3063049316406	188.0
339.4456481933594	176.0
339.8381042480469	140.0
340.2051086425781	208.0
340.2328796386719	156.0
340.5000915527344	96.0
340.6825256347656	156.0
341.2815856933594	264.0
341.559326171875	320.0
342.36181640625	148.0
342.7417907714844	140.0
343.0450439453125	152.0
343.08978271484375	116.0
343.19305419921875	132.0
343.6092834472656	216.0
343.74212646484375	140.0
343.9856872558594	216.0
344.0447692871094	140.0
344.2256774902344	144.0
344.9458923339844	144.0
345.2909240722656	220.0
345.4786071777344	192.0
345.65252685546875	180.0
345.8079528808594	148.0
346.14111328125	176.0
346.3090515136719	140.0
346.4892883300781	144.0
346.54486083984375	180.0
346.7560729980469	216.0
346.80426025390625	144.0
347.0503845214844	152.0
347.802001953125	200.0
348.4576721191406	164.0
348.55963134765625	160.0
350.29705810546875	148.0
350.5355224609375	124.0
351.0667724609375	156.0
351.1894836425781	112.0
351.376220703125	160.0
351.5274353027344	216.0
352.8496398925781	164.0
353.32086181640625	140.0
353.3769836425781	164.0
353.6052551269531	164.0
354.4285583496094	108.0
355.27337646484375	1596.0
356.1961364746094	140.0
356.27593994140625	500.0
356.53802490234375	264.0
356.5793762207031	140.0
357.06396484375	116.0
357.256591796875	1344.0
357.3519287109375	160.0
357.4142150878906	220.0
357.50726318359375	184.0
357.6560363769531	156.0
357.88470458984375	180.0
357.9901428222656	232.0
358.0918273925781	184.0
358.2594909667969	408.0
358.3557434082031	132.0
358.5401611328125	188.0
358.5703125	156.0
359.2567443847656	156.0
360.79962158203125	180.0
360.9296569824219	144.0
360.9804992675781	132.0
361.3297424316406	100.0
361.6484375	148.0
362.7408752441406	132.0
363.0578308105469	160.0
363.5168151855469	160.0
363.9371643066406	148.0
364.09765625	168.0
364.58392333984375	140.0
365.1579895019531	160.0
365.22265625	140.0
365.3459167480469	268.0
365.57855224609375	184.0
366.177978515625	172.0
366.2722473144531	184.0
367.93963623046875	160.0
368.2145690917969	140.0
368.6347961425781	176.0
368.8168029785156	180.0
368.9405822753906	252.0
369.0383605957031	200.0
369.13555908203125	288.0
369.1737976074219	156.0
369.5104064941406	160.0
369.6805419921875	136.0
369.72576904296875	112.0
369.8749084472656	104.0
369.9708557128906	152.0
370.07818603515625	136.0
370.1476135253906	116.0
370.18914794921875	104.0
370.3150634765625	96.0
370.39178466796875	168.0
370.57049560546875	108.0
370.670654296875	160.0
370.7072448730469	200.0
370.8112487792969	128.0
370.9080505371094	180.0
370.97113037109375	132.0
371.12646484375	144.0
371.17486572265625	184.0
371.2196960449219	260.0
371.2950134277344	120.0
371.33367919921875	164.0
371.40020751953125	172.0
371.447509765625	116.0
371.4703369140625	192.0
371.5277099609375	128.0
371.56793212890625	312.0
371.61749267578125	120.0
371.6463928222656	300.0
371.6866760253906	192.0
371.7277526855469	180.0
371.7947998046875	232.0
371.85760498046875	128.0
371.8936767578125	308.0
371.94464111328125	188.0
371.9933776855469	232.0
372.0899353027344	352.0
372.149169921875	156.0
372.1621398925781	128.0
372.17291259765625	392.0
372.2230224609375	120.0
372.2731628417969	276.0
372.33819580078125	208.0
372.3647155761719	224.0
372.43310546875	216.0
372.4687194824219	224.0
372.4908447265625	568.0
372.5452575683594	128.0
372.5722961425781	368.0
372.5989990234375	144.0
372.64434814453125	184.0
372.7585754394531	216.0
372.85101318359375	684.0
372.8979187011719	548.0
372.9687805175781	676.0
373.04278564453125	492.0
373.0912170410156	788.0
373.13909912109375	676.0
373.2876281738281	321184.0
373.42486572265625	364.0
373.5057373046875	128.0
373.5368347167969	224.0
373.57598876953125	352.0
373.64849853515625	1084.0
373.7162170410156	616.0
373.7660217285156	788.0
373.8720397949219	1124.0
373.9249267578125	9420.0
373.96453857421875	1052.0
374.0566711425781	324.0
374.12579345703125	288.0
374.13665771484375	288.0
374.2303771972656	920.0
374.2899169921875	168756.0
374.4914245605469	260.0
374.5338134765625	408.0
374.5733337402344	484.0
374.6032409667969	268.0
374.6443176269531	188.0
374.67645263671875	264.0
374.7968444824219	112.0
374.86260986328125	192.0
374.92254638671875	1388.0
374.96746826171875	260.0
375.0185546875	108.0
375.0413818359375	244.0
375.08026123046875	116.0
375.1251525878906	244.0
375.1761474609375	356.0
375.21185302734375	344.0
375.2919921875	23064.0
375.3673095703125	108.0
375.4261474609375	132.0
375.46881103515625	180.0
375.4963073730469	188.0
375.5235595703125	192.0
375.6082763671875	232.0
375.7092590332031	156.0
375.7832336425781	172.0
375.8120422363281	264.0
375.95001220703125	136.0
376.0033264160156	192.0
376.0630187988281	208.0
376.1098327636719	120.0
376.1943359375	356.0
376.2275085449219	372.0
376.29302978515625	1376.0
376.3539123535156	340.0
376.3957214355469	184.0
376.4196472167969	404.0
376.4738464355469	428.0
376.511474609375	312.0
376.5440673828125	200.0
376.57952880859375	280.0
376.611083984375	352.0
376.6824035644531	324.0
376.7181396484375	456.0
376.7300109863281	208.0
376.7468566894531	572.0
376.75836181640625	372.0
376.798583984375	388.0
376.857177734375	412.0
376.96502685546875	288.0
377.0633850097656	236.0
377.1009521484375	112.0
377.145263671875	152.0
377.2782287597656	132.0
377.3388671875	132.0
377.384033203125	112.0
377.41351318359375	160.0
377.47161865234375	188.0
377.69036865234375	176.0
377.735107421875	324.0
377.8111877441406	196.0
377.83917236328125	320.0
377.8919982910156	196.0
377.9394836425781	124.0
378.1109924316406	128.0
378.260986328125	168.0
378.5346374511719	124.0
378.89605712890625	144.0
378.9654846191406	100.0
379.0942077636719	124.0
379.2872314453125	112.0
379.6658935546875	100.0
381.4449768066406	100.0
382.7049865722656	96.0
385.7088928222656	104.0
386.9625549316406	200.0
387.30389404296875	144.0
387.58782958984375	100.0
387.7214660644531	140.0
387.77203369140625	124.0
387.81683349609375	104.0
388.251708984375	168.0
388.61102294921875	100.0
388.97186279296875	160.0
389.635498046875	132.0
389.8101806640625	140.0
389.9820861816406	124.0
390.51177978515625	120.0
391.29656982421875	172.0
391.6100158691406	104.0
392.29888916015625	112.0
393.85296630859375	140.0
394.40155029296875	140.0
395.2698974609375	112.0
400.8068542480469	148.0
414.3135681152344	268.0
415.3446044921875	164.0
416.0373840332031	104.0
443.04534912109375	140.0
453.1227722167969	144.0
472.48626708984375	104.0
497.96197509765625	140.0
516.3334350585938	148.0
537.600341796875	180.0
554.0206909179688	124.0
561.76904296875	104.0
635.804931640625	144.0
637.70263671875	96.0
651.6809692382812	128.0
710.928466796875	144.0
712.7923583984375	140.0
714.9537963867188	96.0
728.7044067382812	168.0
746.9142456054688	104.0
789.3824462890625	168.0
882.2332763671875	144.0
921.880859375	204.0
1016.40966796875	172.0
1093.051025390625	164.0
1124.576904296875	244.0
1136.146484375	192.0
1163.1055908203125	176.0
1170.652099609375	140.0
1207.0703125	172.0
1309.6986083984375	164.0
1318.125	160.0
1353.54296875	192.0
1405.284912109375	192.0
1434.721923828125	228.0
1442.4974365234375	152.0
1444.9476318359375	280.0
1452.1590576171875	144.0
1467.146484375	216.0
1495.319580078125	148.0
1505.02490234375	140.0
1513.3289794921875	184.0
1515.4488525390625	184.0
1561.0684814453125	148.0
1571.0950927734375	152.0
1595.749267578125	148.0
1596.4410400390625	160.0
1609.8687744140625	184.0
1641.2523193359375	164.0
1653.7496337890625	160.0
1661.5125732421875	160.0
1665.4171142578125	176.0
1686.6336669921875	124.0
1699.7874755859375	160.0
1699.959716796875	168.0
1714.7545166015625	172.0
1724.410888671875	184.0
1786.449951171875	156.0
1807.982421875	140.0
1813.6739501953125	164.0
1831.764404296875	180.0
1833.673095703125	192.0
1852.0084228515625	196.0
1857.906005859375	176.0
1860.059814453125	188.0
1883.057861328125	152.0
1908.578857421875	228.0
1924.0001220703125	216.0
1941.5350341796875	164.0
1941.596435546875	196.0
1951.43115234375	152.0
1953.00537109375	168.0
1955.196044921875	160.0
1957.6873779296875	208.0
1965.3916015625	164.0
1977.4364013671875	156.0
1986.7137451171875	156.0
1989.31396484375	176.0
1990.743408203125	160.0
1999.9627685546875	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078917
PEPMASS=323.187805
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1
INCHI=InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12?,14-/m1/s1
INCHIAUX=DWTTZBARDOXEAM-TYZXPVIJSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078917
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078917
SCANS=1409
45.509788513183594	224.0
45.629364013671875	172.0
47.295284271240234	208.0
48.15463638305664	156.0
49.16535949707031	200.0
49.3861083984375	140.0
52.15985107421875	240.0
53.23478698730469	156.0
53.58388137817383	192.0
53.81432342529297	200.0
54.5277214050293	228.0
58.030147552490234	200.0
60.35760498046875	208.0
60.96992874145508	168.0
61.988975524902344	212.0
62.00464630126953	196.0
63.872535705566406	140.0
64.7359848022461	160.0
66.70602416992188	168.0
66.84101104736328	176.0
66.86054229736328	204.0
66.92565155029297	144.0
68.25431060791016	148.0
68.50282287597656	152.0
69.38697052001953	212.0
69.5478744506836	160.0
71.44453430175781	156.0
73.86363220214844	164.0
75.68793487548828	144.0
76.61540222167969	144.0
77.22285461425781	180.0
77.35234069824219	172.0
78.08049011230469	224.0
78.13326263427734	216.0
78.38151550292969	140.0
78.69901275634766	152.0
78.83148956298828	160.0
79.51152801513672	144.0
81.52064514160156	208.0
83.07884216308594	140.0
83.89537811279297	172.0
84.02120971679688	152.0
85.27371215820312	256.0
86.448486328125	172.0
87.04216003417969	168.0
87.58658599853516	140.0
88.55410766601562	160.0
88.94598388671875	180.0
90.24020385742188	188.0
90.45208740234375	156.0
91.05271911621094	160.0
92.0357437133789	140.0
92.20002746582031	176.0
92.90465545654297	140.0
93.06970977783203	204.0
93.0898208618164	128.0
95.0489730834961	148.0
95.08748626708984	544.0
96.08914947509766	200.0
96.65968322753906	148.0
97.06712341308594	160.0
97.5638656616211	172.0
98.59474182128906	156.0
98.66392517089844	152.0
99.57939147949219	184.0
100.50906372070312	180.0
100.83856201171875	176.0
101.38693237304688	168.0
101.94080352783203	176.0
103.0536880493164	276.0
103.1238021850586	224.0
105.03242492675781	164.0
105.0697250366211	268.0
105.10179138183594	196.0
105.18546295166016	196.0
105.40194702148438	144.0
107.0484619140625	448.0
107.0858383178711	312.0
108.08848571777344	144.0
108.44157409667969	208.0
108.7091064453125	172.0
108.7383804321289	148.0
108.98111724853516	176.0
109.07054138183594	148.0
109.09989929199219	1308.0
109.19315338134766	140.0
109.607421875	168.0
110.1039047241211	148.0
110.22297668457031	192.0
110.7815933227539	152.0
111.04703521728516	320.0
111.07887268066406	268.0
111.1191177368164	180.0
111.40253448486328	164.0
112.04639434814453	148.0
113.32661437988281	180.0
114.15656280517578	180.0
114.48002624511719	168.0
114.79541015625	184.0
115.05290985107422	456.0
116.06343841552734	172.0
116.88826751708984	152.0
117.01095581054688	224.0
117.03636169433594	192.0
117.12939453125	168.0
117.32118225097656	192.0
117.4980239868164	172.0
118.7114486694336	172.0
119.04666137695312	164.0
119.09558868408203	156.0
119.20855712890625	192.0
119.66533660888672	156.0
120.05513763427734	148.0
120.77391815185547	164.0
121.02703857421875	468.0
121.06623840332031	496.0
121.10179138183594	380.0
122.1074447631836	156.0
122.47940826416016	140.0
123.0440444946289	6108.0
123.08810424804688	144.0
123.11601257324219	1724.0
124.04615020751953	940.0
124.1162109375	316.0
124.82091522216797	180.0
125.02334594726562	196.0
125.058349609375	176.0
125.09537506103516	952.0
125.12796783447266	176.0
125.71864318847656	236.0
126.09830474853516	188.0
126.27268981933594	172.0
126.65318298339844	152.0
127.11053466796875	208.0
128.06373596191406	160.0
128.77420043945312	152.0
129.0689697265625	156.0
129.14035034179688	164.0
129.24893188476562	148.0
130.04437255859375	180.0
131.0485382080078	324.0
131.06771850585938	160.0
131.08367919921875	248.0
132.057861328125	172.0
132.08822631835938	172.0
132.53924560546875	140.0
132.79598999023438	148.0
132.96347045898438	228.0
133.03004455566406	164.0
133.06619262695312	408.0
134.7388153076172	188.0
135.04493713378906	488.0
135.0802001953125	428.0
135.11790466308594	180.0
135.2799530029297	204.0
136.0867462158203	216.0
137.05929565429688	884.0
137.13121032714844	504.0
137.3737335205078	172.0
138.06509399414062	204.0
138.12977600097656	140.0
139.03843688964844	480.0
139.1131591796875	652.0
139.19459533691406	164.0
141.07000732421875	460.0
142.0740966796875	168.0
142.55609130859375	248.0
143.04360961914062	184.0
143.0831756591797	356.0
143.10366821289062	156.0
143.79446411132812	140.0
144.05455017089844	164.0
145.0631561279297	156.0
145.10772705078125	164.0
145.99375915527344	172.0
146.10316467285156	212.0
147.04531860351562	888.0
147.08038330078125	236.0
148.0526885986328	636.0
148.17581176757812	152.0
148.7287139892578	148.0
149.0238800048828	3612.0
149.05955505371094	6540.0
149.1312713623047	220.0
149.41641235351562	180.0
149.8668212890625	168.0
150.02455139160156	200.0
150.06326293945312	972.0
151.0382843017578	468.0
151.07339477539062	308.0
151.15408325195312	168.0
152.0431671142578	168.0
152.8950653076172	220.0
153.0264129638672	156.0
153.0619659423828	208.0
153.31460571289062	140.0
154.29452514648438	204.0
155.086669921875	160.0
155.58277893066406	196.0
156.29110717773438	172.0
157.0659637451172	160.0
157.0944366455078	316.0
157.65261840820312	216.0
158.07022094726562	152.0
158.10525512695312	184.0
158.12777709960938	180.0
158.23492431640625	120.0
158.7440643310547	188.0
159.07839965820312	188.0
159.1154022216797	232.0
159.1329803466797	200.0
159.94497680664062	148.0
160.05152893066406	660.0
160.39837646484375	196.0
161.0591583251953	4760.0
161.09686279296875	696.0
162.06344604492188	452.0
162.59886169433594	216.0
162.72650146484375	168.0
162.86289978027344	260.0
163.03794860839844	1548.0
163.0753936767578	11960.0
163.25340270996094	136.0
164.04669189453125	416.0
164.07814025878906	952.0
165.01951599121094	148.0
165.0542755126953	944.0
165.08811950683594	436.0
165.45721435546875	100.0
165.63784790039062	120.0
166.05577087402344	160.0
166.09437561035156	196.0
166.9496307373047	164.0
167.03395080566406	9464.0
168.0377960205078	448.0
168.09596252441406	148.0
169.0404815673828	160.0
171.0869903564453	204.0
171.1289825439453	192.0
171.63934326171875	220.0
172.04373168945312	168.0
172.0872344970703	304.0
173.06057739257812	668.0
173.097412109375	312.0
174.06700134277344	464.0
175.0403594970703	2172.0
175.07521057128906	3492.0
175.1103973388672	232.0
175.5610809326172	144.0
176.01092529296875	144.0
176.04444885253906	400.0
176.07638549804688	540.0
176.90719604492188	256.0
177.0541534423828	4988.0
177.09136962890625	3576.0
177.15347290039062	144.0
177.17466735839844	188.0
177.6969451904297	212.0
178.0619659423828	484.0
178.09451293945312	252.0
178.45919799804688	180.0
178.95408630371094	200.0
179.03746032714844	484.0
179.06997680664062	972.0
179.10670471191406	320.0
180.07308959960938	160.0
181.0516357421875	888.0
181.0838623046875	252.0
181.71768188476562	160.0
182.04783630371094	144.0
183.07510375976562	164.0
184.04762268066406	140.0
184.08914184570312	132.0
185.06060791015625	360.0
185.10580444335938	140.0
185.13558959960938	156.0
185.92176818847656	152.0
186.0708465576172	300.0
186.10440063476562	188.0
187.076904296875	1004.0
187.1137237548828	164.0
188.07395935058594	316.0
188.8642578125	140.0
189.05422973632812	5352.0
189.091552734375	4424.0
189.246337890625	104.0
190.05914306640625	764.0
190.09613037109375	704.0
190.8359832763672	172.0
190.90748596191406	180.0
191.07066345214844	1764.0
191.10670471191406	1852.0
191.22889709472656	144.0
191.36911010742188	120.0
191.6451873779297	152.0
191.84085083007812	196.0
192.080078125	256.0
192.11111450195312	176.0
193.0494842529297	2008.0
193.08763122558594	200.0
193.11932373046875	152.0
194.04971313476562	436.0
194.7046356201172	140.0
195.06460571289062	500.0
195.0936279296875	140.0
195.11865234375	228.0
196.13192749023438	140.0
197.06959533691406	176.0
197.19813537597656	140.0
198.06710815429688	404.0
198.104736328125	144.0
199.0739288330078	720.0
199.1059112548828	360.0
199.14901733398438	164.0
200.08261108398438	308.0
201.09249877929688	560.0
201.12625122070312	100.0
201.6403350830078	164.0
202.062744140625	152.0
202.0926971435547	544.0
203.0718231201172	1216.0
203.10618591308594	1580.0
204.07777404785156	124.0
204.11158752441406	388.0
205.0853271484375	904.0
205.12147521972656	272.0
205.2697296142578	248.0
206.08773803710938	152.0
207.06552124023438	4436.0
207.10142517089844	2764.0
207.1388702392578	148.0
207.32510375976562	140.0
208.0708465576172	544.0
208.11087036132812	484.0
208.8438720703125	176.0
209.08143615722656	816.0
209.14598083496094	160.0
209.7185821533203	120.0
210.0886993408203	284.0
210.11134338378906	160.0
210.70028686523438	164.0
211.0758514404297	136.0
211.25244140625	140.0
213.0963592529297	940.0
213.17172241210938	140.0
214.0923309326172	408.0
214.16387939453125	140.0
215.10325622558594	472.0
216.08424377441406	212.0
217.08428955078125	1260.0
217.1190185546875	144.0
217.15809631347656	416.0
218.0994110107422	120.0
218.1287078857422	408.0
218.8907012939453	144.0
219.10272216796875	184.0
220.14395141601562	176.0
220.64329528808594	164.0
221.08290100097656	1036.0
221.11575317382812	908.0
221.13882446289062	176.0
222.09046936035156	260.0
222.11634826660156	336.0
223.0953369140625	964.0
223.14512634277344	168.0
224.1021270751953	140.0
224.4735107421875	152.0
225.08949279785156	160.0
225.28533935546875	168.0
226.0955352783203	128.0
227.11058044433594	268.0
228.0958709716797	168.0
228.1269073486328	188.0
229.12525939941406	372.0
230.1003875732422	264.0
231.1000213623047	1128.0
231.1322784423828	328.0
231.18359375	368.0
232.10498046875	300.0
232.13882446289062	140.0
232.1752166748047	152.0
232.80599975585938	140.0
233.1171417236328	128.0
235.0972137451172	720.0
235.13270568847656	232.0
235.17251586914062	176.0
236.10081481933594	492.0
237.11019897460938	360.0
237.35935974121094	168.0
238.118408203125	208.0
238.36309814453125	188.0
239.11346435546875	176.0
240.11045837402344	384.0
241.1230010986328	244.0
241.15187072753906	160.0
242.89842224121094	168.0
243.1373291015625	168.0
243.1728515625	304.0
244.174560546875	168.0
245.11827087402344	272.0
245.15562438964844	136.0
246.12181091308594	184.0
246.16009521484375	172.0
249.1126251220703	456.0
251.12493896484375	156.0
251.97091674804688	172.0
253.09371948242188	216.0
253.61009216308594	144.0
254.12962341308594	164.0
259.16949462890625	3532.0
260.173095703125	1076.0
261.1288146972656	148.0
261.185546875	6388.0
262.19085693359375	828.0
262.8856201171875	100.0
263.09490966796875	148.0
263.1265869140625	172.0
263.18865966796875	312.0
264.1689453125	168.0
264.20013427734375	288.0
264.255126953125	272.0
264.27777099609375	196.0
264.8345947265625	172.0
266.0941467285156	284.0
267.096923828125	140.0
269.15234375	5124.0
269.70220947265625	180.0
270.1563415527344	1092.0
271.17694091796875	940.0
272.179931640625	120.0
275.1632385253906	180.0
276.1604309082031	168.0
277.179931640625	8632.0
277.259033203125	184.0
277.67132568359375	120.0
278.18505859375	1620.0
279.1962585449219	580.0
279.2809753417969	204.0
280.20428466796875	168.0
281.1266784667969	212.0
282.1320495605469	148.0
286.7153625488281	124.0
287.1642150878906	23716.0
287.4725036621094	220.0
287.68060302734375	116.0
288.16815185546875	4180.0
289.1706237792969	664.0
290.3446350097656	192.0
294.0842590332031	404.0
295.1061706542969	192.0
303.1702575683594	160.0
303.82867431640625	188.0
304.31024169921875	132.0
304.5185241699219	108.0
304.5962219238281	196.0
304.6413879394531	164.0
304.8898620605469	104.0
304.9896545410156	144.0
305.0201416015625	244.0
305.0648193359375	160.0
305.10687255859375	332.0
305.1754150390625	43704.0
305.3385925292969	112.0
305.4964599609375	144.0
305.60247802734375	112.0
305.80743408203125	132.0
305.85418701171875	212.0
306.0304260253906	140.0
306.178466796875	7364.0
306.2867431640625	152.0
306.3936462402344	108.0
306.50970458984375	224.0
306.6107482910156	160.0
306.74407958984375	120.0
307.1784362792969	1188.0
307.529052734375	120.0
307.6114807128906	96.0
307.82220458984375	128.0
308.18499755859375	204.0
308.2804870605469	112.0
308.41949462890625	132.0
314.1564636230469	200.0
323.182373046875	312.0
323.92169189453125	140.0
324.1346130371094	536.0
324.228515625	172.0
880.2002563476562	148.0
1345.8353271484375	156.0
1348.0777587890625	208.0
1413.780029296875	212.0
1425.90673828125	240.0
1442.602294921875	140.0
1500.988525390625	144.0
1568.499755859375	152.0
1642.840087890625	164.0
1668.0975341796875	164.0
1692.5484619140625	152.0
1707.237060546875	176.0
1737.1778564453125	144.0
1754.0333251953125	180.0
1778.76171875	164.0
1815.40234375	160.0
1829.4810791015625	224.0
1840.25732421875	176.0
1841.435791015625	148.0
1851.3306884765625	184.0
1854.6890869140625	160.0
1859.380615234375	160.0
1862.5316162109375	140.0
1889.4879150390625	168.0
1895.41015625	192.0
1900.5345458984375	160.0
1905.5791015625	172.0
1923.3006591796875	220.0
1931.7415771484375	144.0
1936.3543701171875	160.0
1942.2706298828125	168.0
1959.130615234375	140.0
1974.232666015625	200.0
1985.896484375	144.0
2000.9229736328125	188.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078918
PEPMASS=299.106018
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=AMLEXANOX [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(=O)O
INCHI=InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)
INCHIAUX=SGRYPYWGNKJSDL-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078918
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078918
SCANS=1459
47.655921936035156	172.0
48.79897689819336	208.0
51.911434173583984	176.0
52.392940521240234	280.0
54.586483001708984	156.0
54.938499450683594	160.0
59.12841033935547	208.0
61.96542739868164	196.0
61.99833297729492	144.0
62.60945129394531	160.0
64.4783706665039	140.0
64.77117156982422	184.0
66.4574966430664	156.0
66.6929702758789	152.0
67.21247863769531	188.0
67.81593322753906	152.0
68.23123931884766	140.0
68.62638092041016	140.0
70.0716552734375	216.0
70.4886474609375	240.0
70.7229232788086	140.0
72.95636749267578	200.0
73.32232666015625	196.0
74.54937744140625	152.0
76.149169921875	236.0
77.9767074584961	148.0
80.60846710205078	156.0
81.3499526977539	260.0
82.00109100341797	156.0
82.45771026611328	192.0
83.6421127319336	156.0
84.80012512207031	188.0
86.28295135498047	208.0
87.48223876953125	140.0
87.922119140625	168.0
90.58267974853516	152.0
94.41082000732422	212.0
96.04226684570312	180.0
96.19641876220703	144.0
97.95146179199219	152.0
99.03388977050781	160.0
105.0690689086914	168.0
105.26705169677734	172.0
105.94405364990234	176.0
107.5541763305664	196.0
107.77721405029297	140.0
108.18257904052734	200.0
109.31581115722656	180.0
111.15470886230469	184.0
111.48649597167969	156.0
112.80802917480469	144.0
114.66101837158203	160.0
116.18345642089844	144.0
116.23280334472656	180.0
117.10992431640625	176.0
117.50440979003906	176.0
117.7072982788086	140.0
119.04554748535156	152.0
120.02257537841797	156.0
121.03460693359375	176.0
121.82600402832031	196.0
122.97321319580078	140.0
123.32218170166016	260.0
125.49771881103516	160.0
126.5075454711914	184.0
127.54388427734375	176.0
128.1132049560547	180.0
128.33631896972656	188.0
128.3723907470703	212.0
130.39404296875	148.0
130.4440460205078	168.0
132.00579833984375	180.0
133.92442321777344	180.0
134.79185485839844	188.0
137.8475799560547	164.0
140.63291931152344	176.0
142.12245178222656	192.0
142.8841094970703	184.0
143.65357971191406	144.0
146.17405700683594	168.0
147.04495239257812	168.0
147.11643981933594	140.0
147.41110229492188	184.0
148.0514678955078	192.0
151.1318359375	172.0
153.09524536132812	188.0
153.33668518066406	252.0
153.37118530273438	168.0
153.487060546875	148.0
154.06459045410156	168.0
155.05348205566406	152.0
155.08749389648438	136.0
155.28985595703125	144.0
158.0651092529297	156.0
158.29039001464844	156.0
158.42062377929688	164.0
159.29359436035156	164.0
159.8114776611328	144.0
159.89451599121094	252.0
160.16140747070312	208.0
161.0635986328125	176.0
161.52444458007812	148.0
161.67372131347656	152.0
161.848388671875	156.0
162.0706329345703	688.0
162.19546508789062	164.0
162.7891387939453	148.0
163.07373046875	444.0
163.52639770507812	156.0
164.28317260742188	148.0
165.05447387695312	156.0
166.058349609375	184.0
166.4407196044922	140.0
168.07777404785156	164.0
168.68470764160156	160.0
171.08245849609375	284.0
171.20663452148438	184.0
173.71580505371094	224.0
174.52207946777344	176.0
176.5022735595703	168.0
176.56309509277344	148.0
177.16128540039062	240.0
177.49258422851562	164.0
180.07656860351562	160.0
180.64862060546875	172.0
181.08021545410156	372.0
182.03427124023438	176.0
182.09710693359375	472.0
182.52870178222656	208.0
182.84378051757812	160.0
183.05189514160156	184.0
183.10154724121094	184.0
183.94313049316406	148.0
184.03488159179688	140.0
184.8485107421875	208.0
185.07420349121094	156.0
186.0504150390625	280.0
186.68228149414062	252.0
187.06651306152344	200.0
187.38998413085938	148.0
189.08847045898438	144.0
189.61705017089844	168.0
189.9707489013672	144.0
190.58023071289062	160.0
192.18821716308594	168.0
194.01358032226562	144.0
194.31033325195312	176.0
195.06846618652344	152.0
195.3103790283203	160.0
196.0396270751953	1216.0
196.61151123046875	140.0
197.042724609375	300.0
197.57269287109375	140.0
198.05776977539062	140.0
199.07907104492188	312.0
199.7495574951172	160.0
202.04295349121094	180.0
202.3826446533203	188.0
202.4591064453125	164.0
203.97702026367188	224.0
207.0937042236328	132.0
208.08795166015625	144.0
208.7833251953125	200.0
210.04444885253906	176.0
210.08616638183594	276.0
211.05316162109375	752.0
211.65625	160.0
211.9963836669922	144.0
212.10072326660156	184.0
213.06552124023438	2516.0
213.1600341796875	180.0
213.63394165039062	168.0
213.8842010498047	144.0
214.05111694335938	932.0
215.04879760742188	132.0
216.06112670898438	184.0
216.87518310546875	140.0
217.0050811767578	168.0
217.40309143066406	172.0
219.0377960205078	236.0
219.1644744873047	144.0
220.8974609375	144.0
221.01483154296875	184.0
221.0379638671875	244.0
221.66427612304688	168.0
221.7146453857422	148.0
222.05322265625	332.0
223.06248474121094	472.0
223.1126708984375	200.0
224.06370544433594	364.0
224.41073608398438	140.0
224.62545776367188	200.0
224.91787719726562	144.0
225.07318115234375	228.0
225.10365295410156	196.0
225.61053466796875	128.0
226.08607482910156	8996.0
226.87123107910156	152.0
227.0895538330078	844.0
227.3262481689453	164.0
227.4862060546875	156.0
227.88563537597656	212.0
227.90966796875	152.0
228.06292724609375	156.0
228.105712890625	172.0
228.61329650878906	152.0
229.10874938964844	168.0
229.37351989746094	156.0
231.708251953125	176.0
232.12954711914062	172.0
233.01889038085938	172.0
234.07736206054688	192.0
234.16567993164062	144.0
234.69287109375	184.0
236.49832153320312	188.0
236.99136352539062	208.0
237.0656280517578	632.0
237.2855987548828	204.0
237.86683654785156	204.0
238.08506774902344	3756.0
238.43667602539062	188.0
239.04371643066406	2252.0
239.08465576171875	536.0
239.29354858398438	100.0
240.05113220214844	484.0
240.0945281982422	396.0
241.05955505371094	344.0
242.06881713867188	480.0
242.33358764648438	140.0
243.16819763183594	196.0
243.88255310058594	148.0
243.9144287109375	140.0
244.09686279296875	4636.0
244.35012817382812	140.0
244.98597717285156	132.0
245.09896850585938	624.0
245.82278442382812	140.0
247.89291381835938	176.0
248.05877685546875	252.0
248.23458862304688	148.0
250.62982177734375	324.0
250.73065185546875	156.0
250.77162170410156	152.0
251.24461364746094	148.0
252.10975646972656	144.0
253.0238800048828	144.0
253.0587615966797	280.0
253.0973663330078	11444.0
253.1730499267578	180.0
253.9650115966797	244.0
254.09939575195312	1696.0
254.13949584960938	168.0
254.52627563476562	140.0
254.60032653808594	184.0
254.7998809814453	148.0
255.05194091796875	932.0
255.1054229736328	420.0
255.14947509765625	140.0
255.76341247558594	160.0
256.04510498046875	152.0
256.0969543457031	3524.0
256.41314697265625	176.0
257.05517578125	4472.0
257.0997314453125	512.0
257.8365478515625	196.0
258.0576477050781	348.0
260.0656433105469	160.0
261.98211669921875	220.0
262.5719909667969	212.0
263.0075378417969	156.0
263.08013916015625	1156.0
264.0841369628906	404.0
264.5850524902344	160.0
265.0593566894531	1208.0
265.9595031738281	148.0
266.0666809082031	2564.0
267.07794189453125	164.0
267.5555725097656	176.0
268.2918395996094	144.0
269.6954650878906	208.0
270.0665588378906	152.0
270.54595947265625	164.0
273.8657531738281	180.0
275.9480285644531	140.0
277.3350830078125	212.0
278.0283203125	160.0
278.9050598144531	144.0
279.0457458496094	196.0
279.8731384277344	164.0
280.0396423339844	256.0
280.1329040527344	96.0
280.7745361328125	140.0
280.8313293457031	176.0
281.03570556640625	340.0
281.0927429199219	53052.0
281.16107177734375	192.0
281.2105712890625	164.0
281.33599853515625	132.0
281.73455810546875	136.0
281.8338623046875	104.0
282.0321350097656	136.0
282.0953674316406	8260.0
283.09552001953125	960.0
283.4821472167969	100.0
283.8212585449219	128.0
284.07708740234375	420.0
284.2357482910156	96.0
284.4580383300781	116.0
284.6044006347656	212.0
285.057861328125	148.0
285.08056640625	360.0
286.0702209472656	156.0
286.64276123046875	188.0
287.4067687988281	128.0
295.3408203125	152.0
296.0732421875	164.0
297.1552734375	144.0
297.1941833496094	308.0
297.3382873535156	180.0
297.54766845703125	140.0
297.6534118652344	136.0
297.8583068847656	160.0
297.9067077636719	96.0
297.9494934082031	180.0
298.0726623535156	180.0
298.15069580078125	136.0
298.2705993652344	228.0
298.5254211425781	96.0
298.5740966796875	168.0
298.62353515625	168.0
298.67047119140625	164.0
298.7171630859375	128.0
298.8055419921875	188.0
298.85418701171875	120.0
298.9418640136719	220.0
298.99542236328125	288.0
299.04931640625	296.0
299.10467529296875	129136.0
299.20416259765625	336.0
299.2920837402344	204.0
299.45306396484375	188.0
299.529296875	132.0
299.6170654296875	160.0
299.6702575683594	1092.0
299.77838134765625	208.0
299.8304443359375	124.0
299.8901672363281	132.0
300.057861328125	292.0
300.1070251464844	23404.0
300.2985534667969	132.0
300.3611755371094	152.0
300.382568359375	260.0
300.49072265625	148.0
300.55279541015625	96.0
301.1101379394531	3412.0
301.2159118652344	168.0
301.2822265625	152.0
301.5863952636719	148.0
301.63665771484375	100.0
301.7630920410156	128.0
301.8233337402344	180.0
302.0306396484375	160.0
302.0771484375	104.0
302.112060546875	556.0
302.2146911621094	204.0
302.25054931640625	128.0
302.3072509765625	212.0
302.4156494140625	136.0
302.5105895996094	132.0
303.271484375	124.0
304.1950378417969	160.0
311.4822998046875	172.0
317.1025085449219	132.0
331.20855712890625	160.0
431.27667236328125	148.0
442.9383239746094	100.0
1044.50634765625	152.0
1138.4674072265625	184.0
1916.7235107421875	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078919
PEPMASS=425.214844
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=32.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=BENAZEPRIL HYDROCHLORIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CCc3ccccc3N(CC(=O)O)C2=O
INCHI=InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1
INCHIAUX=XPCFTKFZXHTYIP-PMACEKPBSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078919
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078919
SCANS=1184
44.972225189208984	172.0
45.0063362121582	200.0
45.17058563232422	160.0
45.24699783325195	192.0
45.408897399902344	132.0
45.7666015625	220.0
45.80026626586914	220.0
45.825862884521484	168.0
45.86359786987305	184.0
46.09572982788086	152.0
46.46808624267578	164.0
46.48029708862305	160.0
46.749359130859375	172.0
46.81061553955078	148.0
46.93870544433594	148.0
46.96461868286133	208.0
47.079261779785156	172.0
47.31718444824219	204.0
47.332244873046875	156.0
47.40484619140625	148.0
47.617488861083984	160.0
47.91841506958008	200.0
47.99041748046875	168.0
48.10273361206055	116.0
48.16568374633789	152.0
48.2375373840332	160.0
48.49915313720703	208.0
48.61426544189453	156.0
48.687843322753906	144.0
48.76508331298828	200.0
48.873023986816406	168.0
49.01475143432617	172.0
49.449066162109375	140.0
49.5470085144043	144.0
49.68027114868164	172.0
49.75605392456055	184.0
49.89710998535156	160.0
49.935916900634766	148.0
50.207733154296875	196.0
50.35309982299805	168.0
50.405494689941406	176.0
50.42374038696289	144.0
50.858558654785156	144.0
50.895469665527344	148.0
50.956546783447266	152.0
50.99065017700195	208.0
51.00628662109375	164.0
51.083072662353516	152.0
51.273868560791016	184.0
51.6222038269043	200.0
51.84695816040039	196.0
51.861289978027344	144.0
52.131103515625	148.0
52.39585494995117	184.0
52.42241668701172	136.0
52.917232513427734	152.0
53.04182052612305	148.0
53.088218688964844	156.0
53.1085205078125	144.0
53.136085510253906	184.0
53.32195281982422	152.0
53.489418029785156	148.0
53.62385940551758	180.0
53.7165412902832	172.0
53.84060287475586	152.0
54.55123519897461	196.0
54.59975814819336	160.0
54.62034606933594	140.0
54.88396453857422	160.0
55.028560638427734	164.0
55.19404602050781	144.0
55.41231918334961	140.0
55.542076110839844	164.0
55.848060607910156	148.0
56.0445671081543	144.0
56.207096099853516	148.0
56.38330841064453	160.0
56.480491638183594	156.0
56.640655517578125	156.0
56.66912078857422	156.0
56.8498649597168	156.0
57.07588195800781	204.0
57.271522521972656	152.0
57.34535217285156	188.0
57.484100341796875	216.0
58.01346969604492	164.0
58.225894927978516	160.0
58.26690673828125	228.0
58.349937438964844	96.0
58.41132736206055	152.0
58.48588562011719	100.0
58.520118713378906	148.0
58.5391731262207	168.0
58.605377197265625	224.0
58.947994232177734	164.0
59.10090637207031	176.0
59.36080551147461	184.0
59.53471374511719	156.0
59.605377197265625	156.0
59.893070220947266	224.0
60.099647521972656	140.0
60.11199188232422	208.0
60.23396301269531	188.0
60.53400421142578	160.0
60.57582092285156	164.0
60.606807708740234	164.0
60.62075424194336	180.0
60.69050598144531	140.0
60.75099182128906	176.0
60.85808181762695	156.0
61.47404479980469	140.0
61.59470748901367	156.0
61.77916717529297	160.0
61.841758728027344	172.0
62.2352409362793	180.0
62.39078140258789	168.0
62.50874328613281	160.0
62.59217071533203	196.0
62.91065216064453	140.0
63.305931091308594	168.0
63.623043060302734	188.0
63.67385482788086	156.0
63.69291687011719	144.0
63.73898696899414	140.0
63.78984451293945	164.0
63.8868522644043	180.0
63.943145751953125	216.0
63.98711395263672	176.0
64.07151794433594	156.0
64.20063018798828	176.0
64.35221862792969	172.0
64.59353637695312	156.0
64.6639404296875	156.0
64.74559020996094	224.0
64.8529281616211	176.0
65.2156753540039	168.0
65.30842590332031	208.0
65.51980590820312	200.0
65.8991928100586	160.0
65.92318725585938	148.0
66.16175842285156	168.0
66.25068664550781	176.0
66.43482971191406	180.0
66.7726821899414	196.0
66.89471435546875	160.0
66.94356536865234	148.0
67.0543441772461	156.0
67.19621276855469	160.0
67.24516296386719	184.0
67.53108978271484	268.0
67.54417419433594	140.0
67.61125183105469	172.0
67.68164825439453	164.0
67.73241424560547	148.0
67.87007904052734	156.0
67.92911529541016	160.0
68.18620300292969	224.0
68.23197937011719	180.0
68.37110137939453	160.0
68.64306640625	132.0
68.77655029296875	168.0
68.8167495727539	136.0
69.12525939941406	156.0
69.14884185791016	144.0
69.35546875	140.0
69.36872863769531	140.0
69.46490478515625	144.0
70.17192077636719	148.0
70.52392578125	160.0
70.77898406982422	148.0
70.86698913574219	160.0
71.29488372802734	188.0
71.4481201171875	176.0
71.95011138916016	172.0
72.16806030273438	152.0
72.27437591552734	148.0
72.3304672241211	232.0
72.60030364990234	228.0
72.69994354248047	164.0
72.82727813720703	168.0
73.10950469970703	152.0
73.28646850585938	164.0
73.44854736328125	196.0
73.66875457763672	164.0
73.81231689453125	144.0
73.8602066040039	140.0
74.16670227050781	180.0
74.25360870361328	192.0
74.33728790283203	164.0
74.57073211669922	192.0
74.77603912353516	172.0
74.89696502685547	168.0
74.99591827392578	140.0
75.2021484375	156.0
75.33165740966797	232.0
75.52698516845703	156.0
75.78492736816406	176.0
75.93077850341797	148.0
75.95829010009766	160.0
76.10407257080078	172.0
76.12490844726562	144.0
76.3525619506836	148.0
76.41170501708984	140.0
76.9320297241211	104.0
76.9928207397461	148.0
77.01660919189453	204.0
77.1319351196289	180.0
77.54851531982422	180.0
78.18604278564453	204.0
78.22476959228516	144.0
78.25117492675781	216.0
78.30223846435547	172.0
78.4253921508789	196.0
78.7696533203125	212.0
78.88274383544922	276.0
79.36251831054688	140.0
79.46539306640625	172.0
79.5008773803711	260.0
79.79396057128906	140.0
79.93091583251953	160.0
79.95938873291016	176.0
80.0341567993164	232.0
80.11868286132812	208.0
80.16879272460938	192.0
80.2140884399414	188.0
80.34249114990234	144.0
80.53404235839844	180.0
81.12039184570312	188.0
81.15445709228516	172.0
81.24951171875	156.0
81.33924102783203	184.0
81.46673583984375	160.0
81.57734680175781	152.0
81.61231231689453	148.0
81.79491424560547	144.0
81.8575210571289	176.0
81.95069122314453	208.0
82.1219482421875	148.0
82.17606353759766	160.0
82.30421447753906	156.0
82.43142700195312	160.0
82.59276580810547	168.0
82.67840576171875	168.0
82.77796936035156	140.0
83.02079772949219	160.0
83.23310852050781	152.0
83.24763488769531	164.0
83.30939483642578	156.0
83.32574462890625	156.0
83.45338439941406	208.0
83.46751403808594	180.0
83.50752258300781	164.0
83.64580535888672	212.0
83.7896728515625	144.0
83.89901733398438	212.0
84.31336212158203	180.0
84.41207885742188	152.0
84.8093490600586	156.0
85.11388397216797	148.0
85.28657531738281	148.0
85.3392333984375	112.0
85.37114715576172	176.0
85.59380340576172	152.0
85.65106964111328	172.0
85.94072723388672	132.0
86.03076934814453	140.0
86.15264892578125	220.0
86.2764663696289	192.0
86.60214233398438	160.0
87.18098449707031	156.0
87.19771575927734	160.0
87.22745513916016	188.0
87.31669616699219	156.0
87.5514144897461	168.0
87.60520935058594	160.0
87.66110229492188	196.0
87.76683044433594	128.0
87.92964935302734	172.0
87.94831085205078	184.0
88.14627075195312	168.0
88.17243957519531	156.0
88.3743896484375	140.0
88.660888671875	148.0
88.7040023803711	152.0
88.78087615966797	140.0
88.93347930908203	224.0
89.03985595703125	172.0
89.2935791015625	140.0
89.32179260253906	196.0
89.82588958740234	176.0
89.85302734375	148.0
89.88321685791016	152.0
90.13138580322266	140.0
90.19483184814453	140.0
90.32341003417969	144.0
90.53728485107422	164.0
90.86710357666016	148.0
91.0229721069336	144.0
91.0547103881836	2896.0
91.19296264648438	240.0
91.26615142822266	200.0
91.36486053466797	148.0
91.5133056640625	168.0
91.66568756103516	148.0
91.69236755371094	168.0
91.73429870605469	192.0
92.05805969238281	704.0
92.33958435058594	196.0
92.50796508789062	228.0
92.61270141601562	132.0
92.68799591064453	144.0
92.76213836669922	152.0
92.83943176269531	220.0
93.00827026367188	216.0
93.06509399414062	180.0
93.31672668457031	176.0
93.90103149414062	212.0
93.95310974121094	164.0
94.29875183105469	164.0
94.69731140136719	152.0
94.89109802246094	188.0
95.19378662109375	176.0
95.28701782226562	164.0
95.66429901123047	160.0
95.98280334472656	168.0
96.0208740234375	216.0
96.18331909179688	156.0
96.23228454589844	188.0
96.33122253417969	172.0
96.39374542236328	144.0
96.56578063964844	176.0
96.69099426269531	164.0
96.75113677978516	204.0
97.0359115600586	148.0
97.06319427490234	152.0
97.1318359375	204.0
97.25349426269531	200.0
97.40742492675781	344.0
97.52061462402344	168.0
97.57565307617188	176.0
97.72315979003906	204.0
97.81369018554688	140.0
97.93824768066406	108.0
98.06070709228516	184.0
98.11705780029297	228.0
98.13282775878906	160.0
98.52754974365234	344.0
98.66984558105469	200.0
98.80363464355469	228.0
99.0953598022461	156.0
99.41658782958984	148.0
99.61116027832031	144.0
100.0307388305664	164.0
100.10440826416016	152.0
100.39933776855469	148.0
100.48710632324219	232.0
100.57491302490234	144.0
100.64678192138672	248.0
100.6679458618164	100.0
101.23267364501953	144.0
101.39612579345703	196.0
101.41297912597656	208.0
101.53728485107422	228.0
101.56135559082031	148.0
101.66166687011719	152.0
102.46347045898438	120.0
102.49136352539062	176.0
102.79259490966797	176.0
102.84760284423828	172.0
102.91091918945312	156.0
103.0167007446289	184.0
103.04094696044922	144.0
103.2633056640625	156.0
103.36849975585938	232.0
103.4049301147461	180.0
103.5971450805664	168.0
103.63780212402344	168.0
103.95394897460938	176.0
103.98660278320312	240.0
104.10499572753906	180.0
104.48037719726562	212.0
104.6065444946289	152.0
104.77589416503906	124.0
104.83872985839844	168.0
104.92284393310547	200.0
104.95696258544922	144.0
104.99571228027344	168.0
105.07678985595703	96.0
105.17321014404297	156.0
105.42237854003906	216.0
106.06678771972656	436.0
106.33139038085938	120.0
106.47190856933594	180.0
106.52877807617188	144.0
106.60069274902344	144.0
106.86388397216797	164.0
106.99027252197266	120.0
107.09032440185547	172.0
107.11779022216797	156.0
107.19951629638672	156.0
107.3720474243164	208.0
107.59563446044922	160.0
108.00262451171875	140.0
108.0347900390625	348.0
108.11641693115234	184.0
108.25718688964844	244.0
108.35113525390625	112.0
108.3728256225586	184.0
108.61158752441406	180.0
108.74022674560547	200.0
108.79627227783203	148.0
108.83779907226562	140.0
109.02059173583984	176.0
109.07047271728516	176.0
109.60741424560547	204.0
109.84091186523438	156.0
110.0788345336914	144.0
110.2125244140625	140.0
110.24567413330078	180.0
110.29402923583984	164.0
110.42509460449219	140.0
110.58783721923828	136.0
110.78368377685547	144.0
110.94474029541016	164.0
111.02471923828125	144.0
111.05198669433594	148.0
111.14219665527344	248.0
111.20724487304688	160.0
111.40462493896484	144.0
111.4242172241211	124.0
111.8642349243164	112.0
112.39837646484375	172.0
112.55457305908203	180.0
112.624267578125	164.0
112.67073822021484	232.0
112.72392272949219	140.0
112.77217102050781	160.0
112.88844299316406	156.0
113.05979919433594	176.0
113.08332824707031	172.0
113.2333984375	172.0
113.70830535888672	144.0
114.1650619506836	156.0
114.19483947753906	172.0
114.38633728027344	152.0
114.90393829345703	172.0
115.02368927001953	188.0
115.05391693115234	796.0
115.31465911865234	176.0
115.46810913085938	212.0
115.80706024169922	184.0
115.89624786376953	232.0
116.06269073486328	324.0
116.15437316894531	256.0
116.20499420166016	172.0
116.30155944824219	152.0
116.52251434326172	112.0
116.63663482666016	156.0
116.71833038330078	216.0
116.85813903808594	160.0
117.0704574584961	14492.0
117.11603546142578	120.0
117.1436538696289	204.0
117.18109130859375	160.0
117.35604095458984	136.0
117.45545196533203	104.0
117.74625396728516	316.0
117.76136779785156	204.0
118.01636505126953	176.0
118.06608581542969	35964.0
118.19233703613281	112.0
118.29425048828125	144.0
118.50119018554688	188.0
118.74180603027344	156.0
118.9500961303711	156.0
118.97404479980469	128.0
119.068359375	2148.0
119.12855529785156	132.0
119.18464660644531	292.0
119.7219467163086	188.0
119.73936462402344	140.0
119.99213409423828	164.0
120.07966613769531	892.0
120.33248901367188	140.0
120.74259948730469	168.0
120.81765747070312	316.0
120.83734893798828	252.0
121.01606750488281	116.0
121.0616455078125	140.0
121.0826187133789	168.0
121.102783203125	204.0
121.12720489501953	148.0
121.1657485961914	152.0
121.19587707519531	128.0
121.23367309570312	196.0
121.34601593017578	128.0
121.54813385009766	180.0
121.7296142578125	160.0
121.92935943603516	140.0
122.10963439941406	196.0
122.20252990722656	104.0
122.56311798095703	188.0
122.83869934082031	188.0
122.89385223388672	148.0
122.96005249023438	192.0
123.03202056884766	116.0
123.11017608642578	164.0
123.60896301269531	144.0
123.84664916992188	160.0
123.9131088256836	168.0
124.0704574584961	144.0
124.11479949951172	172.0
124.18354797363281	268.0
124.20350646972656	284.0
124.51423645019531	168.0
124.55310821533203	168.0
124.78311157226562	180.0
124.8631591796875	152.0
124.88540649414062	140.0
124.99663543701172	176.0
125.0901107788086	192.0
125.12979888916016	116.0
125.23947143554688	160.0
125.28385162353516	152.0
125.60978698730469	132.0
125.81907653808594	152.0
125.86713409423828	168.0
125.8874740600586	196.0
126.15735626220703	180.0
126.18171691894531	276.0
126.38824462890625	140.0
126.448486328125	104.0
126.4951400756836	152.0
126.57118225097656	140.0
126.71141815185547	148.0
126.98190307617188	132.0
127.03855895996094	160.0
127.04637145996094	148.0
127.137451171875	188.0
127.19231414794922	180.0
127.23621368408203	152.0
127.39055633544922	132.0
127.53498077392578	212.0
127.65638732910156	160.0
127.86785125732422	188.0
128.05282592773438	388.0
128.3120574951172	200.0
128.5041046142578	284.0
129.0607452392578	192.0
129.1674346923828	168.0
129.23988342285156	140.0
129.3983154296875	140.0
129.56752014160156	156.0
129.8741912841797	220.0
129.92532348632812	100.0
129.94224548339844	240.0
129.966064453125	144.0
130.00013732910156	224.0
130.0658416748047	17160.0
130.11207580566406	192.0
130.3162078857422	112.0
130.3970184326172	160.0
130.60557556152344	148.0
130.74208068847656	220.0
130.99481201171875	140.0
131.0113525390625	140.0
131.07293701171875	13016.0
131.1276092529297	112.0
131.14976501464844	152.0
131.451904296875	140.0
131.4816131591797	112.0
131.56263732910156	156.0
131.65579223632812	160.0
131.75726318359375	108.0
131.81158447265625	148.0
131.86282348632812	144.0
132.04196166992188	140.0
132.08047485351562	5656.0
132.17868041992188	96.0
132.1980438232422	184.0
132.2689971923828	212.0
132.42239379882812	156.0
132.53709411621094	176.0
132.55625915527344	128.0
133.08648681640625	828.0
133.22523498535156	140.0
133.3292999267578	136.0
133.65745544433594	164.0
133.6965789794922	152.0
133.765625	248.0
134.03970336914062	188.0
134.07090759277344	236.0
134.09658813476562	3004.0
134.2336883544922	128.0
134.4580841064453	264.0
134.95858764648438	212.0
134.97805786132812	152.0
135.09829711914062	156.0
135.23158264160156	148.0
135.2799530029297	152.0
135.84019470214844	156.0
135.85769653320312	324.0
135.96835327148438	156.0
136.0763397216797	1176.0
136.11459350585938	144.0
136.3910675048828	148.0
136.42825317382812	176.0
136.70884704589844	132.0
137.07081604003906	168.0
137.22213745117188	212.0
137.33172607421875	152.0
137.39938354492188	180.0
137.45071411132812	152.0
137.55677795410156	116.0
137.91116333007812	120.0
138.0837860107422	352.0
138.19139099121094	228.0
138.24755859375	168.0
138.36143493652344	140.0
138.41844177246094	148.0
138.47694396972656	208.0
138.66091918945312	96.0
138.72256469726562	104.0
138.8602294921875	216.0
138.90673828125	148.0
139.0138397216797	160.0
139.13119506835938	176.0
139.1734619140625	148.0
139.38092041015625	148.0
139.4123077392578	112.0
139.45066833496094	164.0
139.5680389404297	176.0
139.57652282714844	164.0
139.65521240234375	164.0
139.77049255371094	140.0
140.0471954345703	164.0
140.11659240722656	160.0
140.34756469726562	184.0
140.67787170410156	152.0
140.71646118164062	208.0
140.94711303710938	168.0
141.09600830078125	156.0
141.15985107421875	208.0
141.64028930664062	140.0
141.685302734375	164.0
141.85800170898438	128.0
141.90042114257812	104.0
141.99581909179688	196.0
142.06704711914062	436.0
142.40579223632812	124.0
142.58935546875	216.0
142.8700714111328	136.0
143.07334899902344	1252.0
143.6263427734375	268.0
143.79446411132812	156.0
143.94422912597656	168.0
144.05494689941406	168.0
144.08209228515625	20140.0
144.2462615966797	128.0
144.41087341308594	164.0
144.662109375	152.0
144.7530975341797	188.0
144.77447509765625	128.0
144.85934448242188	132.0
144.9758758544922	164.0
145.0840301513672	3784.0
145.12327575683594	188.0
145.21669006347656	144.0
145.4363555908203	356.0
145.5083770751953	180.0
145.68948364257812	184.0
145.70692443847656	240.0
145.7317352294922	192.0
145.9144744873047	112.0
146.0601348876953	800.0
146.09715270996094	18016.0
146.1717529296875	164.0
146.2173309326172	96.0
146.38287353515625	136.0
146.48170471191406	136.0
146.63720703125	116.0
146.8607635498047	156.0
147.039306640625	140.0
147.06239318847656	184.0
147.10098266601562	2204.0
147.5513916015625	220.0
147.69407653808594	236.0
147.75367736816406	224.0
147.91616821289062	172.0
148.01287841796875	196.0
148.03530883789062	272.0
148.07208251953125	156.0
148.11402893066406	212.0
148.4699249267578	152.0
148.66802978515625	156.0
148.80152893066406	140.0
149.19036865234375	144.0
149.31666564941406	176.0
149.45533752441406	188.0
149.47479248046875	176.0
149.615966796875	184.0
150.02279663085938	176.0
150.11788940429688	164.0
150.36427307128906	152.0
150.576904296875	220.0
150.95791625976562	164.0
151.0576629638672	164.0
151.32005310058594	236.0
151.481689453125	144.0
151.52577209472656	200.0
151.6311492919922	140.0
152.0750732421875	264.0
152.46630859375	120.0
152.57864379882812	168.0
152.78521728515625	140.0
152.84918212890625	308.0
153.18154907226562	288.0
153.526611328125	144.0
153.65240478515625	212.0
154.0634002685547	144.0
154.1437530517578	148.0
154.2250213623047	136.0
154.31719970703125	212.0
154.3934326171875	164.0
154.82156372070312	156.0
155.0835723876953	136.0
155.26934814453125	192.0
155.38919067382812	140.0
155.49093627929688	212.0
155.6771240234375	156.0
155.70443725585938	304.0
155.77493286132812	180.0
155.85597229003906	144.0
156.08180236816406	680.0
156.11199951171875	196.0
156.2761688232422	152.0
156.63714599609375	144.0
156.7916259765625	144.0
157.07659912109375	108.0
157.20668029785156	116.0
157.35536193847656	208.0
157.64260864257812	168.0
157.66259765625	224.0
157.84544372558594	228.0
157.99681091308594	212.0
158.05697631835938	272.0
158.09130859375	424.0
158.62872314453125	148.0
158.90708923339844	152.0
159.06797790527344	180.0
159.09104919433594	344.0
159.1329803466797	188.0
159.42938232421875	144.0
159.8317108154297	160.0
159.92987060546875	164.0
159.98524475097656	144.0
160.0751953125	700.0
160.1118621826172	376.0
160.41712951660156	136.0
161.01870727539062	144.0
161.11251831054688	260.0
161.21676635742188	228.0
161.26412963867188	152.0
161.42845153808594	160.0
161.4873809814453	148.0
161.68142700195312	200.0
161.75498962402344	128.0
161.80972290039062	164.0
161.87274169921875	132.0
162.09144592285156	13988.0
162.41616821289062	140.0
162.49227905273438	164.0
162.65911865234375	104.0
162.8555450439453	144.0
162.99246215820312	160.0
163.09510803222656	1912.0
163.31277465820312	140.0
163.362060546875	108.0
163.5061492919922	148.0
163.75564575195312	140.0
163.93907165527344	140.0
163.958251953125	128.0
163.98239135742188	196.0
164.07139587402344	55164.0
164.25962829589844	128.0
164.42184448242188	104.0
164.46189880371094	228.0
164.5428009033203	104.0
164.62274169921875	172.0
164.7105255126953	172.0
164.72994995117188	160.0
164.7989959716797	168.0
164.83731079101562	260.0
164.89341735839844	164.0
165.0301513671875	108.0
165.07484436035156	3504.0
165.11085510253906	160.0
165.18426513671875	148.0
165.26025390625	148.0
165.86268615722656	204.0
165.895751953125	124.0
166.07797241210938	652.0
166.177490234375	128.0
166.228515625	152.0
166.31759643554688	144.0
166.34495544433594	108.0
166.37554931640625	160.0
166.40408325195312	156.0
166.56922912597656	144.0
166.64373779296875	140.0
166.88302612304688	160.0
167.42056274414062	140.0
167.5081329345703	160.0
168.07997131347656	348.0
168.3231201171875	140.0
168.3682098388672	232.0
168.5083770751953	148.0
168.57626342773438	148.0
168.67706298828125	156.0
168.82960510253906	148.0
169.03396606445312	176.0
169.07318115234375	176.0
169.25872802734375	140.0
169.401611328125	172.0
169.5431671142578	196.0
170.0109100341797	192.0
170.0599365234375	256.0
170.08238220214844	228.0
170.1417236328125	160.0
170.4607391357422	196.0
170.605712890625	140.0
170.66751098632812	136.0
171.09274291992188	900.0
171.5167999267578	184.0
171.7201690673828	168.0
172.0763397216797	4280.0
172.11251831054688	3048.0
172.25003051757812	172.0
172.66212463378906	120.0
172.6943817138672	148.0
173.0815887451172	632.0
173.11180114746094	928.0
173.1654815673828	180.0
173.21263122558594	188.0
173.27928161621094	100.0
174.0891876220703	304.0
174.1239013671875	216.0
174.35174560546875	152.0
174.5156707763672	116.0
174.78480529785156	152.0
174.88775634765625	104.0
175.0946502685547	288.0
175.1262664794922	160.0
175.35140991210938	156.0
175.58868408203125	144.0
175.65989685058594	116.0
175.72998046875	156.0
176.07070922851562	2180.0
176.69654846191406	196.0
176.80795288085938	164.0
177.07357788085938	128.0
177.25413513183594	200.0
177.34877014160156	124.0
177.62796020507812	152.0
177.9251708984375	144.0
178.01809692382812	156.0
178.08425903320312	588.0
178.34222412109375	200.0
178.5841827392578	176.0
178.67588806152344	100.0
178.93276977539062	172.0
179.07167053222656	200.0
179.18899536132812	192.0
179.32968139648438	144.0
179.7030029296875	216.0
179.85122680664062	104.0
179.9272003173828	140.0
180.1053924560547	152.0
180.20034790039062	116.0
180.23968505859375	168.0
180.379638671875	120.0
180.51153564453125	268.0
180.7410125732422	156.0
180.9993438720703	216.0
181.1318359375	144.0
181.26185607910156	188.0
181.48617553710938	104.0
181.52548217773438	168.0
181.8276824951172	272.0
182.03439331054688	164.0
182.10214233398438	196.0
182.3970947265625	180.0
182.6552276611328	188.0
183.08859252929688	512.0
183.411865234375	164.0
184.01718139648438	196.0
184.07733154296875	196.0
184.27584838867188	200.0
184.60789489746094	172.0
184.72418212890625	204.0
184.9217071533203	168.0
184.943359375	148.0
185.10528564453125	244.0
185.6206512451172	356.0
185.64234924316406	256.0
185.73068237304688	188.0
185.89190673828125	156.0
186.05685424804688	296.0
186.0795135498047	148.0
186.10092163085938	296.0
186.23117065429688	108.0
186.86105346679688	124.0
187.12765502929688	264.0
187.2609100341797	180.0
187.39828491210938	184.0
187.44187927246094	148.0
187.47457885742188	168.0
187.82083129882812	156.0
188.0704345703125	3536.0
188.1312713623047	168.0
188.1725311279297	192.0
188.2232208251953	144.0
188.3585662841797	208.0
188.3968048095703	240.0
188.496826171875	156.0
188.61756896972656	112.0
188.72390747070312	240.0
188.9620819091797	292.0
189.0283966064453	164.0
189.07501220703125	740.0
189.27597045898438	152.0
189.33950805664062	96.0
189.45550537109375	236.0
189.50340270996094	164.0
189.5240020751953	184.0
189.54592895507812	156.0
189.59524536132812	168.0
189.65145874023438	268.0
189.6844024658203	148.0
189.7189178466797	132.0
189.7429962158203	172.0
189.7763671875	156.0
189.8504180908203	312.0
189.92626953125	304.0
189.93765258789062	140.0
189.96665954589844	208.0
189.98316955566406	368.0
190.01271057128906	392.0
190.05313110351562	1316.0
190.088134765625	256436.0
190.1821746826172	160.0
190.2596893310547	152.0
190.281494140625	292.0
190.30642700195312	228.0
190.33865356445312	116.0
190.35906982421875	244.0
190.3875274658203	172.0
190.44552612304688	188.0
190.49746704101562	140.0
190.53860473632812	4340.0
190.58682250976562	96.0
190.70120239257812	164.0
190.7657012939453	180.0
190.8030548095703	196.0
190.85768127441406	252.0
190.88214111328125	324.0
190.9414825439453	136.0
190.9702606201172	104.0
191.04385375976562	144.0
191.0905303955078	40856.0
191.13824462890625	156.0
191.330810546875	224.0
191.36024475097656	124.0
191.4418182373047	188.0
191.4851837158203	112.0
191.67135620117188	120.0
191.7926483154297	132.0
191.90818786621094	132.0
191.94041442871094	108.0
192.03152465820312	244.0
192.05430603027344	264.0
192.0931854248047	3416.0
192.2040557861328	276.0
192.24671936035156	108.0
192.29534912109375	212.0
192.34947204589844	176.0
192.37840270996094	120.0
192.38970947265625	100.0
192.39930725097656	228.0
192.432861328125	156.0
192.48960876464844	276.0
192.5338592529297	140.0
192.5581512451172	112.0
192.59780883789062	264.0
192.6207275390625	368.0
192.670166015625	148.0
192.7183074951172	128.0
192.76930236816406	132.0
192.85194396972656	108.0
193.09469604492188	324.0
193.24612426757812	100.0
193.3494873046875	224.0
193.3975067138672	140.0
193.6219940185547	108.0
193.7610626220703	96.0
193.89453125	148.0
194.1811065673828	196.0
194.32571411132812	140.0
194.41673278808594	200.0
194.82994079589844	104.0
195.0130157470703	160.0
195.63609313964844	184.0
195.947998046875	208.0
196.10806274414062	128.0
196.548828125	188.0
196.72328186035156	228.0
196.88522338867188	140.0
197.10809326171875	572.0
197.2372589111328	172.0
197.55172729492188	140.0
198.08798217773438	184.0
198.1124267578125	256.0
198.27276611328125	160.0
198.30247497558594	132.0
198.351318359375	192.0
198.50550842285156	160.0
198.75515747070312	148.0
198.77481079101562	176.0
198.8253173828125	188.0
199.09201049804688	168.0
199.12103271484375	144.0
199.30142211914062	168.0
199.45361328125	176.0
199.9128875732422	212.0
200.07174682617188	1036.0
200.3098602294922	160.0
200.3825225830078	136.0
200.53695678710938	148.0
200.79867553710938	132.0
200.84486389160156	120.0
201.07310485839844	304.0
201.10279846191406	844.0
201.1360626220703	164.0
201.21792602539062	156.0
201.2433319091797	152.0
201.5992431640625	140.0
202.08767700195312	860.0
202.1938018798828	116.0
202.25538635253906	240.0
202.38844299316406	184.0
202.6309814453125	108.0
202.91270446777344	120.0
203.09117126464844	144.0
203.09889221191406	164.0
203.2220916748047	100.0
203.33941650390625	120.0
203.69017028808594	152.0
204.072021484375	152.0
204.14419555664062	112.0
204.35255432128906	148.0
204.47918701171875	192.0
204.94895935058594	128.0
205.1015167236328	296.0
206.0260772705078	164.0
206.0970001220703	184.0
206.44146728515625	168.0
207.10501098632812	152.0
207.36679077148438	136.0
207.41537475585938	152.0
207.55728149414062	160.0
207.62081909179688	128.0
208.10794067382812	140.0
208.132568359375	836.0
208.4398651123047	144.0
208.849609375	148.0
209.1226348876953	176.0
209.42237854003906	184.0
209.71051025390625	140.0
209.90196228027344	132.0
209.9815216064453	220.0
210.11709594726562	156.0
210.1492462158203	140.0
210.21531677246094	100.0
210.661376953125	164.0
211.07577514648438	144.0
211.14830017089844	152.0
211.65072631835938	148.0
211.6865692138672	172.0
211.86614990234375	148.0
211.96755981445312	164.0
212.29656982421875	136.0
212.60552978515625	200.0
212.7909698486328	140.0
213.40647888183594	152.0
213.44503784179688	208.0
214.00079345703125	172.0
214.23959350585938	232.0
214.26712036132812	144.0
214.46397399902344	176.0
215.11575317382812	124.0
215.1436309814453	172.0
215.26199340820312	116.0
215.5919189453125	184.0
216.06594848632812	436.0
216.09402465820312	224.0
216.1900177001953	224.0
216.53761291503906	120.0
216.67112731933594	116.0
216.91343688964844	184.0
217.09683227539062	1600.0
217.65048217773438	176.0
217.94354248046875	200.0
217.9838409423828	196.0
218.0807647705078	892.0
218.18161010742188	388.0
218.2110137939453	152.0
218.51393127441406	192.0
218.67578125	140.0
218.7022705078125	164.0
218.74937438964844	168.0
218.94671630859375	152.0
219.0811767578125	160.0
219.1134796142578	204.0
219.48590087890625	148.0
219.63720703125	168.0
219.7130126953125	196.0
219.95648193359375	128.0
220.08782958984375	272.0
220.3123016357422	148.0
220.60020446777344	128.0
220.93775939941406	176.0
221.04257202148438	276.0
221.1185302734375	248.0
221.1491241455078	148.0
221.41371154785156	216.0
222.12664794921875	688.0
222.62554931640625	152.0
222.7592010498047	152.0
222.89208984375	120.0
222.9404296875	156.0
223.02406311035156	116.0
223.17660522460938	136.0
223.23130798339844	184.0
223.30111694335938	148.0
223.32693481445312	168.0
223.40817260742188	128.0
223.45187377929688	172.0
223.797119140625	216.0
224.1212615966797	140.0
224.36318969726562	188.0
224.48245239257812	152.0
224.64454650878906	172.0
224.6822967529297	200.0
224.7837371826172	192.0
224.95086669921875	180.0
225.06045532226562	164.0
225.1013641357422	148.0
225.21363830566406	160.0
225.3271484375	244.0
225.46005249023438	132.0
225.55426025390625	148.0
225.9752197265625	136.0
226.60765075683594	152.0
226.8713836669922	192.0
227.09759521484375	128.0
227.12026977539062	192.0
227.23316955566406	208.0
227.57513427734375	112.0
227.8358612060547	208.0
228.09498596191406	268.0
228.2817840576172	156.0
228.54425048828125	148.0
228.59840393066406	148.0
229.0319366455078	144.0
229.09251403808594	256.0
230.44677734375	164.0
231.07342529296875	120.0
231.11326599121094	248.0
231.1553955078125	112.0
231.2632598876953	156.0
231.79930114746094	140.0
232.16610717773438	168.0
232.359619140625	160.0
232.64739990234375	204.0
232.81947326660156	160.0
232.9279022216797	144.0
233.091064453125	228.0
233.47361755371094	168.0
233.71530151367188	160.0
233.84007263183594	140.0
234.08602905273438	116.0
234.12913513183594	388.0
234.18411254882812	168.0
234.35813903808594	160.0
234.41259765625	164.0
234.4979248046875	164.0
234.5649871826172	144.0
234.64759826660156	204.0
234.89891052246094	148.0
235.10877990722656	6216.0
235.30323791503906	160.0
235.39483642578125	188.0
235.53616333007812	160.0
235.5628204345703	232.0
235.61474609375	228.0
235.93670654296875	156.0
236.11106872558594	776.0
236.14332580566406	564.0
236.25286865234375	104.0
236.28733825683594	152.0
236.39993286132812	112.0
236.8996124267578	300.0
236.9547576904297	176.0
237.15907287597656	136.0
237.364990234375	100.0
237.4501495361328	124.0
238.18490600585938	164.0
238.3134765625	160.0
238.4693603515625	180.0
238.628662109375	144.0
238.7811737060547	168.0
238.93093872070312	140.0
238.9903564453125	192.0
239.23606872558594	148.0
239.60897827148438	268.0
239.75711059570312	176.0
239.85572814941406	148.0
240.0360107421875	136.0
240.38311767578125	204.0
240.4647216796875	164.0
240.89254760742188	164.0
241.09329223632812	156.0
241.133544921875	212.0
241.5068359375	152.0
241.87277221679688	204.0
242.10398864746094	592.0
242.27842712402344	180.0
242.61312866210938	204.0
242.86764526367188	196.0
243.056640625	156.0
243.11248779296875	168.0
243.1993865966797	224.0
243.71800231933594	176.0
243.79879760742188	212.0
243.99461364746094	180.0
244.02259826660156	172.0
244.92506408691406	176.0
245.08668518066406	148.0
245.29727172851562	108.0
245.3253173828125	188.0
245.42877197265625	108.0
245.5275115966797	108.0
246.08514404296875	208.0
246.14862060546875	1184.0
246.26002502441406	236.0
246.65847778320312	164.0
246.9966278076172	120.0
247.05709838867188	220.0
247.1079864501953	5008.0
247.38882446289062	156.0
247.6696319580078	112.0
248.02784729003906	160.0
248.1119384765625	568.0
248.39785766601562	288.0
248.62586975097656	208.0
249.11697387695312	272.0
249.14454650878906	128.0
249.2769317626953	220.0
249.3177947998047	180.0
249.55174255371094	140.0
249.8314971923828	116.0
250.15316772460938	156.0
250.1764678955078	172.0
250.51797485351562	152.0
251.10284423828125	164.0
251.191162109375	200.0
251.80348205566406	148.0
252.01197814941406	140.0
252.04116821289062	132.0
252.5557098388672	160.0
253.0557098388672	144.0
254.12522888183594	148.0
254.301513671875	264.0
254.6444091796875	140.0
255.09877014160156	248.0
255.65538024902344	148.0
256.1014099121094	140.0
256.41650390625	252.0
256.45477294921875	144.0
256.6619873046875	164.0
256.8341979980469	160.0
256.92779541015625	132.0
257.2828674316406	164.0
257.54595947265625	300.0
257.5727233886719	148.0
257.6138000488281	104.0
257.7408447265625	268.0
257.93548583984375	124.0
257.9997253417969	164.0
258.0271301269531	148.0
258.10296630859375	124.0
258.4634704589844	160.0
258.8045654296875	136.0
258.9128723144531	188.0
259.10980224609375	632.0
259.14227294921875	172.0
259.1967468261719	160.0
259.84515380859375	124.0
260.13250732421875	148.0
260.71136474609375	184.0
261.14178466796875	320.0
261.78558349609375	108.0
262.16058349609375	308.0
262.33135986328125	140.0
262.36224365234375	152.0
262.730224609375	160.0
263.0077209472656	140.0
263.0550231933594	184.0
263.1497802734375	140.0
263.4339599609375	160.0
264.1401062011719	176.0
265.16180419921875	152.0
265.45355224609375	176.0
265.89031982421875	164.0
265.9791564941406	156.0
266.0213317871094	140.0
266.3692932128906	136.0
267.1279602050781	192.0
267.43206787109375	148.0
267.5213928222656	144.0
267.8227844238281	192.0
268.0149841308594	140.0
268.13299560546875	868.0
268.8628234863281	152.0
268.8856506347656	152.0
268.9248352050781	220.0
268.977294921875	104.0
269.0749816894531	168.0
269.142333984375	348.0
269.1794738769531	268.0
269.4048156738281	220.0
269.48651123046875	152.0
269.5703430175781	176.0
269.8312072753906	144.0
269.8926696777344	148.0
270.1376953125	208.0
270.3958740234375	268.0
270.5297546386719	144.0
270.5690612792969	144.0
270.68035888671875	140.0
270.7864074707031	148.0
271.01983642578125	176.0
271.2799377441406	164.0
271.6373596191406	172.0
272.1321105957031	304.0
272.5862121582031	140.0
272.60919189453125	196.0
272.98724365234375	152.0
273.1239013671875	2060.0
273.2668151855469	144.0
273.859375	168.0
274.146240234375	268.0
274.2250671386719	176.0
274.4674072265625	124.0
274.7157287597656	144.0
275.1321105957031	144.0
275.1538391113281	152.0
275.4344177246094	100.0
275.5740051269531	164.0
275.7003173828125	352.0
275.87249755859375	132.0
276.1481018066406	144.0
276.7272033691406	188.0
276.78863525390625	148.0
276.86395263671875	268.0
277.0469665527344	148.0
277.13311767578125	152.0
277.1654357910156	756.0
277.259033203125	160.0
277.9255676269531	152.0
278.115966796875	156.0
278.1711730957031	268.0
278.3238525390625	152.0
278.73907470703125	140.0
279.260986328125	144.0
279.4355163574219	96.0
279.8799743652344	140.0
279.9432373046875	216.0
279.9798889160156	240.0
280.0571594238281	140.0
280.13165283203125	1680.0
280.4937744140625	132.0
280.7130126953125	144.0
281.0532531738281	164.0
281.1337585449219	348.0
281.1756591796875	216.0
281.2650451660156	120.0
281.2996520996094	96.0
281.3960266113281	172.0
281.4327087402344	116.0
281.75103759765625	164.0
281.934814453125	144.0
282.14923095703125	192.0
282.4199523925781	192.0
282.5935363769531	140.0
283.1023254394531	172.0
283.70208740234375	332.0
283.8940124511719	168.0
284.6314392089844	220.0
284.7691345214844	156.0
285.0882873535156	168.0
285.51544189453125	120.0
285.7388000488281	168.0
285.886962890625	160.0
285.966064453125	316.0
286.5711364746094	176.0
286.6260986328125	148.0
286.7137145996094	144.0
287.1544494628906	412.0
287.56024169921875	192.0
287.6712951660156	152.0
287.7121276855469	192.0
287.77349853515625	268.0
287.943603515625	124.0
288.0126647949219	184.0
288.0556640625	132.0
288.1551208496094	120.0
288.38323974609375	160.0
289.1058044433594	172.0
289.13702392578125	128.0
289.1711120605469	268.0
289.28192138671875	100.0
289.4099426269531	160.0
289.6430358886719	152.0
289.9581298828125	172.0
290.026123046875	184.0
290.17913818359375	120.0
290.5936584472656	132.0
290.92095947265625	144.0
290.9587707519531	140.0
292.1039733886719	140.0
292.9085693359375	208.0
293.15447998046875	120.0
293.2003173828125	188.0
293.2370910644531	132.0
293.4383850097656	100.0
294.1477355957031	276.0
294.3226318359375	152.0
294.62432861328125	192.0
294.7393493652344	152.0
295.60992431640625	188.0
295.70477294921875	144.0
296.0055236816406	120.0
296.09808349609375	148.0
296.23272705078125	128.0
296.48797607421875	156.0
296.6747741699219	184.0
296.7096252441406	132.0
296.74383544921875	212.0
297.44146728515625	148.0
297.5307312011719	168.0
297.6302795410156	176.0
297.940673828125	100.0
298.0527648925781	176.0
298.2211608886719	160.0
298.3517761230469	164.0
299.00189208984375	156.0
299.0982360839844	176.0
299.1580810546875	116.0
299.7870788574219	140.0
299.8648681640625	120.0
300.3278503417969	140.0
300.4076843261719	156.0
300.43182373046875	176.0
300.56982421875	168.0
301.03582763671875	180.0
301.2948913574219	152.0
301.47454833984375	184.0
301.535888671875	128.0
301.9134216308594	156.0
302.53985595703125	164.0
302.8099365234375	152.0
302.9713134765625	136.0
303.11480712890625	152.0
303.2153015136719	148.0
303.4163513183594	152.0
303.5376892089844	288.0
303.8637390136719	176.0
304.1496887207031	104.0
304.3963623046875	96.0
304.4590148925781	120.0
304.8580322265625	100.0
305.04681396484375	136.0
305.1640319824219	1608.0
305.3537902832031	96.0
305.64068603515625	168.0
305.7284851074219	144.0
306.17059326171875	244.0
306.3195495605469	136.0
306.4678649902344	204.0
306.5793762207031	144.0
307.5267639160156	152.0
307.7583923339844	184.0
308.1098327636719	172.0
308.4501037597656	152.0
308.6557312011719	212.0
308.80462646484375	256.0
308.9256896972656	164.0
309.8218688964844	164.0
310.0294494628906	180.0
310.059814453125	212.0
310.1372375488281	148.0
310.1755065917969	148.0
310.21435546875	208.0
310.5439453125	148.0
310.9179992675781	96.0
310.9706726074219	116.0
311.16156005859375	152.0
311.2071838378906	144.0
311.3792724609375	140.0
311.78704833984375	116.0
312.0235595703125	180.0
312.053955078125	144.0
312.3036193847656	188.0
312.6410827636719	100.0
312.9969177246094	196.0
313.0814208984375	148.0
313.6389465332031	212.0
313.8528137207031	236.0
314.0012512207031	148.0
314.2164001464844	168.0
314.2796630859375	116.0
314.5400390625	108.0
314.6109619140625	156.0
314.890625	236.0
315.1624450683594	144.0
315.2898254394531	140.0
315.42413330078125	176.0
316.0575866699219	164.0
316.741455078125	128.0
317.28973388671875	216.0
317.5897521972656	172.0
317.6798095703125	248.0
318.1355895996094	156.0
318.2710876464844	200.0
318.407470703125	160.0
318.53887939453125	144.0
319.068359375	144.0
319.1714782714844	168.0
319.2197265625	112.0
319.5591735839844	144.0
319.7851257324219	120.0
319.9613342285156	156.0
319.9950866699219	160.0
320.0986328125	128.0
320.37445068359375	160.0
320.5010070800781	200.0
320.53192138671875	204.0
321.0041809082031	128.0
321.0362243652344	232.0
321.07562255859375	128.0
321.16064453125	144.0
321.50115966796875	152.0
322.2596435546875	124.0
322.3689270019531	144.0
322.921875	180.0
323.17694091796875	1784.0
323.241455078125	144.0
323.3237609863281	144.0
323.37744140625	144.0
323.51214599609375	140.0
324.0685729980469	168.0
324.1781311035156	468.0
324.251953125	156.0
324.59759521484375	148.0
324.7855529785156	188.0
325.2412414550781	160.0
325.34173583984375	156.0
325.5535888671875	140.0
325.5966796875	208.0
325.7773132324219	140.0
326.03704833984375	160.0
326.92681884765625	144.0
327.42364501953125	232.0
327.51727294921875	164.0
327.7154235839844	152.0
327.8379211425781	156.0
328.3044128417969	168.0
328.3940734863281	136.0
328.4615478515625	128.0
329.13653564453125	188.0
329.2845764160156	164.0
329.8358154296875	168.0
330.33880615234375	120.0
330.8538818359375	168.0
331.0675354003906	208.0
331.29931640625	140.0
331.74371337890625	192.0
332.172119140625	104.0
332.6395568847656	252.0
333.01104736328125	116.0
333.1621398925781	964.0
333.703369140625	164.0
333.8257141113281	204.0
334.09100341796875	140.0
334.1683044433594	188.0
334.5989685058594	96.0
334.8377380371094	108.0
334.9982604980469	124.0
335.1739501953125	128.0
335.582763671875	292.0
335.82122802734375	144.0
336.1482849121094	132.0
336.42376708984375	128.0
336.565673828125	160.0
336.8046875	152.0
337.15521240234375	116.0
337.3702697753906	216.0
337.4718322753906	148.0
337.8887634277344	164.0
338.27667236328125	152.0
338.82965087890625	144.0
338.9505615234375	172.0
339.1631164550781	160.0
339.2254333496094	176.0
339.42340087890625	152.0
339.57452392578125	116.0
339.7090759277344	108.0
339.7608337402344	200.0
339.8195495605469	176.0
340.5201110839844	112.0
340.5926513671875	108.0
340.77484130859375	124.0
341.0132141113281	124.0
341.39532470703125	160.0
341.57171630859375	188.0
341.7079772949219	148.0
342.09222412109375	176.0
342.1341247558594	168.0
342.3558349609375	156.0
342.9305419921875	160.0
343.3669738769531	128.0
343.6222229003906	232.0
343.83782958984375	212.0
344.0075988769531	176.0
344.3531799316406	164.0
344.4608459472656	152.0
344.879150390625	152.0
345.0267333984375	124.0
345.077392578125	112.0
345.39593505859375	164.0
345.6283874511719	148.0
345.80401611328125	140.0
345.9719543457031	140.0
346.0483093261719	184.0
346.1462707519531	184.0
346.2919921875	140.0
346.3182678222656	208.0
346.43499755859375	184.0
346.82342529296875	148.0
347.1723937988281	180.0
347.25634765625	172.0
347.9005126953125	100.0
347.93170166015625	204.0
348.1092529296875	132.0
348.1845397949219	132.0
348.3455505371094	136.0
348.41424560546875	196.0
348.5874328613281	96.0
348.73406982421875	144.0
348.80377197265625	108.0
349.0498046875	188.0
349.1898193359375	144.0
349.2496643066406	172.0
349.472412109375	108.0
349.5540771484375	144.0
349.6193542480469	152.0
349.8222961425781	184.0
349.8828430175781	104.0
349.9692687988281	160.0
350.01019287109375	212.0
350.0640563964844	240.0
350.1348571777344	232.0
350.3961486816406	140.0
350.4714660644531	132.0
350.5334167480469	300.0
350.5686340332031	168.0
350.59857177734375	212.0
350.6695251464844	224.0
350.7119140625	444.0
350.7762145996094	252.0
350.8654479980469	264.0
350.9451904296875	228.0
350.9615783691406	168.0
351.0090026855469	200.0
351.172607421875	350976.0
351.3010559082031	372.0
351.34967041015625	140.0
351.44635009765625	196.0
351.51568603515625	180.0
351.52972412109375	152.0
351.5373840332031	508.0
351.5528869628906	260.0
351.5784606933594	268.0
351.6493835449219	344.0
351.7340393066406	228.0
351.7857666015625	3640.0
351.8368225097656	196.0
351.8948059082031	208.0
351.9627380371094	304.0
351.9961242675781	152.0
352.0716857910156	272.0
352.17474365234375	103736.0
352.28460693359375	204.0
352.3456726074219	188.0
352.3990478515625	136.0
352.4561462402344	108.0
352.4815673828125	156.0
352.56011962890625	164.0
352.5767517089844	240.0
352.6133728027344	112.0
352.6771240234375	236.0
352.71856689453125	172.0
352.7961730957031	216.0
352.8470153808594	172.0
352.9734802246094	104.0
353.0216369628906	244.0
353.10711669921875	120.0
353.177001953125	11524.0
353.2391662597656	380.0
353.2790222167969	168.0
353.37115478515625	144.0
353.42657470703125	152.0
353.5182800292969	112.0
353.5514831542969	136.0
353.6394348144531	180.0
353.6758728027344	144.0
353.7126770019531	208.0
353.7528381347656	212.0
353.8930969238281	184.0
353.9358825683594	100.0
353.970458984375	152.0
354.01629638671875	184.0
354.075927734375	112.0
354.17840576171875	976.0
354.25372314453125	504.0
354.3165283203125	284.0
354.38507080078125	388.0
354.45703125	204.0
354.50372314453125	252.0
354.5704345703125	180.0
354.6061096191406	320.0
354.6807556152344	232.0
354.71221923828125	244.0
354.92132568359375	144.0
355.0061340332031	140.0
355.0390319824219	148.0
355.0887145996094	196.0
355.1991882324219	204.0
355.3895568847656	168.0
355.53192138671875	256.0
355.7063903808594	108.0
355.7445373535156	140.0
355.8087158203125	160.0
355.97222900390625	144.0
356.03753662109375	124.0
356.06756591796875	144.0
356.3733825683594	96.0
357.3679504394531	144.0
357.4389953613281	96.0
357.7921142578125	152.0
357.9361877441406	132.0
358.0143127441406	116.0
358.17095947265625	108.0
358.4092712402344	108.0
358.53912353515625	116.0
358.9291687011719	108.0
359.15875244140625	176.0
359.775634765625	104.0
360.14727783203125	112.0
360.4059143066406	124.0
360.49993896484375	116.0
360.6345520019531	156.0
360.9596862792969	160.0
361.00128173828125	140.0
361.1891174316406	160.0
361.4390869140625	140.0
361.52166748046875	132.0
361.91595458984375	192.0
362.04571533203125	172.0
362.2123718261719	208.0
362.33740234375	200.0
363.2065734863281	776.0
363.82196044921875	104.0
364.2024841308594	176.0
364.3127136230469	116.0
364.34796142578125	112.0
364.5152893066406	192.0
364.55303955078125	192.0
364.6007080078125	132.0
364.84747314453125	180.0
365.1235046386719	144.0
365.7665100097656	152.0
365.818603515625	140.0
365.9111633300781	140.0
366.1004638671875	96.0
366.2347106933594	96.0
367.0504150390625	140.0
367.3482971191406	188.0
367.5257263183594	116.0
367.9317626953125	228.0
368.18853759765625	96.0
368.5313720703125	200.0
368.6918640136719	144.0
368.94256591796875	136.0
369.2691650390625	184.0
369.412353515625	128.0
370.4833068847656	228.0
370.7164611816406	176.0
370.97308349609375	160.0
371.12811279296875	128.0
371.3739318847656	108.0
372.18927001953125	320.0
372.6636047363281	100.0
372.8499755859375	168.0
373.48822021484375	200.0
373.7190246582031	144.0
373.7613525390625	140.0
374.1374816894531	144.0
374.5289611816406	144.0
374.821533203125	168.0
375.28125	116.0
375.40618896484375	144.0
376.0543212890625	168.0
376.123779296875	216.0
376.6952819824219	172.0
376.7471923828125	132.0
377.02227783203125	180.0
377.1979675292969	176.0
377.2953796386719	148.0
377.3329162597656	148.0
377.3739929199219	180.0
377.4985656738281	128.0
377.5249938964844	96.0
377.7945556640625	120.0
378.0484924316406	180.0
378.8565979003906	112.0
379.19952392578125	484.0
380.0167541503906	100.0
380.1738586425781	300.0
380.4593505859375	212.0
381.2187194824219	100.0
381.4246520996094	112.0
381.4732666015625	160.0
381.50823974609375	204.0
382.1047668457031	104.0
382.6559143066406	140.0
383.215087890625	136.0
383.5029296875	132.0
383.59088134765625	236.0
384.21002197265625	152.0
384.7455749511719	144.0
384.80169677734375	128.0
384.8314514160156	200.0
384.9525146484375	200.0
385.06304931640625	156.0
385.5184631347656	168.0
385.79644775390625	160.0
386.6099853515625	184.0
386.6476135253906	156.0
386.81744384765625	188.0
387.0679931640625	160.0
387.7417907714844	216.0
388.3377380371094	156.0
388.4004821777344	148.0
388.71630859375	104.0
389.3651123046875	112.0
389.5348815917969	192.0
389.5970153808594	128.0
389.84820556640625	164.0
389.8806457519531	184.0
390.2408752441406	128.0
390.5608215332031	160.0
390.9986267089844	116.0
391.2348327636719	208.0
391.6129150390625	132.0
392.07659912109375	264.0
392.9178771972656	148.0
393.0776672363281	132.0
393.6179504394531	124.0
393.93499755859375	164.0
394.37994384765625	172.0
394.5040588378906	144.0
394.8598937988281	148.0
395.9890441894531	108.0
396.1581726074219	148.0
396.3602294921875	188.0
396.4355163574219	168.0
397.0381164550781	128.0
397.17828369140625	688.0
397.2437438964844	156.0
397.9275207519531	108.0
398.08575439453125	184.0
398.1834411621094	336.0
398.3836669921875	164.0
398.41668701171875	140.0
398.6226806640625	148.0
399.18524169921875	152.0
399.4935607910156	100.0
399.62005615234375	156.0
399.8031005859375	160.0
400.648681640625	132.0
400.9022216796875	148.0
401.08953857421875	224.0
401.715576171875	140.0
402.1476135253906	236.0
402.7294616699219	144.0
403.66064453125	152.0
403.8045959472656	144.0
403.8392639160156	140.0
404.2806701660156	192.0
404.37371826171875	96.0
405.6103820800781	144.0
406.122314453125	176.0
406.3416442871094	180.0
407.19342041015625	376.0
407.49249267578125	196.0
407.6692199707031	136.0
407.83404541015625	144.0
407.978759765625	192.0
408.1114501953125	184.0
408.1596984863281	176.0
408.1941833496094	132.0
408.34564208984375	152.0
408.7735900878906	192.0
408.946533203125	156.0
409.37493896484375	148.0
409.8905334472656	176.0
410.11920166015625	168.0
410.9388732910156	180.0
411.0193176269531	188.0
411.0873718261719	160.0
411.53021240234375	180.0
412.1867980957031	112.0
412.39263916015625	168.0
412.7685852050781	160.0
413.02020263671875	112.0
413.3558044433594	144.0
413.512939453125	140.0
414.03497314453125	132.0
414.14263916015625	168.0
414.5752868652344	164.0
415.0401611328125	152.0
415.5025329589844	184.0
415.6267395019531	124.0
415.75006103515625	288.0
415.99359130859375	140.0
416.6067810058594	180.0
416.7652282714844	160.0
417.1309814453125	160.0
417.3812255859375	104.0
417.73974609375	136.0
417.88739013671875	152.0
418.2530822753906	148.0
418.3493957519531	116.0
418.6759338378906	144.0
419.0924072265625	108.0
419.186279296875	152.0
419.24334716796875	200.0
419.4256591796875	176.0
419.5523986816406	132.0
419.6045837402344	160.0
419.9037780761719	156.0
420.0202331542969	196.0
420.1626892089844	196.0
420.2338562011719	140.0
420.3892517089844	120.0
420.46246337890625	204.0
420.61602783203125	148.0
420.6546325683594	176.0
420.7699279785156	120.0
421.0953674316406	116.0
421.2334899902344	144.0
421.32568359375	104.0
421.51220703125	156.0
421.744384765625	144.0
421.8144836425781	128.0
421.9577331542969	304.0
422.033203125	104.0
422.14019775390625	104.0
422.2210388183594	112.0
422.2459411621094	216.0
422.34014892578125	172.0
422.36962890625	192.0
422.4582824707031	164.0
422.59722900390625	136.0
422.6951904296875	224.0
422.7451477050781	124.0
422.78759765625	104.0
422.8610534667969	216.0
422.8927917480469	216.0
422.92486572265625	200.0
423.0497131347656	252.0
423.1484375	124.0
423.1958312988281	256.0
423.2921142578125	152.0
423.3672180175781	132.0
423.4211120605469	416.0
423.4884948730469	372.0
423.53424072265625	220.0
423.609130859375	176.0
423.65814208984375	128.0
423.7058410644531	312.0
423.7580871582031	224.0
423.826416015625	280.0
423.8564147949219	240.0
423.890869140625	176.0
423.9354553222656	380.0
424.01336669921875	376.0
424.0576171875	244.0
424.1240234375	484.0
424.16497802734375	400.0
424.2302551269531	348.0
424.3305358886719	348.0
424.3594665527344	512.0
424.4179992675781	492.0
424.4614562988281	244.0
424.5014343261719	396.0
424.5445861816406	352.0
424.5879211425781	508.0
424.63128662109375	180.0
424.6603698730469	312.0
424.68988037109375	736.0
424.7290344238281	640.0
424.7613220214844	312.0
424.83770751953125	608.0
424.87164306640625	504.0
424.91998291015625	896.0
424.9919128417969	776.0
425.0285949707031	512.0
425.0371398925781	380.0
425.069580078125	524.0
425.1016845703125	1104.0
425.21051025390625	214868.0
425.3580017089844	168.0
425.491943359375	436.0
425.59228515625	2648.0
425.6507873535156	928.0
425.7251281738281	1392.0
425.771484375	1636.0
425.83465576171875	1884.0
425.9038391113281	16028.0
425.9911193847656	412.0
426.0499267578125	364.0
426.2131652832031	180052.0
426.314697265625	264.0
426.3518371582031	204.0
426.46014404296875	128.0
426.5242919921875	716.0
426.59381103515625	944.0
426.8043212890625	200.0
426.84124755859375	264.0
426.891357421875	4644.0
427.0690612792969	176.0
427.1276550292969	148.0
427.21417236328125	45444.0
427.4873046875	144.0
427.5483093261719	256.0
427.5918273925781	308.0
427.8887023925781	572.0
427.932861328125	204.0
428.0049743652344	128.0
428.12799072265625	112.0
428.1691589355469	252.0
428.2174377441406	5552.0
428.2925720214844	212.0
428.4275817871094	152.0
428.46929931640625	196.0
428.51055908203125	412.0
428.55694580078125	324.0
428.6062316894531	200.0
428.659912109375	300.0
428.70916748046875	300.0
428.7335510253906	252.0
428.78082275390625	396.0
428.851806640625	380.0
428.8863830566406	448.0
428.92425537109375	344.0
428.9654235839844	228.0
429.0323486328125	336.0
429.10125732421875	360.0
429.1552429199219	180.0
429.20562744140625	412.0
429.23968505859375	324.0
429.3860778808594	104.0
429.4298095703125	128.0
429.56622314453125	184.0
429.6807861328125	136.0
429.774658203125	176.0
429.8462829589844	292.0
429.9371337890625	204.0
430.0799560546875	196.0
430.1194763183594	184.0
430.1602478027344	152.0
430.1982116699219	252.0
430.2684326171875	112.0
430.3376159667969	132.0
430.6714782714844	96.0
430.8748474121094	176.0
430.9497985839844	152.0
431.0988464355469	124.0
432.3351745605469	120.0
433.8363037109375	96.0
437.8583068847656	104.0
439.9053039550781	180.0
440.75714111328125	124.0
442.3875732421875	240.0
443.6291809082031	132.0
444.5855712890625	96.0
446.0836181640625	96.0
455.4150085449219	116.0
463.52618408203125	108.0
480.54669189453125	148.0
494.1892395019531	144.0
496.10064697265625	104.0
513.5419311523438	148.0
538.9216918945312	120.0
549.3619384765625	156.0
549.8518676757812	140.0
565.45263671875	112.0
574.8204345703125	116.0
593.231201171875	112.0
608.551025390625	100.0
615.885009765625	96.0
621.7303466796875	116.0
632.552001953125	136.0
637.11181640625	184.0
638.970458984375	96.0
652.5211181640625	164.0
657.4107666015625	128.0
680.2556762695312	108.0
695.5354614257812	120.0
745.698974609375	152.0
759.4525146484375	140.0
915.6303100585938	252.0
926.8360595703125	144.0
1004.2975463867188	108.0
1006.352783203125	108.0
1044.622802734375	164.0
1072.0821533203125	144.0
1084.080322265625	152.0
1100.2740478515625	208.0
1106.8868408203125	156.0
1164.591796875	160.0
1195.8865966796875	164.0
1219.444091796875	208.0
1222.4066162109375	144.0
1225.4912109375	236.0
1225.6864013671875	144.0
1228.69140625	176.0
1245.414794921875	168.0
1247.4102783203125	144.0
1250.7938232421875	160.0
1267.5767822265625	240.0
1277.328125	192.0
1289.3431396484375	144.0
1293.806396484375	176.0
1294.0596923828125	196.0
1308.6319580078125	212.0
1312.77001953125	164.0
1314.8311767578125	160.0
1325.0484619140625	168.0
1325.7005615234375	156.0
1345.9010009765625	144.0
1386.1077880859375	156.0
1392.302001953125	236.0
1396.7242431640625	148.0
1403.06884765625	144.0
1406.22412109375	180.0
1411.6702880859375	176.0
1415.995849609375	140.0
1417.7608642578125	148.0
1418.2811279296875	156.0
1419.68310546875	212.0
1438.2210693359375	180.0
1441.340087890625	160.0
1447.5882568359375	164.0
1450.5885009765625	160.0
1456.9063720703125	144.0
1459.6839599609375	184.0
1462.3465576171875	188.0
1463.7044677734375	236.0
1465.46875	172.0
1468.784912109375	292.0
1481.2674560546875	160.0
1488.5303955078125	140.0
1501.875244140625	164.0
1502.608154296875	204.0
1509.66796875	144.0
1518.806884765625	140.0
1523.510986328125	196.0
1530.802978515625	96.0
1532.1307373046875	148.0
1535.326416015625	212.0
1536.3013916015625	176.0
1538.5411376953125	144.0
1542.556396484375	148.0
1542.923828125	156.0
1547.1326904296875	180.0
1549.9473876953125	152.0
1550.8692626953125	188.0
1555.2222900390625	200.0
1564.6868896484375	148.0
1565.6317138671875	140.0
1579.317138671875	180.0
1587.1334228515625	148.0
1594.5081787109375	160.0
1599.3040771484375	188.0
1601.7008056640625	168.0
1604.8646240234375	184.0
1605.0400390625	176.0
1606.45166015625	156.0
1609.1011962890625	160.0
1613.199462890625	148.0
1616.070556640625	184.0
1616.310546875	180.0
1625.076171875	140.0
1636.5537109375	188.0
1638.6719970703125	140.0
1640.4088134765625	144.0
1641.5010986328125	164.0
1644.792724609375	148.0
1652.413330078125	208.0
1655.804931640625	180.0
1656.177490234375	192.0
1657.9761962890625	184.0
1663.8243408203125	196.0
1664.73486328125	120.0
1666.5126953125	192.0
1667.4715576171875	208.0
1670.23779296875	192.0
1673.5562744140625	176.0
1674.77783203125	156.0
1680.826904296875	196.0
1681.651123046875	160.0
1687.4510498046875	192.0
1687.50830078125	172.0
1690.3792724609375	156.0
1696.0875244140625	156.0
1696.99755859375	140.0
1697.1041259765625	172.0
1701.895751953125	164.0
1703.7191162109375	204.0
1706.5955810546875	188.0
1710.3963623046875	172.0
1712.537109375	220.0
1713.03955078125	160.0
1714.440185546875	160.0
1715.37158203125	160.0
1716.52587890625	196.0
1728.097900390625	172.0
1729.041259765625	200.0
1730.7464599609375	156.0
1731.533203125	144.0
1732.096435546875	216.0
1733.1048583984375	128.0
1736.58056640625	164.0
1738.8123779296875	168.0
1743.0142822265625	164.0
1746.065185546875	192.0
1747.55419921875	164.0
1752.058349609375	156.0
1759.0882568359375	188.0
1762.8717041015625	248.0
1765.1370849609375	156.0
1765.4715576171875	180.0
1767.847412109375	160.0
1775.386962890625	228.0
1775.74755859375	176.0
1777.218017578125	168.0
1780.623779296875	156.0
1781.4468994140625	160.0
1781.665283203125	184.0
1784.1865234375	164.0
1785.6580810546875	192.0
1786.8441162109375	140.0
1788.4093017578125	140.0
1788.8555908203125	148.0
1790.640380859375	156.0
1792.662353515625	168.0
1794.112060546875	176.0
1794.3311767578125	144.0
1795.6551513671875	176.0
1796.262451171875	164.0
1800.406494140625	140.0
1805.1444091796875	140.0
1805.409423828125	296.0
1805.6124267578125	196.0
1810.902099609375	156.0
1815.945068359375	168.0
1817.6162109375	152.0
1817.9132080078125	204.0
1821.8443603515625	160.0
1824.019775390625	188.0
1824.98046875	192.0
1827.8809814453125	156.0
1831.6439208984375	224.0
1833.75927734375	148.0
1835.6666259765625	144.0
1836.18359375	144.0
1836.75830078125	200.0
1838.4476318359375	148.0
1841.4869384765625	196.0
1846.298583984375	152.0
1846.4866943359375	164.0
1846.5465087890625	144.0
1847.8382568359375	172.0
1850.1917724609375	196.0
1850.285888671875	152.0
1851.339111328125	180.0
1852.37548828125	224.0
1853.9090576171875	176.0
1854.61181640625	172.0
1862.0592041015625	144.0
1862.2137451171875	152.0
1863.62255859375	208.0
1864.9373779296875	156.0
1866.9061279296875	180.0
1870.5313720703125	272.0
1873.7491455078125	212.0
1875.64501953125	144.0
1876.369140625	272.0
1878.870849609375	272.0
1884.30908203125	244.0
1891.8590087890625	148.0
1893.0279541015625	164.0
1893.9979248046875	152.0
1894.266357421875	172.0
1896.8236083984375	148.0
1900.75146484375	168.0
1906.63916015625	168.0
1906.8389892578125	196.0
1907.9342041015625	216.0
1908.0299072265625	160.0
1910.1951904296875	176.0
1912.3966064453125	176.0
1915.6400146484375	108.0
1920.6043701171875	180.0
1921.4853515625	164.0
1923.5274658203125	160.0
1923.9232177734375	108.0
1927.2391357421875	160.0
1930.8668212890625	148.0
1934.664306640625	148.0
1936.313720703125	128.0
1943.57763671875	196.0
1947.4754638671875	168.0
1948.8897705078125	220.0
1950.146484375	256.0
1951.1221923828125	180.0
1951.3243408203125	160.0
1951.8695068359375	176.0
1952.21240234375	148.0
1952.3707275390625	164.0
1954.939453125	164.0
1956.3653564453125	196.0
1958.35546875	180.0
1960.9281005859375	168.0
1961.580322265625	176.0
1962.849853515625	164.0
1962.94287109375	156.0
1964.86083984375	180.0
1966.864013671875	196.0
1968.4267578125	188.0
1977.9041748046875	176.0
1978.0546875	192.0
1978.709716796875	180.0
1979.170166015625	176.0
1980.1796875	188.0
1981.154052734375	196.0
1988.10546875	156.0
1989.7386474609375	224.0
1989.8275146484375	164.0
1992.3319091796875	172.0
1994.5179443359375	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078920
PEPMASS=229.099579
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OC(=O)/C=C/c1ccc(Cn2ccnc2)cc1
INCHI=InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
INCHIAUX=SHZKQBHERIJWAO-AATRIKPKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078920
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078920
SCANS=997
45.31123733520508	236.0
45.51511001586914	160.0
46.89639663696289	156.0
47.002769470214844	196.0
47.222713470458984	200.0
47.58173751831055	164.0
47.705379486083984	176.0
48.41597366333008	164.0
49.06208801269531	160.0
49.74898147583008	156.0
49.778778076171875	144.0
50.38553237915039	168.0
51.657901763916016	212.0
53.6202507019043	180.0
54.404273986816406	228.0
54.44538879394531	184.0
54.69827651977539	140.0
56.03556823730469	168.0
56.2846565246582	180.0
56.30854797363281	164.0
56.56422805786133	156.0
57.47951126098633	196.0
57.50969314575195	188.0
58.06496047973633	260.0
59.159000396728516	160.0
60.78661346435547	184.0
61.383949279785156	232.0
62.235172271728516	168.0
62.617828369140625	132.0
63.0827751159668	176.0
63.17291259765625	180.0
64.42401885986328	184.0
64.94746398925781	176.0
66.18030548095703	152.0
66.64582061767578	152.0
67.01353454589844	160.0
68.73851776123047	140.0
69.57270050048828	144.0
70.61363983154297	188.0
72.38287353515625	140.0
72.68289947509766	148.0
72.70326232910156	180.0
72.79832458496094	168.0
72.88835906982422	148.0
73.9319839477539	152.0
74.58888244628906	196.0
75.6982421875	184.0
75.7259521484375	164.0
76.29336547851562	160.0
77.26824951171875	160.0
78.81196594238281	224.0
80.51911163330078	180.0
80.78543853759766	156.0
81.08087921142578	172.0
82.37275695800781	172.0
82.8720703125	164.0
83.65117645263672	180.0
83.68212890625	148.0
84.35896301269531	164.0
84.75611114501953	236.0
85.03668975830078	188.0
85.09359741210938	180.0
85.2956771850586	172.0
87.10472106933594	184.0
87.22178649902344	144.0
88.23028564453125	148.0
88.8314208984375	204.0
89.05103302001953	192.0
89.35932159423828	144.0
89.69829559326172	188.0
89.92652893066406	296.0
90.18717193603516	156.0
90.43873596191406	204.0
90.5978012084961	240.0
91.65034484863281	200.0
92.18463134765625	152.0
92.39495849609375	176.0
92.82015991210938	148.0
92.96211242675781	144.0
95.70508575439453	168.0
97.40850830078125	176.0
97.63257598876953	200.0
98.04008483886719	156.0
100.07443237304688	160.0
100.57280731201172	172.0
101.86634826660156	160.0
103.05620574951172	296.0
104.0584945678711	236.0
104.1834487915039	144.0
104.37043762207031	148.0
104.47415924072266	220.0
104.57997131347656	148.0
105.03231048583984	320.0
105.07044982910156	1532.0
105.53878021240234	212.0
105.76586151123047	144.0
106.07275390625	160.0
107.06961822509766	180.0
107.1705551147461	212.0
108.29020690917969	156.0
108.6695556640625	164.0
108.77747344970703	168.0
108.8210678100586	172.0
109.35115051269531	192.0
109.74278259277344	180.0
110.92815399169922	176.0
111.17774963378906	172.0
111.38770294189453	188.0
112.19789123535156	148.0
113.9693832397461	196.0
114.80594635009766	184.0
115.05439758300781	17168.0
116.05826568603516	1300.0
116.14051055908203	144.0
116.31431579589844	216.0
117.0650863647461	140.0
118.41874694824219	204.0
119.04763793945312	564.0
119.656494140625	156.0
120.05306243896484	212.0
120.81971740722656	156.0
121.00355529785156	148.0
124.39421081542969	284.0
124.63850402832031	140.0
126.48287200927734	180.0
126.97130584716797	184.0
127.7147216796875	148.0
127.86996459960938	196.0
128.95370483398438	128.0
129.09271240234375	172.0
129.20579528808594	168.0
131.41871643066406	140.0
131.67437744140625	144.0
133.06478881835938	2616.0
133.89212036132812	156.0
134.07266235351562	316.0
135.58786010742188	204.0
136.54669189453125	156.0
136.66094970703125	168.0
138.41360473632812	212.0
138.50729370117188	180.0
138.8541717529297	204.0
139.05828857421875	164.0
140.14942932128906	204.0
140.279052734375	160.0
141.95925903320312	312.0
142.98875427246094	144.0
143.03160095214844	156.0
144.0553436279297	172.0
144.0880126953125	144.0
144.8104248046875	148.0
145.5274200439453	212.0
145.92608642578125	180.0
145.96473693847656	200.0
146.03688049316406	176.0
146.4677276611328	200.0
146.67494201660156	152.0
146.9667510986328	156.0
149.01751708984375	148.0
149.90077209472656	160.0
150.43490600585938	196.0
154.85855102539062	148.0
155.97509765625	160.0
156.17152404785156	184.0
157.32772827148438	144.0
158.59848022460938	168.0
158.93702697753906	156.0
160.0570831298828	244.0
160.15882873535156	148.0
160.38307189941406	140.0
160.76123046875	136.0
160.7699737548828	160.0
160.84718322753906	192.0
160.91920471191406	192.0
160.9823455810547	120.0
161.02682495117188	248.0
161.0604248046875	133448.0
161.1324920654297	268.0
161.1544189453125	136.0
161.31309509277344	112.0
161.4447479248047	200.0
161.47589111328125	688.0
161.53131103515625	128.0
161.74517822265625	156.0
161.8596649169922	108.0
162.06333923339844	12940.0
162.67990112304688	156.0
162.89447021484375	120.0
163.06471252441406	1120.0
163.213134765625	140.0
163.25115966796875	112.0
163.31260681152344	144.0
163.35231018066406	276.0
163.38372802734375	184.0
163.9375457763672	160.0
164.09080505371094	128.0
164.3883056640625	120.0
167.53114318847656	156.0
169.42733764648438	180.0
171.9730682373047	192.0
171.99655151367188	144.0
173.04747009277344	152.0
174.0621795654297	196.0
181.13841247558594	196.0
181.95376586914062	180.0
183.08836364746094	140.0
184.03753662109375	172.0
184.1212615966797	236.0
186.9540252685547	352.0
187.96522521972656	148.0
188.24911499023438	192.0
192.87303161621094	152.0
192.91448974609375	168.0
199.08056640625	140.0
204.57716369628906	148.0
204.96812438964844	176.0
206.9503631591797	172.0
208.929931640625	164.0
209.17453002929688	184.0
209.92074584960938	156.0
210.5902862548828	176.0
211.22328186035156	176.0
227.5401611328125	168.0
227.6212158203125	148.0
227.84046936035156	140.0
228.1199493408203	176.0
228.68690490722656	156.0
228.95640563964844	236.0
228.9801788330078	192.0
229.0401153564453	156.0
229.09791564941406	51192.0
229.17799377441406	100.0
229.39932250976562	228.0
229.4221954345703	120.0
229.48292541503906	208.0
230.100341796875	4040.0
230.2041473388672	196.0
230.60299682617188	268.0
231.0583038330078	196.0
231.10374450683594	260.0
231.76425170898438	124.0
231.79905700683594	160.0
231.86785888671875	148.0
231.9185791015625	136.0
232.1082305908203	208.0
283.1556091308594	144.0
380.8356018066406	160.0
383.7113037109375	140.0
1161.72607421875	164.0
1163.0899658203125	152.0
1368.0040283203125	172.0
1401.2637939453125	224.0
1421.17431640625	140.0
1441.943115234375	188.0
1448.23046875	148.0
1453.2564697265625	196.0
1455.7005615234375	204.0
1456.1182861328125	172.0
1495.7171630859375	152.0
1557.10498046875	172.0
1595.0946044921875	192.0
1601.7628173828125	152.0
1619.0145263671875	176.0
1713.6556396484375	184.0
1713.8863525390625	172.0
1731.6141357421875	192.0
1741.2928466796875	200.0
1745.464599609375	144.0
1769.7373046875	144.0
1779.966796875	152.0
1790.6806640625	192.0
1810.00244140625	188.0
1831.4716796875	144.0
1832.0849609375	168.0
1840.71630859375	176.0
1841.3909912109375	204.0
1843.979736328125	188.0
1844.201904296875	148.0
1845.1849365234375	180.0
1857.81689453125	160.0
1858.3402099609375	172.0
1880.6629638671875	160.0
1884.0738525390625	148.0
1885.2230224609375	192.0
1893.4241943359375	180.0
1894.1864013671875	200.0
1894.9141845703125	168.0
1921.8673095703125	200.0
1930.2613525390625	224.0
1944.7427978515625	172.0
1950.7772216796875	196.0
1952.1751708984375	168.0
1967.541748046875	172.0
1987.011962890625	204.0
1998.94482421875	168.0
1999.5499267578125	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078921
PEPMASS=282.091187
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
INCHI=InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
INCHIAUX=KJONHKAYOJNZEC-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078921
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078921
SCANS=1250
45.09273910522461	168.0
45.413177490234375	156.0
45.51919937133789	144.0
45.63628005981445	180.0
45.96341323852539	196.0
46.028846740722656	160.0
46.23097229003906	212.0
46.68407440185547	180.0
46.85013198852539	140.0
46.97282028198242	140.0
47.30487823486328	168.0
47.77558135986328	156.0
47.91049575805664	148.0
48.01249694824219	204.0
48.53105545043945	140.0
49.22819519042969	172.0
49.29384994506836	168.0
49.363746643066406	172.0
49.39731216430664	160.0
49.426692962646484	160.0
49.661895751953125	144.0
51.92726135253906	148.0
51.96599197387695	164.0
52.79425811767578	168.0
53.07418441772461	296.0
53.237709045410156	188.0
53.371395111083984	180.0
53.551849365234375	176.0
53.62761306762695	160.0
54.3841667175293	176.0
54.50697326660156	156.0
55.19110870361328	140.0
55.761844635009766	152.0
56.01628112792969	140.0
56.29220199584961	152.0
56.305641174316406	200.0
56.49397659301758	148.0
56.71409606933594	152.0
56.72608947753906	176.0
56.75566864013672	148.0
56.88209533691406	280.0
56.90311050415039	244.0
57.781455993652344	188.0
58.676326751708984	148.0
58.711395263671875	168.0
59.229522705078125	160.0
59.85458755493164	172.0
60.00250244140625	220.0
60.121273040771484	148.0
60.65568542480469	160.0
60.98393249511719	156.0
61.050785064697266	152.0
61.06633758544922	232.0
61.22819900512695	176.0
61.28327941894531	200.0
61.448543548583984	168.0
61.90127182006836	164.0
62.3719367980957	180.0
62.73871994018555	152.0
63.5548210144043	168.0
63.66276168823242	156.0
64.90746307373047	176.0
64.9315185546875	140.0
65.33308410644531	144.0
65.81732177734375	212.0
65.9426040649414	276.0
66.57768249511719	140.0
66.79222869873047	160.0
66.8454818725586	120.0
67.2965316772461	176.0
67.39215850830078	160.0
67.78486633300781	196.0
67.80452728271484	196.0
67.86846160888672	148.0
68.05551147460938	180.0
68.51437377929688	156.0
68.95846557617188	188.0
69.0673828125	160.0
69.22626495361328	140.0
69.45990753173828	148.0
70.10171508789062	168.0
70.20674133300781	172.0
70.46379089355469	192.0
70.55403900146484	160.0
70.82345581054688	152.0
70.84523010253906	168.0
70.97911834716797	172.0
71.15548706054688	184.0
71.35877990722656	180.0
71.61288452148438	184.0
71.75106048583984	160.0
71.85374450683594	104.0
71.90118408203125	160.0
72.7203369140625	144.0
73.23210906982422	168.0
73.31047821044922	228.0
73.56848907470703	148.0
74.11017608642578	200.0
74.14958953857422	188.0
74.37599182128906	140.0
74.54429626464844	140.0
74.55632781982422	152.0
74.5941390991211	164.0
74.86483764648438	168.0
75.06416320800781	156.0
75.3973388671875	152.0
76.11451721191406	140.0
76.73741912841797	156.0
76.89965057373047	164.0
77.07952880859375	168.0
77.38912200927734	148.0
77.87136840820312	164.0
77.8836669921875	148.0
78.11217498779297	200.0
78.49259185791016	168.0
78.60372161865234	152.0
78.70962524414062	220.0
78.7997055053711	152.0
78.85978698730469	164.0
78.9163589477539	152.0
78.97825622558594	152.0
79.25619506835938	156.0
79.29518127441406	148.0
79.44767761230469	140.0
79.678466796875	160.0
80.16242980957031	216.0
80.45629119873047	180.0
80.7569351196289	172.0
81.05410766601562	176.0
81.13297271728516	196.0
81.41287994384766	144.0
82.24285888671875	184.0
82.25910949707031	220.0
82.51021575927734	152.0
82.72730255126953	188.0
82.76264953613281	268.0
82.78343200683594	184.0
83.37483215332031	140.0
83.39300537109375	280.0
83.42027282714844	156.0
83.70409393310547	148.0
84.07779693603516	140.0
84.2256851196289	144.0
84.72875213623047	164.0
85.06434631347656	140.0
85.1488037109375	148.0
86.00679779052734	140.0
86.387451171875	308.0
86.8078842163086	152.0
87.173583984375	292.0
87.31739807128906	188.0
87.78043365478516	148.0
87.86809539794922	164.0
88.25000762939453	108.0
88.4361801147461	156.0
88.76777648925781	172.0
88.8915786743164	280.0
89.30300903320312	156.0
89.64753723144531	156.0
89.8304214477539	220.0
89.9172134399414	244.0
90.04937744140625	168.0
90.62445068359375	156.0
90.64339447021484	196.0
91.05574798583984	336.0
91.07482147216797	180.0
91.18804931640625	192.0
91.64285278320312	164.0
91.95559692382812	176.0
92.05486297607422	352.0
92.20960998535156	144.0
93.06397247314453	160.0
93.29228973388672	124.0
93.74490356445312	152.0
94.33744049072266	160.0
94.56568908691406	212.0
94.7942123413086	164.0
94.9434814453125	176.0
94.98226928710938	152.0
95.07540130615234	168.0
95.18605041503906	180.0
95.22683715820312	180.0
95.30259704589844	144.0
95.39588165283203	156.0
95.43670654296875	180.0
95.49893951416016	200.0
95.80839538574219	168.0
95.86104583740234	208.0
95.99239349365234	244.0
96.0599136352539	180.0
96.24337005615234	228.0
96.69102478027344	152.0
96.81632232666016	192.0
96.9573745727539	176.0
98.09540557861328	224.0
98.93931579589844	168.0
99.29164123535156	144.0
99.3055191040039	172.0
99.3947982788086	200.0
99.80047607421875	164.0
100.18012237548828	232.0
100.2726821899414	184.0
100.34354400634766	152.0
100.41532897949219	160.0
100.78263854980469	180.0
100.87457275390625	256.0
100.93054962158203	224.0
101.01054382324219	168.0
101.07856750488281	168.0
101.22669982910156	156.0
101.74977111816406	164.0
103.03820037841797	196.0
103.0894775390625	152.0
103.25120544433594	152.0
103.39228820800781	184.0
103.47783660888672	168.0
104.0211410522461	160.0
104.04943084716797	1244.0
104.18968963623047	152.0
104.28926086425781	176.0
104.8611831665039	160.0
105.03414154052734	364.0
105.04627227783203	608.0
105.79671478271484	160.0
106.03377532958984	196.0
106.0630111694336	148.0
106.134765625	172.0
106.1532211303711	168.0
106.17578125	156.0
106.1942367553711	160.0
106.3255386352539	236.0
106.43814849853516	164.0
106.493896484375	156.0
106.70761108398438	152.0
106.92359161376953	144.0
106.9421157836914	144.0
107.05329132080078	168.0
107.1768798828125	168.0
107.54299926757812	160.0
107.58826446533203	156.0
108.41051483154297	164.0
108.4250259399414	152.0
108.70706176757812	216.0
109.05294036865234	344.0
109.72416687011719	204.0
109.73876190185547	140.0
109.77629852294922	156.0
110.2397232055664	196.0
110.40068817138672	140.0
110.4718017578125	164.0
110.77743530273438	176.0
110.97443389892578	140.0
111.02825164794922	120.0
111.28495788574219	184.0
111.50342559814453	240.0
111.66590881347656	140.0
112.02102661132812	140.0
112.15377807617188	204.0
112.52716827392578	140.0
112.55250549316406	144.0
112.87791442871094	152.0
113.0027084350586	228.0
113.10216522216797	204.0
113.13815307617188	176.0
113.17414855957031	148.0
113.24191284179688	196.0
114.2076416015625	176.0
114.8764877319336	224.0
114.96183776855469	152.0
115.04507446289062	172.0
115.109130859375	160.0
115.37406158447266	172.0
115.43179321289062	152.0
115.67355346679688	156.0
115.77632904052734	168.0
115.85771942138672	180.0
116.05131530761719	888.0
116.2274398803711	144.0
116.63668060302734	192.0
116.71622467041016	144.0
117.05620574951172	156.0
117.07343292236328	172.0
117.40746307373047	176.0
117.59300231933594	168.0
117.69230651855469	156.0
117.75492858886719	308.0
118.05630493164062	216.0
118.2219009399414	144.0
118.53589630126953	188.0
118.80474853515625	160.0
119.0569076538086	320.0
119.43904876708984	180.0
119.77425384521484	168.0
120.02052307128906	144.0
120.05758666992188	148.0
120.59247589111328	228.0
121.45515441894531	148.0
121.82173156738281	164.0
122.53231811523438	208.0
122.83303833007812	164.0
122.96977233886719	156.0
123.01748657226562	152.0
123.18310546875	172.0
123.39083862304688	180.0
123.95303344726562	156.0
124.08586120605469	172.0
124.34188079833984	196.0
124.4587631225586	156.0
124.90323638916016	192.0
125.2227783203125	128.0
125.3566665649414	224.0
125.54244232177734	212.0
125.7298355102539	160.0
125.87271118164062	176.0
126.06928253173828	152.0
126.37479400634766	140.0
126.62410736083984	144.0
126.86385345458984	212.0
126.96699523925781	240.0
127.2497329711914	168.0
127.60246276855469	200.0
127.8678970336914	152.0
128.0615234375	356.0
128.5356903076172	168.0
128.7493896484375	140.0
129.04360961914062	576.0
129.07705688476562	200.0
129.13133239746094	152.0
129.17356872558594	148.0
129.19918823242188	168.0
129.53875732421875	168.0
129.6520538330078	248.0
129.8663330078125	208.0
129.93321228027344	152.0
130.01263427734375	144.0
130.05166625976562	1644.0
130.09661865234375	140.0
130.1326141357422	220.0
130.17608642578125	152.0
130.294189453125	272.0
130.53726196289062	144.0
130.63291931152344	152.0
130.75491333007812	136.0
130.97434997558594	172.0
131.0554656982422	320.0
131.49192810058594	160.0
131.52159118652344	144.0
132.5232391357422	192.0
132.69284057617188	156.0
133.0186004638672	160.0
133.05087280273438	468.0
133.0874786376953	216.0
133.31028747558594	200.0
133.8209228515625	160.0
133.96371459960938	212.0
134.00979614257812	172.0
134.0259246826172	208.0
134.0530242919922	232.0
134.4317626953125	256.0
134.57740783691406	120.0
135.013916015625	148.0
135.03240966796875	156.0
135.06710815429688	152.0
135.20823669433594	168.0
135.3533477783203	176.0
135.94287109375	140.0
136.1238250732422	176.0
136.30279541015625	144.0
136.39918518066406	144.0
136.66319274902344	180.0
136.6794891357422	180.0
136.70042419433594	148.0
136.87733459472656	152.0
137.0473175048828	124.0
137.15457153320312	204.0
137.54559326171875	160.0
137.74725341796875	224.0
137.78463745117188	156.0
138.00433349609375	216.0
138.51451110839844	208.0
138.93177795410156	160.0
139.18524169921875	140.0
139.31442260742188	172.0
139.457763671875	184.0
139.99819946289062	184.0
140.0601043701172	168.0
140.14962768554688	160.0
140.62362670898438	144.0
140.66375732421875	148.0
140.9329833984375	176.0
141.06024169921875	156.0
141.19300842285156	152.0
141.57638549804688	184.0
141.82752990722656	152.0
142.0750274658203	160.0
142.1026153564453	144.0
142.1192169189453	160.0
142.855712890625	148.0
143.03346252441406	204.0
143.072265625	136.0
143.1022186279297	172.0
143.2056121826172	144.0
144.11688232421875	160.0
144.32962036132812	216.0
144.50660705566406	176.0
144.53292846679688	176.0
144.71961975097656	140.0
144.8800811767578	148.0
145.04055786132812	112.0
145.11099243164062	172.0
145.13702392578125	156.0
145.647705078125	192.0
145.767822265625	140.0
146.0058135986328	160.0
146.183837890625	304.0
146.4703369140625	180.0
147.05624389648438	152.0
147.14556884765625	244.0
147.31944274902344	156.0
147.36776733398438	152.0
147.4910125732422	148.0
147.58287048339844	164.0
148.05715942382812	168.0
148.29904174804688	196.0
149.56976318359375	192.0
150.04373168945312	132.0
150.41070556640625	168.0
150.49615478515625	172.0
151.0501251220703	684.0
151.59666442871094	132.0
151.71453857421875	160.0
151.78073120117188	164.0
151.92544555664062	144.0
152.06137084960938	564.0
152.36734008789062	192.0
152.40664672851562	168.0
152.44595336914062	180.0
152.6475372314453	172.0
152.77789306640625	152.0
153.07005310058594	472.0
153.68821716308594	136.0
153.98817443847656	224.0
154.0390167236328	272.0
154.0723876953125	376.0
154.69781494140625	168.0
154.8186798095703	132.0
154.84390258789062	176.0
154.86866760253906	172.0
154.92010498046875	172.0
155.03961181640625	140.0
155.09910583496094	184.0
155.20074462890625	160.0
155.21810913085938	156.0
155.50836181640625	192.0
155.55551147460938	144.0
155.7417449951172	152.0
156.0250244140625	180.0
156.0802459716797	556.0
156.44688415527344	188.0
156.5325927734375	140.0
156.62973022460938	148.0
156.76918029785156	136.0
157.04092407226562	308.0
157.09046936035156	196.0
158.04757690429688	3064.0
158.64247131347656	164.0
158.95481872558594	172.0
159.0497283935547	556.0
159.10792541503906	200.0
159.17822265625	148.0
159.19580078125	160.0
159.46713256835938	244.0
159.76177978515625	236.0
160.03564453125	180.0
160.05760192871094	280.0
160.25729370117188	184.0
160.41102600097656	168.0
160.55978393554688	172.0
160.6657257080078	152.0
160.87770080566406	188.0
161.11004638671875	160.0
161.299560546875	180.0
161.3754119873047	176.0
161.76499938964844	176.0
161.90933227539062	180.0
162.03778076171875	468.0
162.16773986816406	160.0
162.7207489013672	160.0
164.0615997314453	768.0
164.22976684570312	192.0
164.64833068847656	228.0
165.04127502441406	652.0
165.0697021484375	816.0
165.1569366455078	296.0
165.20298767089844	164.0
165.48193359375	164.0
165.9713134765625	144.0
166.0775604248047	296.0
166.91624450683594	192.0
167.0191192626953	140.0
167.07493591308594	448.0
167.40516662597656	140.0
168.06405639648438	268.0
168.08062744140625	1260.0
168.23538208007812	168.0
168.4962158203125	180.0
168.66160583496094	168.0
168.78311157226562	164.0
168.87103271484375	144.0
169.0696258544922	184.0
169.14398193359375	140.0
169.9166717529297	152.0
170.01629638671875	144.0
170.10440063476562	164.0
170.20046997070312	192.0
170.28875732421875	160.0
170.73316955566406	184.0
171.45887756347656	132.0
171.51686096191406	192.0
171.67327880859375	192.0
171.7150115966797	148.0
171.93516540527344	176.0
172.07772827148438	148.0
173.94691467285156	152.0
174.03878784179688	176.0
174.20266723632812	140.0
174.5774688720703	148.0
175.02481079101562	172.0
175.04461669921875	160.0
175.5333709716797	184.0
175.59471130371094	184.0
176.04638671875	3064.0
176.15737915039062	148.0
176.5694122314453	148.0
177.04266357421875	632.0
177.08729553222656	156.0
177.41358947753906	172.0
177.6412811279297	188.0
178.0626220703125	424.0
178.11642456054688	140.0
178.27052307128906	188.0
178.39453125	164.0
178.75550842285156	148.0
179.04054260253906	176.0
179.07273864746094	3468.0
179.63636779785156	144.0
179.84716796875	172.0
179.9779815673828	140.0
180.08116149902344	44416.0
180.1435089111328	116.0
180.27427673339844	152.0
180.62472534179688	140.0
181.0853271484375	6848.0
181.8098907470703	152.0
181.90020751953125	208.0
182.0618133544922	192.0
182.08755493164062	432.0
182.1373748779297	152.0
182.28695678710938	176.0
182.36221313476562	152.0
182.62570190429688	248.0
183.06698608398438	120.0
183.09130859375	616.0
183.57098388671875	168.0
183.6053924560547	148.0
183.77059936523438	164.0
184.07623291015625	668.0
184.08731079101562	284.0
184.09567260742188	448.0
184.30250549316406	240.0
184.3727569580078	160.0
184.42315673828125	136.0
184.529541015625	148.0
184.705322265625	180.0
185.06808471679688	156.0
185.1031494140625	156.0
185.45263671875	144.0
185.6424102783203	148.0
186.05552673339844	184.0
186.34542846679688	148.0
186.9109649658203	200.0
187.0360107421875	1480.0
187.07699584960938	144.0
187.283935546875	180.0
188.0397186279297	224.0
188.10108947753906	152.0
188.29580688476562	140.0
188.5526123046875	156.0
188.63734436035156	160.0
189.0120391845703	152.0
190.0093536376953	160.0
190.03843688964844	160.0
190.06613159179688	2528.0
190.69117736816406	172.0
191.07223510742188	1628.0
191.1496124267578	240.0
191.1771240234375	152.0
191.796875	160.0
192.03944396972656	176.0
192.0814666748047	1600.0
192.14151000976562	156.0
192.45614624023438	152.0
192.5218048095703	144.0
192.6577606201172	144.0
193.0872802734375	1208.0
193.2825927734375	160.0
194.0925750732422	1392.0
194.2816162109375	104.0
194.7546844482422	172.0
194.84356689453125	184.0
194.99917602539062	156.0
195.069580078125	748.0
195.09088134765625	1756.0
195.54429626464844	160.0
195.61109924316406	208.0
196.0149383544922	140.0
196.07728576660156	3244.0
196.5419464111328	144.0
197.07679748535156	728.0
197.1021728515625	276.0
197.14901733398438	132.0
197.26808166503906	144.0
197.46058654785156	108.0
198.0818328857422	304.0
198.12237548828125	244.0
198.15802001953125	168.0
198.33689880371094	120.0
198.4339599609375	140.0
198.54653930664062	140.0
198.6184844970703	172.0
198.822998046875	132.0
199.0864715576172	140.0
199.1735382080078	256.0
199.39268493652344	192.0
199.76516723632812	160.0
199.8313446044922	212.0
199.87074279785156	152.0
199.90451049804688	220.0
200.6396484375	176.0
201.08815002441406	168.0
201.531494140625	160.0
202.43948364257812	160.0
202.48443603515625	136.0
203.32965087890625	140.0
203.5425567626953	156.0
204.0401153564453	508.0
204.41806030273438	148.0
204.66285705566406	140.0
204.7511444091797	148.0
204.97618103027344	160.0
205.03887939453125	148.0
205.07568359375	344.0
205.1329345703125	164.0
205.60812377929688	100.0
205.96043395996094	188.0
206.05967712402344	608.0
206.0825653076172	1636.0
206.58250427246094	168.0
206.6821746826172	132.0
206.77816772460938	188.0
206.88262939453125	208.0
206.92816162109375	208.0
207.03338623046875	160.0
207.09259033203125	43000.0
207.13912963867188	156.0
207.20323181152344	208.0
207.2552032470703	116.0
207.33375549316406	172.0
207.39419555664062	104.0
207.7449493408203	128.0
207.78106689453125	192.0
208.0336151123047	164.0
208.0980224609375	15856.0
208.3714599609375	136.0
209.10122680664062	1920.0
209.15231323242188	228.0
209.33029174804688	268.0
209.5272674560547	156.0
209.56813049316406	120.0
209.8864288330078	148.0
210.07627868652344	684.0
210.09475708007812	420.0
210.1041259765625	416.0
210.56747436523438	168.0
210.60203552246094	120.0
210.94577026367188	160.0
210.9835662841797	156.0
211.08790588378906	4004.0
211.33351135253906	152.0
211.40280151367188	144.0
212.0565643310547	168.0
212.0919189453125	1312.0
212.1386260986328	208.0
212.47792053222656	212.0
212.7942657470703	172.0
213.09584045410156	244.0
213.14280700683594	160.0
213.41603088378906	156.0
213.5838165283203	168.0
214.40284729003906	152.0
215.01235961914062	144.0
215.06639099121094	140.0
215.117431640625	164.0
215.6695098876953	160.0
215.91217041015625	156.0
216.0773468017578	188.0
216.85195922851562	188.0
217.07701110839844	504.0
217.52218627929688	128.0
217.57147216796875	168.0
217.64695739746094	164.0
217.77029418945312	204.0
217.90542602539062	184.0
217.98770141601562	164.0
218.08544921875	416.0
218.2169647216797	260.0
218.25811767578125	152.0
218.39759826660156	132.0
218.54049682617188	184.0
219.04391479492188	196.0
219.0674285888672	752.0
219.09046936035156	400.0
219.53456115722656	268.0
220.05328369140625	176.0
220.08636474609375	168.0
221.070556640625	412.0
221.26856994628906	184.0
221.7652587890625	152.0
222.07627868652344	144.0
222.3139190673828	172.0
222.47122192382812	140.0
222.69094848632812	168.0
222.85731506347656	212.0
223.08656311035156	2000.0
223.21409606933594	120.0
223.41326904296875	172.0
223.5054931640625	188.0
223.95501708984375	184.0
224.09385681152344	1032.0
224.61375427246094	160.0
225.09054565429688	516.0
225.93112182617188	236.0
226.06875610351562	148.0
226.0926971435547	156.0
228.3548126220703	140.0
228.97479248046875	140.0
229.0260009765625	160.0
229.3845672607422	140.0
229.49267578125	144.0
230.81259155273438	200.0
231.5115966796875	140.0
231.6509246826172	168.0
232.096435546875	172.0
233.03431701660156	140.0
233.6605224609375	124.0
233.83102416992188	200.0
233.93450927734375	164.0
234.07656860351562	424.0
234.22683715820312	236.0
234.52239990234375	160.0
234.74485778808594	128.0
234.950927734375	112.0
235.04998779296875	140.0
235.08692932128906	13148.0
235.31668090820312	200.0
235.41934204101562	152.0
235.47024536132812	148.0
235.6820526123047	176.0
235.787353515625	164.0
235.83790588378906	188.0
235.8837432861328	160.0
235.94468688964844	124.0
236.00772094726562	240.0
236.0948944091797	77228.0
236.1446533203125	424.0
236.1785125732422	172.0
236.300048828125	372.0
236.36715698242188	108.0
236.5123748779297	100.0
236.54840087890625	128.0
236.9866943359375	120.0
237.0983123779297	9776.0
237.1551055908203	136.0
237.41001892089844	192.0
237.72445678710938	220.0
237.77049255371094	156.0
238.09774780273438	1196.0
238.29794311523438	168.0
238.3993377685547	156.0
238.48190307617188	236.0
238.5702362060547	248.0
238.74046325683594	180.0
238.87852478027344	220.0
239.02120971679688	152.0
239.08187866210938	4372.0
239.46759033203125	108.0
239.49530029296875	164.0
239.606201171875	184.0
239.65200805664062	212.0
239.96302795410156	148.0
240.0885772705078	7820.0
240.26902770996094	144.0
240.3622589111328	112.0
241.0900421142578	1336.0
241.6995391845703	148.0
242.0948944091797	412.0
242.2816162109375	176.0
242.36021423339844	152.0
242.49851989746094	156.0
243.70565795898438	156.0
244.81556701660156	172.0
244.9625244140625	180.0
245.0186004638672	180.0
245.53819274902344	196.0
246.27259826660156	272.0
246.5319061279297	172.0
246.59127807617188	144.0
247.1541748046875	152.0
247.5391845703125	156.0
248.51715087890625	196.0
248.7776336669922	156.0
249.31158447265625	184.0
249.64166259765625	380.0
249.72657775878906	152.0
250.07139587402344	256.0
250.66787719726562	156.0
250.97047424316406	260.0
251.081787109375	4216.0
251.96466064453125	164.0
252.0875244140625	2516.0
252.1865234375	172.0
252.472412109375	180.0
252.5463104248047	140.0
253.08399963378906	840.0
253.2964630126953	212.0
253.74647521972656	244.0
253.86923217773438	160.0
253.92721557617188	176.0
254.0929718017578	2780.0
254.23495483398438	192.0
254.51063537597656	188.0
254.53651428222656	168.0
255.0955047607422	496.0
255.25376892089844	144.0
255.68919372558594	120.0
255.8591766357422	156.0
256.23358154296875	216.0
256.6780090332031	140.0
256.87255859375	152.0
257.4662170410156	196.0
258.05096435546875	148.0
258.5388488769531	168.0
258.6299743652344	212.0
258.7580261230469	304.0
259.562255859375	168.0
259.9118957519531	148.0
259.9920959472656	184.0
260.0181579589844	148.0
260.0703430175781	180.0
260.1493835449219	184.0
261.0007629394531	196.0
261.0650939941406	160.0
261.33526611328125	156.0
261.5573425292969	180.0
262.45758056640625	180.0
262.6980285644531	228.0
263.1078796386719	196.0
263.2467346191406	140.0
263.55682373046875	160.0
263.6085205078125	164.0
263.7261047363281	172.0
263.94793701171875	180.0
264.0771484375	184.0
264.4429016113281	200.0
264.5811462402344	192.0
264.60797119140625	172.0
264.6582946777344	236.0
265.08306884765625	504.0
265.4179992675781	192.0
266.219482421875	184.0
266.9036560058594	124.0
267.11328125	176.0
267.1620788574219	196.0
267.3299865722656	144.0
267.41778564453125	116.0
267.46978759765625	148.0
267.5855712890625	120.0
267.6751708984375	124.0
267.73529052734375	320.0
267.780517578125	196.0
267.8993835449219	172.0
267.9233703613281	188.0
267.9855041503906	224.0
268.0854187011719	132188.0
268.30035400390625	176.0
268.3474426269531	136.0
268.3596496582031	160.0
268.39349365234375	156.0
268.4272155761719	116.0
268.5786437988281	116.0
268.6669616699219	224.0
268.7405700683594	188.0
268.8070983886719	200.0
268.880859375	260.0
268.9698181152344	152.0
269.041748046875	232.0
269.0875549316406	19172.0
269.1824035644531	156.0
269.2632141113281	140.0
269.5362548828125	140.0
269.6685791015625	116.0
269.7970886230469	220.0
270.0888977050781	2296.0
270.1507263183594	108.0
270.387939453125	116.0
270.4745788574219	116.0
270.5572204589844	96.0
270.6688232421875	176.0
270.7160949707031	100.0
270.75079345703125	112.0
270.8671569824219	112.0
270.9300842285156	168.0
270.9569091796875	328.0
271.03228759765625	108.0
271.0756530761719	144.0
271.1010437011719	364.0
271.17840576171875	152.0
271.30755615234375	104.0
271.4579162597656	164.0
271.65533447265625	124.0
272.9859313964844	104.0
273.4051208496094	140.0
273.5762634277344	172.0
273.71783447265625	204.0
273.9582824707031	164.0
274.6439208984375	144.0
275.1488037109375	148.0
275.2412414550781	152.0
277.4149169921875	164.0
277.5176696777344	264.0
278.85546875	184.0
279.0967102050781	252.0
279.1546630859375	188.0
279.46881103515625	220.0
279.5289306640625	180.0
279.9300231933594	144.0
280.0723876953125	192.0
280.1510009765625	128.0
280.32977294921875	204.0
280.3993835449219	180.0
280.4635314941406	140.0
280.4858093261719	248.0
280.55523681640625	160.0
280.7030944824219	152.0
280.8406982421875	356.0
280.9478759765625	220.0
281.0326843261719	152.0
281.06036376953125	156.0
281.0917053222656	248.0
281.2101135253906	224.0
281.26593017578125	224.0
281.2894287109375	212.0
281.3296813964844	188.0
281.3956298828125	364.0
281.48046875	224.0
281.5122985839844	252.0
281.5478515625	336.0
281.6217956542969	272.0
281.6563720703125	172.0
281.6807556152344	224.0
281.739990234375	336.0
281.7719421386719	320.0
281.8100280761719	236.0
281.8323669433594	364.0
281.8591613769531	172.0
281.8977966308594	392.0
281.9254150390625	324.0
281.9499816894531	508.0
282.00439453125	340.0
282.012939453125	316.0
282.04888916015625	668.0
282.09033203125	232012.0
282.2102966308594	96.0
282.3268127441406	284.0
282.3997497558594	692.0
282.45928955078125	220.0
282.56634521484375	236.0
282.6015625	704.0
282.6405334472656	12948.0
282.716796875	196.0
282.7419128417969	212.0
282.8206787109375	152.0
282.8662109375	196.0
282.90277099609375	160.0
282.9471435546875	328.0
282.98663330078125	288.0
283.0275573730469	236.0
283.0916748046875	98116.0
283.21881103515625	144.0
283.2879638671875	132.0
283.3249816894531	140.0
283.375	216.0
283.419677734375	140.0
283.4743957519531	288.0
283.5355529785156	268.0
283.5692443847656	152.0
283.603271484375	172.0
283.64593505859375	264.0
283.7126159667969	160.0
283.764892578125	184.0
283.8776550292969	96.0
283.9374084472656	204.0
283.9827575683594	156.0
284.00701904296875	172.0
284.09295654296875	10364.0
284.1887512207031	316.0
284.2894592285156	172.0
284.33514404296875	144.0
284.4006042480469	124.0
284.4293212890625	284.0
284.4744873046875	164.0
284.5864562988281	176.0
284.6352844238281	100.0
284.6804504394531	236.0
284.7093505859375	192.0
284.7914733886719	284.0
284.81524658203125	296.0
284.8647766113281	240.0
284.8893737792969	176.0
284.9290466308594	276.0
284.99505615234375	260.0
285.0321044921875	248.0
285.0581970214844	392.0
285.09326171875	1136.0
285.15960693359375	312.0
285.1952209472656	160.0
285.246337890625	200.0
285.2845764160156	256.0
285.3188781738281	104.0
285.3714294433594	96.0
285.406982421875	180.0
285.4315490722656	164.0
285.751953125	96.0
286.177490234375	100.0
286.4507141113281	96.0
287.1082458496094	176.0
287.28851318359375	144.0
288.6388854980469	104.0
289.0048522949219	104.0
289.3300476074219	148.0
292.7235107421875	140.0
292.9359436035156	128.0
293.5367126464844	140.0
296.31231689453125	108.0
299.1568603515625	288.0
300.65069580078125	108.0
308.124755859375	120.0
413.6053466796875	96.0
462.2771911621094	168.0
465.1272888183594	172.0
474.9784851074219	152.0
482.89703369140625	156.0
771.5010375976562	168.0
1054.5142822265625	156.0
1338.8863525390625	164.0
1434.1787109375	140.0
1467.887451171875	128.0
1489.7060546875	224.0
1541.3612060546875	164.0
1588.36328125	160.0
1639.156005859375	156.0
1673.4835205078125	192.0
1680.2889404296875	196.0
1689.8397216796875	184.0
1731.7822265625	160.0
1764.0592041015625	192.0
1780.8427734375	164.0
1789.4200439453125	244.0
1793.2950439453125	176.0
1797.233154296875	184.0
1802.5106201171875	176.0
1812.1649169921875	196.0
1836.451904296875	172.0
1851.3311767578125	184.0
1853.1300048828125	180.0
1855.829833984375	144.0
1865.4451904296875	152.0
1867.0701904296875	192.0
1877.1112060546875	168.0
1880.8123779296875	228.0
1899.6241455078125	140.0
1911.2833251953125	180.0
1921.8961181640625	188.0
1922.3062744140625	140.0
1933.649658203125	160.0
1949.110107421875	164.0
1957.1143798828125	148.0
1966.458740234375	140.0
1972.7830810546875	152.0
1983.7069091796875	160.0
1984.371826171875	176.0
1992.7322998046875	244.0
1998.6094970703125	216.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078922
PEPMASS=222.161804
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=366-70-1 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CNNCc1ccc(cc1)C(=O)NC(C)C
INCHI=InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)
INCHIAUX=CPTBDICYNRMXFX-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078922
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078922
SCANS=987
60.04560089111328	196.0
66.55811309814453	192.0
77.44155883789062	228.0
80.5602035522461	216.0
82.34928131103516	180.0
89.0397720336914	160.0
91.05581665039062	320.0
92.94100952148438	164.0
93.06769561767578	152.0
94.6333236694336	160.0
105.05825805664062	576.0
106.06614685058594	648.0
107.06756591796875	160.0
109.23672485351562	160.0
117.0560531616211	184.0
118.0419921875	1376.0
118.84147644042969	176.0
119.04090881347656	196.0
119.61079406738281	148.0
122.05801391601562	912.0
123.06499481201172	304.0
123.67161560058594	196.0
129.07237243652344	148.0
131.06130981445312	156.0
132.04376220703125	172.0
133.0964813232422	180.0
134.0557098388672	196.0
134.94668579101562	160.0
135.06689453125	448.0
135.2034454345703	264.0
136.073974609375	320.0
137.04635620117188	156.0
137.07748413085938	140.0
141.95773315429688	184.0
147.0729522705078	140.0
148.0754852294922	220.0
148.11097717285156	332.0
149.07052612304688	1912.0
149.1123046875	156.0
150.0734405517578	152.0
158.1151123046875	256.0
160.9103240966797	140.0
161.11077880859375	128.0
162.97706604003906	180.0
173.1941375732422	176.0
175.09568786621094	252.0
176.10665893554688	2504.0
177.0579376220703	148.0
177.11460876464844	2556.0
178.11949157714844	868.0
179.1269989013672	196.0
179.3028564453125	156.0
180.0819091796875	144.0
180.9509735107422	140.0
182.1013641357422	232.0
189.10000610351562	120.0
190.76156616210938	204.0
191.11769104003906	5424.0
192.1201171875	880.0
193.1136016845703	192.0
216.95428466796875	172.0
222.1604766845703	3632.0
223.11708068847656	112.0
223.16737365722656	196.0
224.0590057373047	144.0
250.90394592285156	152.0
268.8299255371094	196.0
396.732421875	144.0
1450.45068359375	232.0
1548.83837890625	148.0
1602.4481201171875	164.0
1761.2576904296875	140.0
1787.01904296875	160.0
1831.3441162109375	152.0
1955.86181640625	144.0
1974.4251708984375	148.0
1983.9969482421875	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078923
PEPMASS=310.221069
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=BENPROPERINE PHOSPHATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(COc1ccccc1Cc2ccccc2)N3CCCCC3
INCHI=InChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3
INCHIAUX=JTUQXGZRVLWBCR-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078923
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078923
SCANS=1283
45.150596618652344	180.0
45.287113189697266	148.0
45.29648971557617	208.0
45.54867172241211	224.0
46.18895721435547	144.0
46.39750289916992	180.0
46.41377258300781	180.0
46.439537048339844	160.0
46.527740478515625	148.0
46.90592575073242	168.0
47.388343811035156	220.0
48.05379867553711	144.0
48.18772506713867	164.0
48.59477615356445	156.0
48.64057159423828	156.0
49.08299255371094	152.0
49.400028228759766	140.0
49.4839973449707	184.0
50.55661392211914	184.0
50.618900299072266	164.0
50.6613883972168	156.0
50.79958724975586	144.0
51.09438705444336	164.0
51.19260025024414	168.0
51.55351638793945	172.0
51.78528594970703	168.0
52.054901123046875	148.0
52.94612503051758	156.0
53.20132064819336	160.0
53.960872650146484	192.0
54.15644454956055	152.0
54.20039367675781	204.0
54.272216796875	176.0
54.433624267578125	168.0
54.527645111083984	192.0
54.69295883178711	172.0
55.00547409057617	176.0
55.23834228515625	144.0
55.375999450683594	144.0
55.59244918823242	184.0
55.733516693115234	200.0
56.01618957519531	152.0
56.1458625793457	176.0
56.668678283691406	180.0
57.437255859375	160.0
57.61991500854492	152.0
58.031585693359375	140.0
58.15446090698242	216.0
58.21822738647461	168.0
58.38843536376953	172.0
58.49951171875	188.0
59.26926040649414	180.0
59.3336296081543	236.0
59.5085334777832	140.0
59.523887634277344	156.0
59.79599380493164	160.0
60.16748046875	144.0
60.50760269165039	176.0
60.64547348022461	152.0
61.08023452758789	168.0
61.12224197387695	176.0
61.24211502075195	160.0
61.43852615356445	200.0
62.43944549560547	184.0
62.80642318725586	248.0
63.65154266357422	168.0
63.92813491821289	148.0
64.84963989257812	152.0
64.87849426269531	148.0
65.1031265258789	164.0
65.66802215576172	152.0
65.9792709350586	144.0
66.10260009765625	172.0
66.18515014648438	148.0
66.61168670654297	160.0
66.75145721435547	200.0
66.85882568359375	160.0
66.87347412109375	148.0
66.89137268066406	140.0
66.91416931152344	180.0
68.35291290283203	148.0
68.6329345703125	164.0
69.22283935546875	160.0
69.28909301757812	140.0
69.3752670288086	140.0
69.68229675292969	180.0
70.01497650146484	152.0
70.24999237060547	144.0
70.5372085571289	188.0
70.8032455444336	180.0
70.95907592773438	160.0
71.1172866821289	192.0
71.36370849609375	140.0
71.40070343017578	188.0
71.57908630371094	160.0
72.4473876953125	196.0
72.64046478271484	144.0
72.87474822998047	192.0
73.45435333251953	96.0
73.54912567138672	184.0
73.98503112792969	144.0
74.24375915527344	148.0
74.52699279785156	148.0
74.58587646484375	212.0
74.6473159790039	164.0
74.75979614257812	104.0
74.9554443359375	192.0
74.96923065185547	168.0
75.67069244384766	204.0
75.88362121582031	204.0
76.20818328857422	164.0
76.60484313964844	160.0
76.64317321777344	152.0
77.60626220703125	152.0
78.93391418457031	184.0
79.37305450439453	176.0
79.61616516113281	164.0
80.15338897705078	140.0
80.18547058105469	212.0
80.46373748779297	188.0
81.03605651855469	220.0
81.68414306640625	156.0
82.55889892578125	140.0
83.19124603271484	168.0
83.41104888916016	164.0
83.64752197265625	152.0
84.29680633544922	204.0
84.5107421875	208.0
84.60957336425781	148.0
85.29749298095703	156.0
86.01034545898438	188.0
86.27450561523438	192.0
86.3984146118164	180.0
86.67243194580078	140.0
86.9220962524414	248.0
87.26080322265625	172.0
87.35750579833984	248.0
87.39338684082031	168.0
87.84929656982422	228.0
88.08824157714844	168.0
88.16297912597656	168.0
88.464111328125	156.0
89.77106475830078	180.0
89.84725189208984	176.0
90.32707977294922	164.0
91.00933074951172	240.0
91.05492401123047	4220.0
91.26964569091797	164.0
91.64080047607422	160.0
91.93063354492188	152.0
92.0019302368164	136.0
92.05821228027344	220.0
92.12538146972656	212.0
92.27253723144531	196.0
92.38346099853516	176.0
92.74919891357422	140.0
93.30013275146484	156.0
93.64264678955078	216.0
94.03596496582031	148.0
94.10932159423828	188.0
94.43009948730469	220.0
94.56747436523438	236.0
94.89291381835938	180.0
95.00941467285156	112.0
95.23634338378906	176.0
95.3160400390625	164.0
95.50267028808594	192.0
96.07896423339844	408.0
96.19831085205078	152.0
96.34281921386719	152.0
96.68695068359375	144.0
96.72787475585938	132.0
96.8592529296875	176.0
97.08464050292969	152.0
97.24551391601562	152.0
97.75928497314453	104.0
98.09625244140625	652.0
98.42472076416016	140.0
99.24388885498047	224.0
99.41050720214844	216.0
99.58695983886719	100.0
100.49577331542969	176.0
100.76249694824219	172.0
100.94638061523438	184.0
101.59933471679688	208.0
101.66153717041016	172.0
101.85226440429688	140.0
102.32685852050781	196.0
102.861083984375	156.0
102.93376159667969	144.0
103.18025970458984	208.0
103.34610748291016	140.0
103.832275390625	152.0
103.94384765625	144.0
104.01488494873047	204.0
104.13264465332031	160.0
104.42124938964844	160.0
104.52296447753906	216.0
104.56773376464844	160.0
104.59012603759766	248.0
104.71025085449219	152.0
104.75302124023438	168.0
105.1514663696289	136.0
105.21798706054688	144.0
105.24861145019531	148.0
105.3302993774414	172.0
105.375244140625	140.0
106.02594757080078	160.0
106.10588836669922	152.0
106.90901184082031	144.0
107.04995727539062	3364.0
107.08812713623047	312.0
107.6346206665039	152.0
107.76001739501953	220.0
107.9507827758789	172.0
108.05175018310547	468.0
108.50569152832031	144.0
109.00175476074219	144.0
109.06787109375	172.0
109.32379913330078	184.0
109.6093521118164	140.0
110.09122467041016	148.0
110.77516174316406	172.0
111.07910919189453	200.0
111.1041030883789	592.0
111.16722869873047	156.0
111.2294921875	396.0
111.87133026123047	180.0
112.11224365234375	776.0
112.35181427001953	148.0
112.60541534423828	140.0
112.70651245117188	192.0
113.2586669921875	156.0
113.33094787597656	168.0
113.43242645263672	160.0
113.49178314208984	176.0
113.62203216552734	244.0
113.64025115966797	188.0
113.68693542480469	228.0
113.99485778808594	180.0
114.59489440917969	144.0
114.71210479736328	184.0
115.0512924194336	180.0
115.07477569580078	180.0
115.85713958740234	176.0
116.64614868164062	156.0
116.96989440917969	152.0
117.38786315917969	180.0
117.70507049560547	164.0
117.81737518310547	140.0
118.02053833007812	140.0
118.23252868652344	152.0
118.83275604248047	144.0
119.05133819580078	188.0
119.08600616455078	3400.0
119.11473083496094	144.0
119.27359771728516	208.0
119.67388153076172	176.0
119.85031127929688	160.0
119.92222595214844	184.0
120.08932495117188	592.0
120.37818145751953	160.0
120.67534637451172	204.0
120.88533020019531	172.0
121.0626449584961	300.0
121.13711547851562	200.0
121.24447631835938	152.0
121.36065673828125	140.0
121.4001235961914	140.0
121.49882507324219	156.0
121.61512756347656	172.0
121.85887908935547	140.0
122.3207015991211	184.0
122.4902572631836	176.0
122.80545806884766	148.0
123.35968780517578	156.0
123.7158432006836	144.0
123.73798370361328	160.0
123.81548309326172	228.0
124.08138275146484	204.0
124.11125946044922	1608.0
124.42747497558594	184.0
124.54739379882812	244.0
124.72515106201172	160.0
124.96977233886719	156.0
125.119140625	352.0
125.19682312011719	140.0
125.29483032226562	184.0
125.77873229980469	196.0
125.82765197753906	272.0
125.94173431396484	228.0
125.96766662597656	256.0
126.01322174072266	164.0
126.0342788696289	216.0
126.07151794433594	220.0
126.12850189208984	61800.0
126.15957641601562	256.0
126.18470001220703	204.0
126.23831939697266	136.0
126.31857299804688	156.0
126.42903900146484	196.0
126.47388458251953	248.0
126.58946228027344	96.0
126.7174301147461	148.0
126.75180053710938	200.0
127.08291625976562	156.0
127.13130950927734	3244.0
127.77920532226562	100.0
128.01852416992188	168.0
128.0566864013672	356.0
128.1365966796875	492.0
128.18972778320312	172.0
128.21282958984375	252.0
128.39712524414062	176.0
128.58212280273438	212.0
129.0692901611328	608.0
129.09719848632812	148.0
129.12208557128906	176.0
129.16957092285156	156.0
129.2283935546875	228.0
129.2623291015625	320.0
129.5294952392578	176.0
129.76971435546875	196.0
130.07264709472656	120.0
130.12461853027344	156.0
130.14407348632812	144.0
130.43032836914062	212.0
130.5555419921875	208.0
130.64862060546875	152.0
131.05615234375	164.0
131.08554077148438	1256.0
131.12313842773438	172.0
131.17922973632812	168.0
132.06060791015625	332.0
132.08663940429688	184.0
132.65594482421875	156.0
132.7705841064453	204.0
132.8816680908203	188.0
133.06256103515625	336.0
133.158447265625	140.0
133.7378387451172	184.0
135.04417419433594	132.0
135.17843627929688	128.0
135.591552734375	152.0
135.94496154785156	160.0
136.0778045654297	176.0
136.31419372558594	168.0
136.74354553222656	160.0
136.97726440429688	164.0
137.068115234375	108.0
138.17803955078125	144.0
138.2403564453125	152.0
138.3102264404297	140.0
138.94326782226562	216.0
140.2837371826172	148.0
141.07057189941406	584.0
141.39385986328125	152.0
141.54774475097656	216.0
141.78463745117188	144.0
142.2356719970703	96.0
142.46560668945312	160.0
143.14346313476562	192.0
144.080810546875	140.0
144.22265625	180.0
144.4561309814453	164.0
145.02601623535156	164.0
145.06704711914062	372.0
145.30418395996094	176.0
145.8369140625	180.0
146.25579833984375	160.0
147.08111572265625	2712.0
148.02059936523438	176.0
148.0546875	156.0
148.08297729492188	560.0
149.07098388671875	344.0
149.1949005126953	152.0
150.29087829589844	188.0
150.39825439453125	148.0
150.94793701171875	192.0
151.11634826660156	212.0
151.20480346679688	140.0
151.34434509277344	212.0
151.47903442382812	192.0
152.0355987548828	240.0
152.06471252441406	564.0
153.0692596435547	1128.0
153.38319396972656	224.0
153.65467834472656	216.0
153.7385711669922	144.0
154.04966735839844	160.0
154.0751495361328	444.0
154.52481079101562	124.0
154.90557861328125	140.0
155.08563232421875	2580.0
155.74148559570312	156.0
155.796142578125	204.0
155.8433380126953	172.0
156.0897979736328	824.0
156.47756958007812	156.0
156.87118530273438	140.0
157.1529998779297	176.0
157.38262939453125	152.0
157.73487854003906	176.0
157.87989807128906	148.0
158.31533813476562	160.0
158.73348999023438	120.0
159.8466033935547	180.0
160.15878295898438	160.0
160.17922973632812	176.0
162.06793212890625	168.0
162.09442138671875	212.0
162.7154083251953	140.0
163.2057647705078	208.0
163.90318298339844	212.0
164.06228637695312	132.0
164.09689331054688	216.0
164.2473602294922	164.0
164.27796936035156	180.0
165.01844787597656	160.0
165.07022094726562	3120.0
165.16506958007812	128.0
165.8022003173828	152.0
165.91720581054688	144.0
165.9749755859375	120.0
166.07455444335938	824.0
166.26605224609375	148.0
166.55874633789062	168.0
166.6358184814453	204.0
166.7266387939453	196.0
167.08506774902344	1592.0
167.59034729003906	260.0
168.0881805419922	164.0
168.1163787841797	204.0
169.06224060058594	352.0
169.106201171875	148.0
169.1683349609375	152.0
169.85243225097656	204.0
169.9510040283203	144.0
170.7039031982422	264.0
171.2273712158203	236.0
172.7176971435547	156.0
173.60816955566406	156.0
173.93875122070312	200.0
175.13796997070312	100.0
175.22206115722656	160.0
175.266845703125	144.0
175.46188354492188	168.0
175.9406280517578	116.0
176.10606384277344	504.0
176.8328399658203	168.0
177.0817108154297	204.0
177.11517333984375	804.0
178.4164276123047	172.0
178.8739776611328	144.0
179.48406982421875	168.0
179.57473754882812	176.0
180.0818328857422	172.0
181.06495666503906	828.0
181.5377197265625	160.0
181.97776794433594	156.0
182.0707550048828	600.0
182.197998046875	236.0
182.62539672851562	172.0
182.76260375976562	176.0
182.9052276611328	168.0
183.08041381835938	11648.0
183.1221923828125	196.0
183.306640625	152.0
183.4463348388672	96.0
183.5787811279297	216.0
183.67587280273438	144.0
184.0186004638672	208.0
184.08482360839844	1496.0
184.4724578857422	140.0
184.5670928955078	152.0
184.84970092773438	172.0
185.07789611816406	128.0
185.1856231689453	120.0
185.206298828125	180.0
185.2332305908203	240.0
185.28431701660156	144.0
185.32102966308594	160.0
185.85911560058594	168.0
185.8889617919922	184.0
185.907958984375	200.0
185.932373046875	156.0
186.2609100341797	148.0
187.1855926513672	208.0
187.60789489746094	152.0
188.42669677734375	144.0
189.40321350097656	144.0
189.6278839111328	176.0
189.71286010742188	228.0
190.2834930419922	208.0
190.4235382080078	196.0
190.72576904296875	172.0
191.01998901367188	144.0
191.1217803955078	168.0
191.44659423828125	200.0
191.63941955566406	156.0
191.67874145507812	116.0
191.72483825683594	204.0
191.76893615722656	172.0
192.0998077392578	168.0
192.46963500976562	164.0
192.5469512939453	140.0
192.96658325195312	140.0
193.0750274658203	736.0
193.43727111816406	184.0
194.0793914794922	288.0
195.07391357421875	160.0
196.048583984375	168.0
196.0926513671875	156.0
196.23202514648438	168.0
196.77886962890625	212.0
197.0487518310547	152.0
197.09442138671875	192.0
197.25167846679688	128.0
197.6278076171875	140.0
198.8365936279297	144.0
199.30685424804688	224.0
199.7003631591797	168.0
200.01112365722656	152.0
200.0570831298828	136.0
200.61676025390625	148.0
200.78353881835938	136.0
201.14144897460938	140.0
201.3306121826172	176.0
202.20135498046875	220.0
202.75927734375	216.0
202.8584747314453	164.0
203.02859497070312	176.0
203.62742614746094	212.0
203.8887939453125	184.0
204.0934600830078	144.0
205.75735473632812	156.0
205.78305053710938	140.0
206.231201171875	132.0
206.29220581054688	140.0
206.62615966796875	160.0
206.7434844970703	140.0
207.34774780273438	180.0
207.76351928710938	148.0
207.98126220703125	132.0
208.0906982421875	156.0
209.0093536376953	212.0
210.13414001464844	140.0
210.3881072998047	140.0
210.499267578125	208.0
210.56712341308594	180.0
210.60755920410156	196.0
210.9482421875	200.0
211.18563842773438	192.0
211.6878662109375	212.0
212.3408966064453	152.0
213.098876953125	140.0
213.97378540039062	112.0
214.44329833984375	172.0
215.3974151611328	140.0
215.46751403808594	168.0
216.05807495117188	184.0
216.41806030273438	180.0
216.80764770507812	244.0
216.9043731689453	184.0
217.60255432128906	140.0
217.81509399414062	204.0
218.15257263183594	228.0
218.3783416748047	184.0
218.55484008789062	244.0
218.8138427734375	172.0
218.884521484375	160.0
219.1024627685547	176.0
219.6950225830078	148.0
219.78648376464844	164.0
219.95469665527344	176.0
220.1052703857422	148.0
220.7642364501953	176.0
220.8862762451172	228.0
221.10345458984375	216.0
222.32244873046875	184.0
223.14820861816406	172.0
223.23741149902344	148.0
223.62118530273438	168.0
223.83255004882812	180.0
224.14532470703125	188.0
224.1751251220703	164.0
224.23753356933594	144.0
224.3599090576172	156.0
224.55075073242188	144.0
224.83416748046875	144.0
225.05865478515625	100.0
225.12945556640625	176.0
225.44293212890625	104.0
226.0923309326172	204.0
226.12225341796875	144.0
226.53846740722656	144.0
227.83441162109375	148.0
228.1409454345703	140.0
228.8389129638672	156.0
229.02603149414062	176.0
229.27870178222656	160.0
229.36309814453125	156.0
229.4625701904297	188.0
229.94822692871094	188.0
230.74569702148438	140.0
230.95736694335938	176.0
231.1025848388672	204.0
231.39312744140625	140.0
232.08999633789062	196.0
232.4418487548828	152.0
233.13723754882812	148.0
233.79107666015625	208.0
233.84280395507812	140.0
234.61346435546875	164.0
234.85130310058594	140.0
235.12110900878906	236.0
235.626953125	128.0
235.67250061035156	172.0
235.94906616210938	236.0
236.1309051513672	160.0
236.69410705566406	140.0
236.77679443359375	144.0
237.0095977783203	156.0
237.4541015625	152.0
238.08938598632812	168.0
239.5380401611328	152.0
239.6643524169922	208.0
240.11636352539062	152.0
240.1853485107422	184.0
240.40158081054688	140.0
241.1054229736328	152.0
241.60324096679688	176.0
241.83531188964844	168.0
242.1728057861328	216.0
242.73062133789062	152.0
242.79884338378906	140.0
242.926025390625	188.0
243.21046447753906	144.0
244.43186950683594	164.0
244.84376525878906	144.0
245.0618133544922	180.0
245.37660217285156	220.0
245.52859497070312	172.0
247.36032104492188	172.0
248.10275268554688	176.0
248.64854431152344	144.0
248.80548095703125	144.0
248.93421936035156	156.0
249.27346801757812	144.0
250.09820556640625	148.0
250.2139129638672	144.0
250.26429748535156	148.0
250.77462768554688	144.0
251.10157775878906	216.0
251.30125427246094	164.0
251.5032196044922	160.0
252.87811279296875	152.0
253.03955078125	324.0
253.36419677734375	188.0
254.13131713867188	120.0
254.4830322265625	140.0
255.0179901123047	160.0
255.15567016601562	160.0
255.4132537841797	160.0
255.6009521484375	168.0
256.03387451171875	220.0
256.10076904296875	156.0
256.9742126464844	220.0
257.2295227050781	184.0
257.68939208984375	152.0
257.91949462890625	184.0
258.4631652832031	184.0
258.51434326171875	216.0
259.2957458496094	160.0
260.28466796875	180.0
260.4508056640625	144.0
260.72711181640625	144.0
261.8885498046875	208.0
261.9239807128906	220.0
262.10760498046875	192.0
262.2171936035156	144.0
262.8492431640625	200.0
263.11700439453125	96.0
264.0276794433594	176.0
264.65936279296875	148.0
265.3689270019531	176.0
265.48565673828125	172.0
265.6121520996094	200.0
266.1355285644531	260.0
266.1995849609375	204.0
266.85546875	144.0
267.0217590332031	156.0
267.051025390625	164.0
267.1208190917969	192.0
267.3433532714844	156.0
267.4463195800781	128.0
267.7768249511719	152.0
268.1556701660156	116.0
268.8070068359375	148.0
268.902587890625	152.0
269.06024169921875	136.0
269.18890380859375	196.0
269.5221862792969	164.0
270.4541320800781	176.0
271.132080078125	184.0
271.29925537109375	192.0
272.08331298828125	160.0
272.5891418457031	228.0
272.6417236328125	184.0
273.2532958984375	160.0
273.63507080078125	140.0
273.76348876953125	156.0
274.5511169433594	140.0
274.67205810546875	172.0
274.7818603515625	172.0
275.3497619628906	160.0
275.7062683105469	180.0
276.0569763183594	168.0
277.3282775878906	176.0
278.1309509277344	160.0
278.9059753417969	208.0
279.1083984375	164.0
279.1425476074219	184.0
280.1027526855469	156.0
280.95947265625	176.0
280.99615478515625	164.0
281.3565979003906	232.0
281.9010314941406	152.0
282.12152099609375	600.0
283.1322021484375	168.0
283.74530029296875	216.0
284.1041259765625	172.0
285.1450500488281	204.0
285.2425231933594	148.0
285.3526916503906	188.0
285.77386474609375	168.0
287.2292175292969	212.0
288.10687255859375	152.0
288.4684753417969	160.0
288.6341247558594	180.0
288.7254333496094	172.0
288.7660217285156	224.0
288.8133850097656	140.0
289.3852844238281	176.0
290.2391052246094	192.0
290.3472900390625	204.0
290.4900817871094	168.0
290.7309875488281	152.0
292.01177978515625	176.0
292.1240234375	164.0
292.2090759277344	168.0
292.2601013183594	152.0
292.5017395019531	172.0
293.3294677734375	160.0
293.5885925292969	176.0
294.0047912597656	180.0
294.1925048828125	164.0
294.91326904296875	168.0
295.48773193359375	152.0
295.69647216796875	152.0
295.9516296386719	140.0
296.3334045410156	152.0
296.8441162109375	180.0
297.0558166503906	148.0
297.14569091796875	1108.0
297.3930358886719	180.0
297.571533203125	164.0
298.0740051269531	216.0
298.1557312011719	220.0
298.57489013671875	184.0
298.6138610839844	132.0
298.7193603515625	152.0
298.7537536621094	176.0
299.1211853027344	144.0
299.90386962890625	176.0
301.77142333984375	148.0
302.5533142089844	160.0
302.84765625	140.0
304.0403137207031	156.0
304.6313781738281	188.0
304.7178955078125	144.0
305.22137451171875	140.0
305.6109619140625	156.0
306.1539611816406	196.0
306.51556396484375	184.0
306.94647216796875	172.0
307.3059387207031	200.0
307.3735656738281	148.0
307.468017578125	112.0
307.59893798828125	140.0
307.6628112792969	316.0
307.72308349609375	196.0
307.79290771484375	152.0
307.8616027832031	168.0
308.0158996582031	128.0
308.1132507324219	156.0
308.1757507324219	1096.0
308.3251647949219	160.0
308.6054382324219	108.0
308.6668395996094	228.0
308.7254943847656	124.0
308.8266906738281	140.0
308.89263916015625	204.0
308.923583984375	224.0
308.9869384765625	248.0
309.048095703125	132.0
309.10321044921875	224.0
309.1335754394531	316.0
309.18536376953125	144.0
309.2513732910156	228.0
309.3163757324219	292.0
309.3744201660156	372.0
309.42193603515625	236.0
309.4463195800781	116.0
309.47845458984375	280.0
309.57672119140625	276.0
309.6221008300781	224.0
309.66619873046875	240.0
309.7240905761719	284.0
309.77294921875	348.0
309.8033142089844	152.0
309.84307861328125	248.0
309.89617919921875	312.0
309.9336853027344	236.0
309.97698974609375	384.0
310.0248718261719	232.0
310.0751953125	268.0
310.1109924316406	288.0
310.17144775390625	996.0
310.21923828125	243336.0
310.3480529785156	160.0
310.4208068847656	128.0
310.4659118652344	168.0
310.4771728515625	268.0
310.5457458496094	932.0
310.58258056640625	464.0
310.63330078125	520.0
310.6890869140625	200.0
310.7547607421875	1328.0
310.79742431640625	13996.0
310.83404541015625	380.0
310.8892517089844	420.0
310.9853210449219	256.0
311.03802490234375	152.0
311.06292724609375	312.0
311.11175537109375	404.0
311.177001953125	492.0
311.2211608886719	128604.0
311.3562927246094	188.0
311.3901672363281	252.0
311.4359436035156	204.0
311.61053466796875	304.0
311.706298828125	212.0
311.7989196777344	508.0
311.8758544921875	212.0
311.92218017578125	152.0
311.97027587890625	156.0
312.0224304199219	104.0
312.08056640625	952.0
312.2234191894531	17476.0
312.3148498535156	144.0
312.432861328125	100.0
312.4632568359375	104.0
312.5060729980469	184.0
312.6332092285156	124.0
312.7173767089844	156.0
312.75628662109375	108.0
312.7709655761719	148.0
312.8082275390625	112.0
312.81982421875	220.0
312.8736572265625	204.0
312.92919921875	152.0
313.03033447265625	160.0
313.0833435058594	516.0
313.14178466796875	496.0
313.22613525390625	876.0
313.3050842285156	632.0
313.3587341308594	308.0
313.4081726074219	216.0
313.4373779296875	420.0
313.47039794921875	244.0
313.5406494140625	236.0
313.59661865234375	180.0
313.83685302734375	176.0
313.95892333984375	100.0
314.0061340332031	140.0
314.05072021484375	188.0
314.09503173828125	160.0
314.1455993652344	340.0
314.2366638183594	168.0
314.2790222167969	116.0
314.337646484375	184.0
314.364990234375	96.0
314.51800537109375	296.0
314.57525634765625	172.0
314.60211181640625	180.0
314.6960754394531	152.0
314.77679443359375	104.0
315.015869140625	104.0
315.0811767578125	200.0
315.25640869140625	104.0
315.9287414550781	104.0
315.958740234375	96.0
318.04034423828125	100.0
323.2178955078125	120.0
324.2362976074219	100.0
324.3238220214844	116.0
325.2821044921875	100.0
325.5554504394531	120.0
325.8133544921875	148.0
327.10272216796875	752.0
327.6908264160156	96.0
328.1107177734375	424.0
329.33111572265625	148.0
369.1769104003906	140.0
401.3003234863281	160.0
407.1822204589844	476.0
423.7333984375	148.0
479.55621337890625	152.0
480.1796569824219	160.0
484.1791076660156	96.0
489.2676086425781	160.0
511.95037841796875	140.0
1060.914306640625	156.0
1131.8548583984375	152.0
1140.509033203125	160.0
1145.9735107421875	268.0
1219.498046875	168.0
1231.6356201171875	188.0
1235.34033203125	176.0
1237.7899169921875	176.0
1243.7701416015625	180.0
1278.729248046875	172.0
1282.839111328125	160.0
1299.4952392578125	160.0
1341.857177734375	188.0
1365.663818359375	152.0
1368.5338134765625	148.0
1382.4700927734375	228.0
1386.1949462890625	168.0
1392.3819580078125	144.0
1414.1746826171875	192.0
1423.0804443359375	156.0
1433.6715087890625	156.0
1440.809326171875	200.0
1443.10693359375	208.0
1458.625244140625	156.0
1463.410400390625	164.0
1471.7899169921875	148.0
1492.9625244140625	160.0
1495.509033203125	204.0
1500.3079833984375	164.0
1501.8348388671875	164.0
1503.4317626953125	156.0
1506.7442626953125	200.0
1515.177001953125	180.0
1530.2440185546875	256.0
1539.070068359375	216.0
1542.601318359375	200.0
1545.7845458984375	180.0
1573.570068359375	204.0
1578.9354248046875	144.0
1588.82080078125	172.0
1590.574462890625	168.0
1591.5589599609375	268.0
1592.5675048828125	196.0
1593.377685546875	144.0
1594.92724609375	224.0
1604.4239501953125	196.0
1605.6439208984375	220.0
1608.8914794921875	192.0
1610.975830078125	168.0
1615.932373046875	184.0
1636.9219970703125	188.0
1653.6168212890625	156.0
1655.00927734375	204.0
1656.8583984375	216.0
1657.9334716796875	160.0
1667.4937744140625	284.0
1688.4873046875	172.0
1691.8994140625	156.0
1694.7659912109375	152.0
1697.2413330078125	172.0
1710.657470703125	180.0
1715.5672607421875	180.0
1719.7244873046875	156.0
1729.1217041015625	152.0
1764.8421630859375	212.0
1779.2108154296875	172.0
1781.360595703125	240.0
1782.091552734375	220.0
1789.888671875	148.0
1792.2554931640625	208.0
1793.6376953125	188.0
1793.8062744140625	172.0
1797.829345703125	156.0
1800.091796875	172.0
1806.709716796875	204.0
1810.958984375	140.0
1819.8717041015625	188.0
1828.040283203125	156.0
1833.04736328125	192.0
1834.0189208984375	144.0
1851.64501953125	168.0
1855.5267333984375	196.0
1870.3193359375	192.0
1871.3265380859375	140.0
1882.33740234375	160.0
1889.88330078125	168.0
1914.6229248046875	176.0
1917.8204345703125	148.0
1919.2850341796875	168.0
1920.9158935546875	152.0
1926.1009521484375	184.0
1931.6165771484375	220.0
1942.110107421875	148.0
1942.695068359375	140.0
1956.4420166015625	180.0
1969.0865478515625	152.0
1973.0628662109375	144.0
1975.804443359375	152.0
1977.8050537109375	212.0
1979.2650146484375	204.0
1983.260498046875	168.0
1994.017578125	152.0
1998.5172119140625	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078924
PEPMASS=157.078369
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=OLANZAPINE [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCN(CC1)C2=Nc3ccccc3Nc4sc(C)cc24
INCHI=InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
INCHIAUX=KVWDHTXUZHCGIO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078924
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078924
SCANS=1002
47.95452117919922	244.0
48.11039352416992	188.0
48.549015045166016	204.0
48.963157653808594	180.0
49.06348419189453	184.0
51.01333999633789	148.0
51.17979431152344	196.0
51.6765022277832	148.0
51.849769592285156	144.0
53.85515213012695	220.0
53.8770637512207	160.0
53.99107360839844	140.0
54.743919372558594	164.0
54.76748275756836	220.0
55.43971633911133	200.0
56.384742736816406	160.0
57.87856674194336	168.0
58.04069519042969	140.0
59.1972770690918	188.0
61.20329284667969	196.0
62.24459457397461	172.0
62.68031692504883	160.0
62.967430114746094	224.0
63.58170700073242	160.0
65.21239471435547	180.0
65.42955017089844	184.0
65.84395599365234	208.0
66.42015838623047	176.0
68.08004760742188	176.0
68.62305450439453	164.0
68.71046447753906	168.0
68.7286148071289	144.0
70.8836669921875	152.0
71.64310455322266	256.0
71.98380279541016	228.0
72.38117980957031	164.0
72.54552459716797	164.0
75.35749053955078	148.0
75.44390106201172	212.0
75.47847747802734	192.0
75.53728485107422	152.0
75.94086456298828	184.0
76.28640747070312	140.0
77.40127563476562	144.0
78.7677993774414	184.0
79.34293365478516	236.0
80.20509338378906	148.0
80.65669250488281	152.0
84.5821304321289	184.0
84.71397399902344	164.0
85.05504608154297	172.0
85.79085540771484	152.0
86.03067779541016	148.0
86.90792846679688	200.0
86.9394760131836	188.0
87.70014953613281	148.0
89.20323181152344	152.0
90.19095611572266	144.0
90.4463119506836	148.0
92.06810760498047	264.0
93.67156219482422	212.0
94.20977020263672	140.0
94.4726791381836	244.0
94.7650146484375	152.0
95.44435119628906	128.0
95.64083862304688	216.0
97.29657745361328	176.0
97.96914672851562	200.0
98.11498260498047	216.0
99.09217834472656	680.0
100.06049346923828	156.0
100.0921630859375	172.0
100.83645629882812	140.0
101.02240753173828	208.0
101.0372085571289	312.0
101.1080322265625	15012.0
101.26060485839844	168.0
102.03314971923828	148.0
102.04637908935547	172.0
102.1111068725586	676.0
102.21819305419922	148.0
103.05497741699219	208.0
103.11964416503906	184.0
105.73925018310547	224.0
106.04032135009766	212.0
106.8665771484375	208.0
109.01177978515625	128.0
109.35531616210938	160.0
110.0453109741211	188.0
111.10430908203125	156.0
111.28269958496094	144.0
111.4087142944336	180.0
113.03852081298828	156.0
113.23328399658203	144.0
114.03526306152344	160.0
114.1224136352539	188.0
115.0537109375	2300.0
115.89398193359375	184.0
116.0574722290039	292.0
116.55055236816406	176.0
116.98068237304688	252.0
117.05819702148438	148.0
117.32536315917969	140.0
117.52593994140625	144.0
117.68350219726562	188.0
118.07049560546875	220.0
119.05635833740234	172.0
119.53243255615234	168.0
120.000732421875	164.0
121.81936645507812	156.0
122.02391815185547	204.0
122.54756927490234	140.0
123.22711181640625	148.0
123.7734375	180.0
124.01490783691406	160.0
125.39067077636719	152.0
126.0460205078125	148.0
127.04113006591797	416.0
127.53933715820312	328.0
128.0471649169922	400.0
128.51219177246094	140.0
128.5487518310547	236.0
128.94891357421875	204.0
129.04547119140625	180.0
129.43212890625	168.0
129.92396545410156	168.0
130.86257934570312	204.0
131.05857849121094	160.0
132.0446319580078	156.0
132.9977569580078	140.0
133.03448486328125	188.0
133.2067108154297	184.0
134.00729370117188	196.0
134.03829956054688	180.0
134.54698181152344	216.0
135.39788818359375	176.0
135.555419921875	204.0
136.02012634277344	344.0
136.607177734375	196.0
136.7723846435547	200.0
137.0168914794922	152.0
138.06727600097656	224.0
139.18270874023438	248.0
139.2108917236328	192.0
140.05154418945312	984.0
140.54684448242188	300.0
140.58802795410156	204.0
141.05577087402344	360.0
141.55250549316406	168.0
141.9174041748047	180.0
142.0669403076172	1384.0
142.1118927001953	248.0
143.06344604492188	484.0
144.0469970703125	192.0
144.97811889648438	176.0
144.99534606933594	148.0
145.01268005371094	124.0
146.0182342529297	984.0
146.062255859375	168.0
147.01388549804688	468.0
148.01083374023438	168.0
148.90821838378906	148.0
149.05882263183594	152.0
150.01516723632812	260.0
150.03726196289062	168.0
150.88441467285156	192.0
151.04336547851562	152.0
151.4349822998047	156.0
151.9963836669922	176.0
152.0501251220703	1164.0
153.05494689941406	656.0
154.06419372558594	836.0
154.81643676757812	144.0
154.89321899414062	184.0
155.06045532226562	928.0
156.07037353515625	976.0
156.08946228027344	172.0
156.9495086669922	172.0
157.07826232910156	21148.0
157.1230926513672	140.0
157.5785675048828	3340.0
157.75991821289062	164.0
158.0230712890625	196.0
158.0787353515625	664.0
158.5777130126953	200.0
159.0154266357422	252.0
159.25836181640625	156.0
159.36219787597656	120.0
159.76864624023438	160.0
160.02284240722656	140.0
161.0289764404297	160.0
161.0491943359375	176.0
161.30691528320312	212.0
162.01751708984375	164.0
162.55807495117188	144.0
163.03294372558594	164.0
164.04339599609375	180.0
164.2984161376953	152.0
164.6353302001953	168.0
165.01861572265625	188.0
165.04507446289062	196.0
165.10812377929688	228.0
166.04763793945312	108.0
166.0785369873047	172.0
167.060302734375	816.0
167.09091186523438	224.0
168.0681915283203	1928.0
168.9484100341797	196.0
169.07565307617188	14236.0
169.7150115966797	176.0
170.00650024414062	732.0
170.05699157714844	388.0
170.0787811279297	1860.0
171.01380920410156	1040.0
171.0688934326172	432.0
171.42279052734375	144.0
172.02581787109375	384.0
172.58697509765625	168.0
172.9898681640625	148.0
173.02239990234375	1220.0
173.41419982910156	224.0
174.02198791503906	556.0
175.0071563720703	164.0
175.0298309326172	176.0
176.03713989257812	148.0
177.0393829345703	180.0
177.63307189941406	156.0
178.00917053222656	192.0
179.06031799316406	6848.0
180.02847290039062	180.0
180.0689239501953	9844.0
181.0728759765625	1840.0
181.4412384033203	160.0
181.9456024169922	160.0
182.0767822265625	324.0
182.23446655273438	108.0
183.08949279785156	124.0
184.01663208007812	156.0
185.02883911132812	1144.0
185.27894592285156	140.0
186.03738403320312	7980.0
186.0861053466797	188.0
186.11122131347656	272.0
187.04119873046875	1232.0
187.3694305419922	124.0
188.03570556640625	612.0
188.08018493652344	160.0
188.5219268798828	148.0
189.0267333984375	188.0
190.02554321289062	272.0
192.02394104003906	160.0
192.155029296875	244.0
192.77352905273438	144.0
194.02183532714844	148.0
194.0693359375	204.0
194.20761108398438	156.0
195.09315490722656	132.0
196.0221710205078	436.0
196.08990478515625	204.0
196.97998046875	232.0
197.01638793945312	952.0
197.08399963378906	120.0
197.49566650390625	172.0
197.68453979492188	140.0
197.95606994628906	144.0
197.9934539794922	140.0
198.02516174316406	34920.0
198.07192993164062	144.0
198.38661193847656	120.0
198.50367736816406	152.0
198.94580078125	184.0
199.02818298339844	2608.0
199.063720703125	156.0
199.29405212402344	184.0
199.40464782714844	112.0
200.02236938476562	1020.0
201.02392578125	460.0
202.05279541015625	132.0
202.79049682617188	252.0
203.0050811767578	168.0
203.0585479736328	140.0
203.70130920410156	148.0
205.977294921875	228.0
206.07830810546875	156.0
207.07960510253906	308.0
208.08863830566406	288.0
209.0963134765625	272.0
210.02685546875	140.0
210.09695434570312	324.0
211.0322265625	2484.0
211.0960235595703	160.0
211.7534942626953	156.0
211.9832305908203	172.0
212.0396270751953	6428.0
212.3238983154297	196.0
212.54513549804688	164.0
212.74639892578125	144.0
212.9451446533203	136.0
212.98739624023438	132.0
213.049072265625	51652.0
213.39698791503906	116.0
213.5260467529297	580.0
213.86082458496094	164.0
213.94815063476562	200.0
214.0508270263672	7212.0
214.3009490966797	120.0
214.4154052734375	136.0
214.79197692871094	96.0
215.04490661621094	3468.0
215.3428497314453	172.0
215.4068145751953	140.0
215.61209106445312	96.0
215.7479248046875	120.0
216.04824829101562	536.0
217.0142822265625	164.0
219.07305908203125	160.0
221.0936737060547	392.0
222.10333251953125	204.0
223.1082763671875	140.0
224.0373077392578	104.0
224.1187286376953	160.0
225.04786682128906	196.0
226.05441284179688	284.0
227.04736328125	140.0
228.06124877929688	528.0
229.06402587890625	452.0
230.07203674316406	140.0
231.06593322753906	156.0
236.1161346435547	108.0
238.04029846191406	152.0
238.06793212890625	204.0
240.05398559570312	248.0
241.0680389404297	148.0
242.07237243652344	712.0
253.0675811767578	164.0
254.0745849609375	300.0
255.06353759765625	152.0
256.0922546386719	444.0
256.1422424316406	140.0
257.09112548828125	136.0
268.0961608886719	148.0
1232.949462890625	188.0
1380.140380859375	248.0
1418.6768798828125	140.0
1437.140380859375	188.0
1452.384033203125	156.0
1452.7557373046875	152.0
1477.3924560546875	148.0
1498.142822265625	204.0
1498.458740234375	156.0
1503.94921875	168.0
1508.2205810546875	160.0
1522.0570068359375	168.0
1536.791259765625	148.0
1562.607421875	156.0
1567.583740234375	144.0
1579.0465087890625	216.0
1589.2574462890625	168.0
1590.455810546875	164.0
1611.3916015625	148.0
1635.1834716796875	176.0
1639.86279296875	228.0
1659.3118896484375	164.0
1666.9903564453125	172.0
1670.2911376953125	140.0
1673.4893798828125	144.0
1691.3349609375	188.0
1695.8890380859375	140.0
1715.138916015625	164.0
1715.5758056640625	144.0
1716.1612548828125	212.0
1717.7940673828125	176.0
1718.619140625	140.0
1724.407958984375	220.0
1737.093017578125	252.0
1739.0096435546875	180.0
1742.0819091796875	192.0
1747.3526611328125	216.0
1756.2576904296875	216.0
1771.102294921875	168.0
1772.6522216796875	152.0
1782.226318359375	184.0
1782.705322265625	168.0
1804.80712890625	148.0
1848.2127685546875	156.0
1849.71044921875	168.0
1854.292724609375	200.0
1860.125244140625	248.0
1869.21826171875	252.0
1878.4185791015625	168.0
1879.9207763671875	168.0
1884.436767578125	184.0
1886.7529296875	192.0
1893.138427734375	200.0
1899.1357421875	212.0
1906.4024658203125	144.0
1921.5357666015625	248.0
1931.417724609375	224.0
1939.8570556640625	204.0
1956.63623046875	184.0
1961.4813232421875	156.0
1966.4471435546875	164.0
1969.96142578125	180.0
1978.043701171875	180.0
1979.9898681640625	192.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078925
PEPMASS=313.15152
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=OLANZAPINE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCN(CC1)C2=Nc3ccccc3Nc4sc(C)cc24
INCHI=InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
INCHIAUX=KVWDHTXUZHCGIO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078925
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078925
SCANS=1008
49.50924301147461	188.0
53.9940299987793	176.0
55.97602081298828	168.0
58.35503005981445	148.0
60.80682373046875	208.0
62.433204650878906	148.0
64.14957427978516	152.0
67.93914031982422	124.0
71.1436767578125	144.0
74.37249755859375	144.0
74.7024154663086	176.0
74.771240234375	148.0
79.65352630615234	200.0
80.8141098022461	200.0
81.77057647705078	180.0
81.78317260742188	172.0
84.01021575927734	188.0
84.05583190917969	140.0
84.40837860107422	160.0
84.4284896850586	144.0
88.62149810791016	140.0
97.31037139892578	172.0
99.09729766845703	184.0
99.28759002685547	184.0
99.38082122802734	204.0
103.91349792480469	148.0
106.90292358398438	160.0
107.05937957763672	148.0
107.8020248413086	172.0
108.64057922363281	152.0
108.98521423339844	156.0
112.41731262207031	176.0
113.65095520019531	224.0
113.84199523925781	156.0
114.19478607177734	156.0
116.0483627319336	196.0
117.05610656738281	156.0
118.07901763916016	204.0
119.07379913330078	172.0
119.16938018798828	192.0
119.77415466308594	152.0
119.92231750488281	152.0
120.07929992675781	208.0
120.4154052734375	152.0
127.72828674316406	220.0
131.06532287597656	160.0
133.0753631591797	264.0
134.08013916015625	148.0
134.43626403808594	180.0
140.56214904785156	164.0
141.40924072265625	176.0
142.0645294189453	292.0
143.06024169921875	140.0
143.65599060058594	188.0
144.22430419921875	256.0
148.89857482910156	156.0
149.03704833984375	156.0
149.85943603515625	172.0
150.0714874267578	140.0
150.97007751464844	148.0
151.11683654785156	184.0
151.7315673828125	176.0
153.25634765625	124.0
154.06846618652344	164.0
155.06056213378906	120.0
157.08102416992188	196.0
157.17919921875	160.0
158.08514404296875	168.0
158.78158569335938	168.0
161.02149963378906	176.0
163.05845642089844	156.0
164.04603576660156	232.0
164.35462951660156	144.0
165.30007934570312	164.0
167.06271362304688	152.0
169.0758819580078	2084.0
169.11505126953125	132.0
169.74363708496094	148.0
170.0792236328125	180.0
170.88389587402344	168.0
172.00709533691406	188.0
172.09585571289062	148.0
173.0204315185547	228.0
174.20936584472656	188.0
175.14053344726562	160.0
175.39085388183594	180.0
175.7878875732422	200.0
176.69273376464844	224.0
176.95474243164062	144.0
177.3971710205078	172.0
179.0606689453125	380.0
180.06723022460938	1440.0
180.20486450195312	152.0
181.06761169433594	212.0
181.74172973632812	184.0
182.07664489746094	576.0
182.9134521484375	220.0
183.40638732910156	148.0
185.0716552734375	132.0
185.10299682617188	184.0
185.63682556152344	144.0
186.0387725830078	544.0
186.16744995117188	104.0
186.39146423339844	188.0
187.03823852539062	296.0
187.10133361816406	196.0
187.74710083007812	168.0
188.0690460205078	140.0
192.92013549804688	160.0
192.9615936279297	140.0
193.07574462890625	172.0
194.0872344970703	152.0
194.610107421875	160.0
194.66287231445312	164.0
195.07740783691406	364.0
196.085693359375	412.0
197.785400390625	156.0
198.02500915527344	4772.0
199.02989196777344	484.0
200.05316162109375	172.0
200.54364013671875	152.0
201.05145263671875	252.0
201.3505401611328	144.0
201.83377075195312	164.0
202.0628662109375	272.0
202.99757385253906	168.0
205.67759704589844	184.0
206.5548095703125	152.0
206.7694091796875	228.0
207.0814666748047	188.0
207.7895050048828	144.0
207.99325561523438	228.0
208.08358764648438	172.0
209.0883026123047	160.0
211.02713012695312	152.0
211.22918701171875	172.0
212.04135131835938	888.0
212.78538513183594	208.0
212.95895385742188	176.0
213.0135040283203	376.0
213.04843139648438	9188.0
213.37721252441406	96.0
214.05136108398438	1048.0
214.72044372558594	160.0
215.06361389160156	440.0
215.3041229248047	140.0
216.06613159179688	344.0
220.0840606689453	348.0
221.09417724609375	204.0
222.1024627685547	676.0
222.3849639892578	188.0
223.110595703125	1372.0
224.05380249023438	236.0
224.11483764648438	696.0
225.01046752929688	156.0
225.052490234375	208.0
226.04971313476562	312.0
227.06182861328125	800.0
228.05880737304688	584.0
229.07566833496094	252.0
230.04656982421875	108.0
230.07443237304688	1000.0
231.07733154296875	128.0
231.34043884277344	152.0
231.4781036376953	144.0
232.06591796875	148.0
234.1029815673828	180.0
235.10472106933594	188.0
236.14105224609375	260.0
237.05882263183594	220.0
237.130126953125	148.0
238.05677795410156	324.0
239.0635986328125	444.0
239.47970581054688	224.0
240.06849670410156	168.0
240.8615264892578	168.0
241.06915283203125	628.0
242.07662963867188	536.0
243.08755493164062	168.0
243.84219360351562	184.0
243.90435791015625	156.0
244.08682250976562	140.0
245.35498046875	312.0
246.14434814453125	144.0
246.96939086914062	160.0
247.12643432617188	140.0
247.17587280273438	144.0
248.0841522216797	140.0
248.12164306640625	312.0
249.11029052734375	156.0
250.13348388671875	196.0
251.03018188476562	184.0
252.06585693359375	276.0
252.10032653808594	204.0
253.0654754638672	520.0
254.03167724609375	188.0
254.0762176513672	188.0
254.46963500976562	152.0
255.08547973632812	592.0
255.267333984375	140.0
255.42935180664062	164.0
255.77301025390625	140.0
255.8743438720703	144.0
255.90353393554688	180.0
255.9563446044922	204.0
256.09124755859375	39964.0
256.204345703125	184.0
256.45928955078125	96.0
256.84002685546875	160.0
256.9147644042969	148.0
257.0935974121094	4868.0
257.6116027832031	164.0
258.08856201171875	2132.0
258.4835205078125	108.0
258.9484558105469	112.0
259.02362060546875	320.0
259.0853271484375	224.0
260.5955810546875	156.0
260.7947998046875	144.0
263.9218444824219	192.0
264.8603515625	152.0
266.14459228515625	156.0
266.6351013183594	152.0
267.0675048828125	160.0
267.6728210449219	152.0
268.0875244140625	172.0
270.1040344238281	240.0
271.1050720214844	168.0
275.2187194824219	176.0
278.16436767578125	200.0
279.74334716796875	148.0
281.0898132324219	164.0
281.9814758300781	156.0
282.10675048828125	6820.0
283.06536865234375	184.0
283.10845947265625	1064.0
283.1490783691406	224.0
283.88299560546875	140.0
284.09814453125	164.0
284.3929443359375	176.0
286.1039123535156	160.0
289.47015380859375	212.0
289.83349609375	136.0
300.1419677734375	152.0
300.8837585449219	224.0
301.0391540527344	232.0
302.428955078125	172.0
302.8132629394531	204.0
306.9870910644531	256.0
309.47149658203125	228.0
309.7747497558594	112.0
310.2773132324219	156.0
310.85089111328125	112.0
310.998046875	100.0
311.1339416503906	2852.0
311.34527587890625	96.0
311.51947021484375	100.0
311.59112548828125	144.0
311.7815856933594	136.0
311.9588623046875	140.0
312.1358642578125	1140.0
312.2120361328125	156.0
312.3150634765625	120.0
312.3597412109375	204.0
312.4473571777344	128.0
312.60845947265625	156.0
312.6847229003906	220.0
312.7491760253906	160.0
312.8225402832031	104.0
312.8855285644531	212.0
312.9166564941406	128.0
312.9714050292969	120.0
313.01324462890625	248.0
313.0629577636719	360.0
313.0872802734375	540.0
313.150146484375	126916.0
313.3440246582031	144.0
313.3785400390625	208.0
313.4817810058594	292.0
313.5160217285156	360.0
313.5855407714844	204.0
313.6226806640625	320.0
313.6815490722656	212.0
313.7285461425781	1228.0
313.93011474609375	132.0
314.0430603027344	276.0
314.0723571777344	116.0
314.1518249511719	24256.0
314.44525146484375	116.0
314.5610046386719	116.0
314.6408386230469	144.0
314.8299865722656	164.0
314.8819274902344	152.0
314.9691162109375	156.0
315.1449890136719	6612.0
315.2431640625	124.0
315.2790832519531	192.0
315.6860046386719	200.0
315.9783630371094	100.0
316.0164794921875	148.0
316.0927734375	120.0
316.1459045410156	1160.0
316.21844482421875	156.0
316.302001953125	148.0
316.34521484375	216.0
316.39227294921875	204.0
316.4839172363281	132.0
316.71728515625	112.0
317.3024597167969	120.0
317.3804016113281	116.0
317.6663818359375	156.0
318.2377624511719	108.0
321.27978515625	160.0
378.5670471191406	140.0
399.11474609375	164.0
673.6000366210938	120.0
1303.87646484375	148.0
1458.109619140625	160.0
1627.68408203125	208.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078926
PEPMASS=411.224609
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=RISPERIDONE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1nc2CCCCn2c(=O)c1CCN3CCC(CC3)c4noc5cc(F)ccc45
INCHI=InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
INCHIAUX=RAPZEAPATHNIPO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078926
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078926
SCANS=1086
45.685791015625	200.0
46.086212158203125	172.0
46.51824188232422	172.0
46.967288970947266	144.0
47.55839157104492	140.0
47.97272872924805	168.0
48.45613479614258	160.0
48.758636474609375	152.0
48.91302490234375	140.0
48.972896575927734	196.0
49.90632247924805	168.0
51.04887390136719	160.0
51.09296798706055	172.0
51.33082580566406	236.0
51.622135162353516	148.0
52.5659294128418	172.0
52.708885192871094	148.0
54.08616638183594	148.0
54.54969787597656	248.0
54.561458587646484	200.0
54.72476577758789	148.0
55.95513153076172	224.0
56.17718505859375	172.0
56.29509735107422	160.0
56.53428268432617	152.0
57.259403228759766	224.0
57.343772888183594	152.0
58.28506851196289	164.0
58.76926803588867	184.0
59.10695266723633	152.0
60.49831771850586	236.0
62.02180480957031	148.0
62.49607849121094	176.0
62.80800247192383	144.0
63.17131805419922	172.0
63.53885269165039	208.0
63.92177200317383	176.0
63.9918098449707	156.0
64.61585235595703	168.0
64.9089584350586	148.0
64.92179107666016	196.0
65.58740234375	212.0
67.66682434082031	164.0
67.7274169921875	200.0
69.59147644042969	176.0
69.8951187133789	140.0
70.67100524902344	208.0
71.96015167236328	152.0
72.45060729980469	168.0
72.96823120117188	176.0
73.40241241455078	184.0
73.94395446777344	140.0
74.16832733154297	156.0
75.23657989501953	144.0
76.58394622802734	156.0
76.7425308227539	152.0
77.16854858398438	208.0
77.30148315429688	140.0
77.62730407714844	212.0
78.62300109863281	180.0
79.0966796875	176.0
79.117919921875	164.0
79.71209716796875	184.0
79.77429962158203	180.0
79.982421875	204.0
80.19438171386719	140.0
80.63701629638672	160.0
80.82478332519531	172.0
80.8659439086914	140.0
82.39260864257812	164.0
82.40887451171875	140.0
82.89561462402344	140.0
83.1023178100586	156.0
84.20545959472656	176.0
86.04542541503906	152.0
86.3438720703125	172.0
86.38176727294922	220.0
87.2979965209961	192.0
87.41704559326172	148.0
88.03594970703125	156.0
88.27327728271484	140.0
88.32003021240234	140.0
88.48657989501953	152.0
88.58583068847656	148.0
89.08686065673828	140.0
89.20008087158203	96.0
89.3292007446289	192.0
90.1077880859375	160.0
90.47279357910156	212.0
90.7569808959961	160.0
92.45955657958984	192.0
92.87384033203125	152.0
93.32513427734375	196.0
93.4135971069336	140.0
93.50788116455078	180.0
94.82312774658203	180.0
94.94526672363281	236.0
95.2752456665039	160.0
95.34130859375	160.0
95.49100494384766	184.0
95.77517700195312	156.0
96.06756591796875	180.0
96.08902740478516	144.0
96.18464660644531	228.0
96.34477233886719	160.0
96.58130645751953	172.0
98.22342681884766	164.0
98.41485595703125	144.0
101.28662109375	148.0
101.70368194580078	176.0
101.79202270507812	144.0
101.9286117553711	176.0
104.21390533447266	144.0
104.25454711914062	148.0
104.5921630859375	208.0
104.71636199951172	200.0
104.85897827148438	144.0
105.06900787353516	152.0
106.08173370361328	184.0
106.60877227783203	196.0
107.07128143310547	176.0
107.30656433105469	224.0
108.21770477294922	160.0
108.40205383300781	196.0
108.8065185546875	140.0
109.2304458618164	148.0
109.69689178466797	144.0
110.06100463867188	940.0
110.59717559814453	248.0
111.06246185302734	168.0
111.08331298828125	164.0
111.23019409179688	160.0
111.55789184570312	152.0
111.60835266113281	156.0
111.85321807861328	136.0
112.4531021118164	200.0
112.61990356445312	224.0
113.05542755126953	208.0
114.40109252929688	148.0
114.89337158203125	140.0
115.07865142822266	172.0
116.19841003417969	176.0
116.61499786376953	204.0
117.1766357421875	168.0
117.40943145751953	240.0
117.43746948242188	168.0
118.02486419677734	152.0
118.05081176757812	144.0
118.85445404052734	276.0
119.9331283569336	240.0
121.07579040527344	188.0
121.13712310791016	244.0
121.43740844726562	180.0
123.19395446777344	160.0
123.25802612304688	192.0
123.6073989868164	176.0
124.37864685058594	140.0
124.85855865478516	176.0
125.09217834472656	164.0
125.12334442138672	152.0
126.39556121826172	156.0
127.36204528808594	152.0
129.51626586914062	176.0
130.1440887451172	168.0
130.29624938964844	164.0
130.3462371826172	156.0
130.4416961669922	140.0
131.15870666503906	160.0
131.29322814941406	148.0
131.9737091064453	152.0
132.065185546875	172.0
132.692626953125	180.0
133.08828735351562	232.0
133.14926147460938	216.0
133.4083251953125	156.0
133.94886779785156	192.0
135.08770751953125	316.0
135.3168182373047	228.0
135.527587890625	228.0
136.26539611816406	188.0
137.04483032226562	140.0
137.07745361328125	164.0
137.4032440185547	176.0
137.97137451171875	160.0
138.01580810546875	140.0
138.34568786621094	152.0
138.45806884765625	152.0
138.63377380371094	188.0
139.0207061767578	172.0
139.0934600830078	148.0
139.48324584960938	196.0
139.49029541015625	184.0
139.8879852294922	156.0
139.9939422607422	168.0
140.5124969482422	236.0
141.35836791992188	208.0
141.4956512451172	244.0
141.5548553466797	140.0
142.12136840820312	184.0
142.75082397460938	192.0
142.89353942871094	168.0
143.93338012695312	164.0
144.04139709472656	136.0
144.54705810546875	184.0
144.64816284179688	208.0
145.69070434570312	228.0
146.07052612304688	172.0
146.62911987304688	192.0
146.93295288085938	224.0
147.77371215820312	204.0
148.11190795898438	748.0
148.84262084960938	176.0
148.99319458007812	164.0
149.07337951660156	140.0
149.1187744140625	276.0
149.5281524658203	148.0
150.0789794921875	264.0
150.91860961914062	148.0
151.02952575683594	112.0
151.081298828125	148.0
151.11427307128906	156.0
151.64566040039062	140.0
152.70138549804688	184.0
153.33412170410156	300.0
154.07191467285156	296.0
154.37840270996094	160.0
154.61341857910156	152.0
154.8329620361328	212.0
155.37411499023438	204.0
155.83340454101562	184.0
155.97755432128906	372.0
156.40786743164062	164.0
156.63197326660156	160.0
157.18045043945312	176.0
158.4556121826172	208.0
158.6385498046875	204.0
158.77896118164062	212.0
158.88430786132812	212.0
158.97463989257812	180.0
159.29098510742188	144.0
159.43922424316406	228.0
160.1688690185547	168.0
160.37295532226562	200.0
160.4082489013672	160.0
161.06683349609375	176.0
163.087890625	736.0
163.12335205078125	940.0
163.4863739013672	152.0
163.84567260742188	152.0
164.09280395507812	184.0
164.1249542236328	200.0
164.21929931640625	140.0
164.79112243652344	232.0
166.33535766601562	152.0
166.6358184814453	164.0
167.16549682617188	172.0
168.6949462890625	172.0
169.68905639648438	208.0
170.4339599609375	184.0
170.46514892578125	164.0
170.93321228027344	168.0
171.32374572753906	204.0
171.913330078125	164.0
172.33412170410156	176.0
173.09979248046875	192.0
173.1233673095703	148.0
173.72882080078125	256.0
173.83639526367188	192.0
174.55352783203125	204.0
174.6219024658203	168.0
174.72711181640625	152.0
174.9850311279297	180.0
175.44081115722656	192.0
176.08949279785156	172.0
176.26956176757812	148.0
176.79315185546875	196.0
177.0817108154297	204.0
177.5959014892578	160.0
177.85858154296875	240.0
178.33934020996094	152.0
180.0631561279297	212.0
182.76260375976562	264.0
182.85948181152344	216.0
183.2553253173828	160.0
184.2886962890625	140.0
185.08119201660156	160.0
185.1759796142578	148.0
185.31954956054688	168.0
185.70176696777344	148.0
186.3424072265625	156.0
186.98414611816406	148.0
187.79605102539062	240.0
188.2900390625	172.0
188.56382751464844	152.0
188.85853576660156	176.0
189.0199432373047	140.0
189.0938262939453	176.0
189.4306182861328	212.0
190.0639190673828	164.0
190.1048583984375	144.0
190.34664916992188	196.0
190.40576171875	168.0
190.4852294921875	160.0
190.5952606201172	308.0
190.65431213378906	192.0
190.71649169921875	116.0
190.74220275878906	180.0
190.77455139160156	140.0
190.81495666503906	464.0
190.85145568847656	236.0
190.90277099609375	256.0
190.9501953125	116.0
191.03033447265625	256.0
191.04122924804688	212.0
191.11949157714844	235808.0
191.19642639160156	244.0
191.33822631835938	172.0
191.3665313720703	196.0
191.38674926757812	276.0
191.446533203125	224.0
191.46546936035156	272.0
191.57150268554688	3024.0
191.673095703125	156.0
191.7230682373047	124.0
191.75	180.0
191.8045654296875	132.0
191.9340057373047	164.0
192.08192443847656	188.0
192.1216278076172	36556.0
192.1985626220703	112.0
192.2322540283203	144.0
192.2588653564453	120.0
192.36866760253906	104.0
192.404541015625	152.0
192.48629760742188	128.0
192.5824432373047	208.0
192.72723388671875	100.0
192.77902221679688	152.0
192.886962890625	144.0
192.940185546875	196.0
192.9837646484375	108.0
193.1232452392578	2352.0
193.2628936767578	236.0
193.34005737304688	396.0
193.36666870117188	176.0
193.41183471679688	284.0
193.4591827392578	96.0
193.49859619140625	164.0
193.5187225341797	224.0
193.559814453125	148.0
193.5805206298828	228.0
193.60980224609375	236.0
193.68275451660156	104.0
193.72926330566406	208.0
194.12232971191406	164.0
194.16136169433594	168.0
194.6775665283203	128.0
196.8603057861328	160.0
201.48040771484375	120.0
202.48280334472656	108.0
203.99964904785156	140.0
204.08778381347656	140.0
205.1896209716797	140.0
206.1115264892578	160.0
208.29747009277344	156.0
215.65162658691406	156.0
218.052001953125	140.0
218.60781860351562	152.0
219.09658813476562	156.0
219.5257110595703	176.0
220.01080322265625	164.0
221.181396484375	164.0
222.19190979003906	148.0
224.03509521484375	200.0
224.6163787841797	152.0
224.77037048339844	148.0
225.0580596923828	144.0
228.01771545410156	236.0
228.48077392578125	168.0
229.97540283203125	152.0
231.0148468017578	140.0
233.11029052734375	256.0
234.11376953125	160.0
235.12396240234375	124.0
237.92665100097656	152.0
239.0010223388672	128.0
240.02191162109375	192.0
243.6213836669922	164.0
244.25552368164062	148.0
245.27996826171875	144.0
245.9724578857422	200.0
246.0255126953125	160.0
246.38778686523438	156.0
248.00994873046875	232.0
248.26895141601562	140.0
249.35833740234375	196.0
251.0047607421875	160.0
252.9952392578125	184.0
257.03485107421875	184.0
258.0087585449219	220.0
260.0269775390625	332.0
260.92962646484375	196.0
263.666259765625	148.0
264.413330078125	160.0
265.0091552734375	156.0
265.47918701171875	152.0
269.5678405761719	140.0
270.7553405761719	220.0
271.9731750488281	188.0
272.39202880859375	144.0
274.1061096191406	216.0
274.5445251464844	140.0
276.97705078125	168.0
277.01348876953125	188.0
280.66265869140625	156.0
282.2566223144531	156.0
285.15179443359375	260.0
285.942138671875	212.0
293.1556701660156	164.0
293.8376159667969	192.0
297.1493835449219	164.0
299.624755859375	152.0
303.69140625	220.0
304.72784423828125	152.0
307.6497802734375	172.0
308.12823486328125	144.0
310.98565673828125	216.0
320.87298583984375	144.0
322.80462646484375	140.0
325.0111389160156	140.0
330.158203125	280.0
330.4657287597656	120.0
330.5783996582031	164.0
330.8180236816406	172.0
330.89691162109375	176.0
331.1559143066406	136.0
334.14898681640625	140.0
335.63330078125	148.0
338.96112060546875	180.0
343.1476135253906	160.0
344.7569580078125	148.0
346.7331848144531	144.0
346.7961730957031	152.0
347.19287109375	188.0
348.03521728515625	208.0
349.56292724609375	140.0
355.44134521484375	148.0
357.4963073730469	184.0
359.2181396484375	224.0
360.403564453125	208.0
360.8306579589844	140.0
362.0528564453125	144.0
362.48089599609375	148.0
365.6100158691406	188.0
367.5572509765625	188.0
367.843505859375	144.0
370.69281005859375	160.0
373.39544677734375	140.0
374.7196044921875	148.0
377.71142578125	164.0
377.9706115722656	144.0
378.2608947753906	176.0
378.41961669921875	156.0
381.228271484375	132.0
381.3639221191406	140.0
387.08856201171875	108.0
390.0963439941406	228.0
390.51312255859375	212.0
393.1724548339844	156.0
395.1011047363281	116.0
395.8289489746094	204.0
396.4627685546875	172.0
397.5215759277344	156.0
397.8192443847656	152.0
398.8162841796875	172.0
400.3121643066406	152.0
401.0332336425781	164.0
401.5794677734375	176.0
403.6041564941406	180.0
405.81121826171875	104.0
406.3918762207031	160.0
406.6767883300781	200.0
406.7764587402344	96.0
407.2067565917969	164.0
407.69390869140625	140.0
407.7755432128906	168.0
407.89373779296875	128.0
408.05169677734375	196.0
408.1156005859375	100.0
408.40679931640625	124.0
408.4800109863281	124.0
408.7176208496094	140.0
408.99072265625	120.0
409.08306884765625	100.0
409.25360107421875	156.0
409.3313293457031	120.0
409.416259765625	164.0
409.6281433105469	224.0
409.9243469238281	108.0
409.9988098144531	144.0
410.04052734375	244.0
410.162353515625	340.0
410.21099853515625	100.0
410.3038330078125	116.0
410.36669921875	168.0
410.48651123046875	176.0
410.5782470703125	164.0
410.62884521484375	220.0
410.7052001953125	244.0
410.746826171875	184.0
410.77435302734375	332.0
410.82183837890625	240.0
410.87786865234375	236.0
410.9681701660156	228.0
411.01904296875	248.0
411.0846862792969	408.0
411.137939453125	380.0
411.1695861816406	776.0
411.2217712402344	204024.0
411.3222351074219	156.0
411.48291015625	364.0
411.5916442871094	280.0
411.6921081542969	128.0
411.78265380859375	184.0
411.8403625488281	200.0
411.8851623535156	2668.0
411.940185546875	388.0
411.994140625	240.0
412.0454406738281	340.0
412.08819580078125	96.0
412.1565856933594	304.0
412.2234802246094	71340.0
412.3619079589844	208.0
412.4342041015625	200.0
412.5550231933594	168.0
412.59765625	120.0
412.7107849121094	96.0
412.74505615234375	216.0
412.77850341796875	132.0
412.8879699707031	112.0
412.95611572265625	116.0
413.2258605957031	7984.0
413.3930358886719	104.0
413.4205322265625	168.0
413.4493103027344	192.0
413.5888977050781	112.0
413.67742919921875	184.0
413.805419921875	108.0
413.86297607421875	108.0
413.8953857421875	140.0
414.02447509765625	100.0
414.07080078125	128.0
414.1488037109375	156.0
414.2254638671875	740.0
414.2897033691406	128.0
414.3299255371094	144.0
414.4215393066406	132.0
414.48895263671875	356.0
414.6462097167969	168.0
414.6940002441406	120.0
414.72698974609375	192.0
414.815185546875	248.0
414.86456298828125	244.0
414.8975524902344	104.0
414.94317626953125	228.0
414.9972839355469	124.0
415.1159362792969	148.0
415.2438659667969	128.0
415.39764404296875	128.0
415.5802001953125	120.0
415.6168212890625	136.0
415.70489501953125	160.0
415.7743835449219	168.0
415.8060302734375	144.0
415.888916015625	160.0
415.96148681640625	172.0
416.03509521484375	188.0
416.6439208984375	112.0
416.8309631347656	116.0
418.90985107421875	100.0
427.18511962890625	100.0
544.6876220703125	144.0
724.5546875	148.0
1099.5135498046875	140.0
1294.01953125	156.0
1334.118408203125	168.0
1376.740966796875	156.0
1457.6221923828125	252.0
1472.69873046875	212.0
1539.73388671875	144.0
1628.6063232421875	176.0
1641.2894287109375	140.0
1662.4100341796875	160.0
1706.8072509765625	176.0
1711.085693359375	188.0
1728.799072265625	256.0
1734.96142578125	160.0
1751.248046875	148.0
1759.194580078125	196.0
1759.6871337890625	184.0
1771.1187744140625	144.0
1783.2427978515625	216.0
1802.4232177734375	212.0
1805.973876953125	140.0
1812.5263671875	172.0
1814.3485107421875	172.0
1819.634033203125	164.0
1823.8389892578125	180.0
1830.687744140625	192.0
1833.6610107421875	144.0
1833.8740234375	176.0
1837.6602783203125	232.0
1845.2530517578125	264.0
1845.6207275390625	192.0
1849.5902099609375	160.0
1849.7271728515625	232.0
1850.7374267578125	152.0
1854.078125	164.0
1855.0638427734375	200.0
1871.128662109375	152.0
1877.5135498046875	152.0
1894.9483642578125	184.0
1910.018798828125	156.0
1923.0013427734375	168.0
1929.4566650390625	208.0
1929.83251953125	144.0
1932.115234375	176.0
1940.6719970703125	188.0
1946.902099609375	216.0
1949.41455078125	176.0
1949.63427734375	208.0
1956.86474609375	204.0
1957.296142578125	160.0
1967.965087890625	160.0
1972.9832763671875	144.0
1974.7164306640625	228.0
1982.3919677734375	144.0
1996.8448486328125	160.0
1999.4783935546875	168.0
2002.5321044921875	196.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078927
PEPMASS=206.11586
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=RISPERIDONE [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1nc2CCCCn2c(=O)c1CCN3CCC(CC3)c4noc5cc(F)ccc45
INCHI=InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
INCHIAUX=RAPZEAPATHNIPO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078927
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078927
SCANS=1088
44.92086410522461	208.0
45.19206619262695	240.0
45.59166717529297	152.0
45.688480377197266	184.0
46.1024284362793	148.0
46.180843353271484	148.0
46.62961959838867	212.0
46.67856216430664	188.0
46.77243423461914	236.0
46.871856689453125	192.0
47.319862365722656	176.0
48.436737060546875	160.0
48.70583724975586	144.0
48.957576751708984	156.0
49.13320541381836	156.0
49.40003204345703	284.0
50.43424606323242	200.0
51.040340423583984	140.0
51.14704132080078	168.0
51.39358901977539	152.0
51.78958511352539	148.0
51.84832763671875	148.0
52.710330963134766	164.0
53.324790954589844	228.0
53.39603042602539	172.0
53.43967056274414	176.0
53.551761627197266	184.0
53.64793395996094	156.0
53.8244743347168	148.0
54.24583053588867	200.0
54.3231315612793	168.0
54.615867614746094	196.0
54.68354797363281	168.0
55.02111053466797	176.0
55.04768753051758	168.0
55.77959060668945	176.0
56.80397415161133	188.0
57.81195068359375	160.0
58.55889892578125	168.0
58.851688385009766	144.0
60.124263763427734	140.0
60.43331527709961	160.0
62.58894348144531	184.0
63.40565490722656	172.0
63.45955276489258	164.0
63.7261962890625	144.0
64.57106018066406	188.0
64.72240447998047	132.0
64.76676940917969	204.0
65.02285766601562	160.0
65.50361633300781	164.0
65.56645202636719	172.0
66.13780975341797	180.0
66.47530364990234	252.0
67.09175109863281	184.0
67.24507904052734	196.0
67.69793701171875	160.0
68.2164077758789	204.0
70.75636291503906	176.0
71.58413696289062	156.0
72.07669067382812	164.0
72.34222412109375	140.0
72.67100524902344	160.0
72.98352813720703	168.0
73.3222885131836	184.0
73.71137237548828	268.0
74.80732727050781	196.0
75.79176330566406	160.0
76.27423095703125	144.0
77.1545639038086	148.0
77.39425659179688	216.0
78.40608215332031	144.0
78.52420806884766	172.0
78.94452667236328	148.0
78.97282409667969	172.0
79.00047302246094	164.0
79.10552978515625	156.0
79.32164001464844	184.0
79.73164367675781	288.0
80.49588012695312	176.0
80.579833984375	244.0
80.86236572265625	172.0
80.92859649658203	176.0
81.19200897216797	184.0
81.56546783447266	144.0
82.40706634521484	164.0
82.468505859375	200.0
82.7398452758789	244.0
84.62422180175781	192.0
85.4685287475586	184.0
86.20427703857422	164.0
86.56238555908203	156.0
87.12142181396484	180.0
87.43603515625	176.0
87.72063446044922	148.0
87.94633483886719	148.0
88.73200988769531	184.0
89.02471923828125	204.0
89.15621948242188	144.0
89.49105072021484	148.0
91.05213928222656	184.0
91.13469696044922	212.0
91.2069091796875	196.0
91.91537475585938	212.0
92.01844024658203	148.0
92.04708099365234	292.0
92.87959289550781	172.0
93.05859375	304.0
93.97807312011719	172.0
94.06732177734375	276.0
95.02867889404297	196.0
95.07132720947266	432.0
95.09271240234375	168.0
95.40155792236328	224.0
95.58438110351562	212.0
95.8316650390625	176.0
96.06199645996094	1348.0
96.08302307128906	316.0
96.5628662109375	224.0
97.0901870727539	300.0
97.1131362915039	188.0
97.1532974243164	160.0
98.04026794433594	2292.0
98.09609985351562	832.0
99.02392578125	196.0
99.04499816894531	344.0
99.09491729736328	344.0
99.16062927246094	176.0
100.96156311035156	204.0
103.05174255371094	180.0
103.30564880371094	176.0
104.02503204345703	164.0
104.37244415283203	140.0
104.5580825805664	152.0
106.06600189208984	432.0
106.38284301757812	164.0
107.03046417236328	160.0
107.07150268554688	800.0
107.27151489257812	160.0
107.43648529052734	148.0
107.69038391113281	152.0
107.90736389160156	144.0
108.06411743164062	172.0
108.08136749267578	776.0
108.65501403808594	192.0
109.04352569580078	468.0
109.0763168334961	1488.0
109.56893920898438	380.0
109.67396545410156	172.0
110.05909729003906	1356.0
110.08446502685547	168.0
110.29597473144531	204.0
110.57614135742188	772.0
110.63066864013672	144.0
111.0257568359375	164.0
111.06379699707031	184.0
111.3561782836914	204.0
112.02716827392578	372.0
112.05186462402344	172.0
114.03736114501953	208.0
114.33511352539062	140.0
115.05413055419922	196.0
115.24137115478516	216.0
116.57691955566406	416.0
117.07970428466797	200.0
117.6921157836914	172.0
118.07244110107422	152.0
121.04513549804688	164.0
121.0775146484375	472.0
121.11302185058594	236.0
122.00833129882812	156.0
122.04377746582031	164.0
122.08033752441406	360.0
122.20491027832031	104.0
123.06160736083984	208.0
123.09278106689453	440.0
123.58509826660156	376.0
123.93758392333984	136.0
124.07989501953125	184.0
125.04039001464844	208.0
125.0706787109375	296.0
125.09886169433594	148.0
126.03494262695312	5104.0
126.0780258178711	156.0
126.90951538085938	176.0
127.04230499267578	3344.0
127.08106994628906	144.0
127.18516540527344	196.0
128.04515075683594	596.0
128.1063690185547	160.0
128.26409912109375	192.0
128.35202026367188	144.0
129.0548858642578	140.0
129.06959533691406	188.0
129.113037109375	176.0
129.58375549316406	304.0
130.06689453125	328.0
130.26217651367188	204.0
130.59176635742188	208.0
132.06124877929688	184.0
132.0801544189453	344.0
132.56884765625	188.0
133.0471954345703	848.0
133.08267211914062	164.0
133.2549285888672	172.0
134.37615966796875	180.0
135.0545654296875	256.0
135.09054565429688	908.0
135.5851593017578	420.0
136.06121826171875	120.0
136.06773376464844	180.0
136.44668579101562	224.0
136.5915069580078	10196.0
136.65318298339844	152.0
136.7721405029297	128.0
136.89169311523438	172.0
137.0347900390625	188.0
137.069580078125	796.0
137.09254455566406	1164.0
137.60000610351562	1496.0
137.9783935546875	156.0
138.0344696044922	2084.0
138.08453369140625	192.0
138.1031951904297	296.0
138.5625762939453	156.0
138.65721130371094	148.0
139.03819274902344	212.0
139.0934600830078	268.0
140.05020141601562	548.0
140.0763702392578	188.0
140.40634155273438	240.0
140.45823669433594	160.0
140.55259704589844	180.0
141.2826690673828	172.0
141.6566925048828	144.0
142.0691680908203	212.0
142.0849151611328	168.0
142.5914306640625	5076.0
142.712646484375	140.0
142.74607849121094	168.0
143.0410919189453	148.0
143.0927734375	2048.0
143.56924438476562	196.0
143.59976196289062	716.0
143.76229858398438	132.0
144.10110473632812	524.0
144.44895935058594	140.0
144.6020965576172	168.0
144.62841796875	176.0
144.85110473632812	140.0
145.73875427246094	168.0
146.05563354492188	168.0
146.09373474121094	300.0
146.31838989257812	188.0
147.0572509765625	260.0
147.09127807617188	264.0
148.03028869628906	220.0
148.0586700439453	548.0
148.11306762695312	704.0
148.5804901123047	196.0
149.04151916503906	516.0
149.0692596435547	696.0
149.10760498046875	3296.0
149.15115356445312	164.0
149.5889892578125	224.0
149.727783203125	164.0
150.0363311767578	344.0
150.0740203857422	676.0
150.11502075195312	4376.0
150.60211181640625	340.0
151.0472412109375	120.0
151.08734130859375	2168.0
151.12039184570312	472.0
151.43740844726562	144.0
152.09083557128906	440.0
152.12294006347656	144.0
152.7604217529297	156.0
152.84161376953125	300.0
153.08531188964844	196.0
153.3661651611328	196.0
154.0632781982422	160.0
154.2102813720703	192.0
154.2399444580078	168.0
155.06494140625	140.0
156.08392333984375	328.0
156.9783935546875	248.0
157.46253967285156	196.0
158.0349884033203	152.0
158.05250549316406	144.0
158.092529296875	152.0
159.06077575683594	520.0
159.10264587402344	140.0
160.05050659179688	168.0
160.07351684570312	204.0
160.83201599121094	172.0
161.0621337890625	252.0
161.1097869873047	156.0
161.15525817871094	152.0
162.04344177246094	252.0
162.06784057617188	284.0
163.0546417236328	320.0
163.08729553222656	3488.0
163.12400817871094	880.0
163.2860107421875	104.0
164.0508575439453	4020.0
164.09042358398438	312.0
164.55104064941406	200.0
165.05117797851562	428.0
165.10018920898438	508.0
165.14132690429688	196.0
165.16946411132812	184.0
166.06727600097656	172.0
166.10580444335938	160.0
167.0690155029297	104.0
167.11666870117188	896.0
167.40097045898438	236.0
168.07691955566406	176.0
168.74664306640625	160.0
168.7957763671875	152.0
169.0450897216797	176.0
169.1476287841797	172.0
170.68609619140625	172.0
171.07809448242188	156.0
173.05572509765625	164.0
173.10665893554688	248.0
174.06881713867188	316.0
174.09365844726562	336.0
174.82447814941406	140.0
175.0584259033203	444.0
175.11669921875	164.0
175.5489044189453	204.0
176.0559844970703	280.0
176.0894317626953	176.0
176.10411071777344	160.0
176.85931396484375	164.0
176.95196533203125	152.0
177.0585174560547	1124.0
177.10243225097656	4336.0
177.13583374023438	112.0
177.40646362304688	100.0
177.61070251464844	152.0
178.06529235839844	3608.0
178.11019897460938	17072.0
178.16928100585938	188.0
178.35101318359375	112.0
178.5600128173828	256.0
179.07154846191406	360.0
179.11387634277344	2536.0
179.78817749023438	160.0
179.8735809326172	176.0
180.0391082763672	160.0
180.08050537109375	200.0
180.11705017089844	156.0
180.1459503173828	156.0
180.42654418945312	160.0
181.1839141845703	196.0
182.08518981933594	140.0
182.3377227783203	236.0
183.107177734375	260.0
183.5787811279297	220.0
183.60169982910156	188.0
184.07908630371094	192.0
184.60569763183594	160.0
185.06488037109375	316.0
185.10330200195312	148.0
185.92967224121094	184.0
185.99424743652344	156.0
186.04367065429688	144.0
186.06948852539062	572.0
186.23646545410156	164.0
187.05398559570312	248.0
187.07781982421875	168.0
187.59262084960938	172.0
188.0519256591797	632.0
188.10182189941406	184.0
189.0587158203125	260.0
189.10128784179688	916.0
189.12940979003906	184.0
189.21974182128906	188.0
189.8115692138672	180.0
190.06683349609375	920.0
190.11106872558594	156.0
190.3109588623047	208.0
190.8687286376953	164.0
190.9622344970703	168.0
191.04969787597656	304.0
191.07264709472656	216.0
191.1182861328125	61988.0
191.1655731201172	188.0
191.2744140625	104.0
191.4163055419922	160.0
191.5999755859375	404.0
191.6385040283203	144.0
191.81028747558594	144.0
191.89190673828125	132.0
192.0433807373047	164.0
192.08322143554688	1444.0
192.1212158203125	8432.0
192.61181640625	192.0
193.07864379882812	320.0
193.12391662597656	264.0
193.49954223632812	108.0
194.1290740966797	144.0
195.14212036132812	160.0
197.07772827148438	160.0
197.10006713867188	168.0
197.5994110107422	4356.0
197.69569396972656	148.0
197.8232879638672	108.0
198.07095336914062	112.0
198.10037231445312	420.0
198.60255432128906	468.0
198.6903839111328	168.0
199.07241821289062	292.0
199.45982360839844	152.0
199.5975799560547	140.0
200.0886993408203	140.0
200.71826171875	172.0
200.98556518554688	220.0
201.05511474609375	204.0
201.10601806640625	108.0
201.27413940429688	180.0
201.4379425048828	160.0
202.0653839111328	576.0
202.8529052734375	236.0
203.0865020751953	280.0
203.11158752441406	108.0
203.1846160888672	144.0
203.3804168701172	212.0
203.59341430664062	160.0
203.80923461914062	140.0
204.01303100585938	164.0
204.0825958251953	2500.0
204.22996520996094	184.0
204.286865234375	152.0
204.3197021484375	176.0
204.7348175048828	188.0
204.88644409179688	104.0
204.93881225585938	228.0
205.1052703857422	12960.0
205.15826416015625	168.0
205.2691192626953	132.0
205.288818359375	192.0
205.41456604003906	96.0
205.44659423828125	160.0
205.48052978515625	192.0
205.5088348388672	152.0
205.5343780517578	180.0
205.6057891845703	3068.0
205.6385498046875	188.0
205.64877319335938	188.0
205.6894073486328	216.0
205.74546813964844	120.0
205.77293395996094	132.0
205.8022003173828	136.0
205.8441619873047	96.0
205.87014770507812	160.0
205.93362426757812	312.0
205.984619140625	228.0
206.02224731445312	240.0
206.11465454101562	144128.0
206.17813110351562	104.0
206.19114685058594	100.0
206.19952392578125	236.0
206.22213745117188	216.0
206.27276611328125	132.0
206.3055877685547	224.0
206.32937622070312	312.0
206.36805725097656	284.0
206.40489196777344	144.0
206.44686889648438	236.0
206.4715118408203	276.0
206.51409912109375	184.0
206.55142211914062	232.0
206.58389282226562	2660.0
206.6152801513672	52892.0
206.77175903320312	100.0
206.79444885253906	96.0
206.82150268554688	184.0
206.87408447265625	220.0
206.92396545410156	140.0
206.96055603027344	232.0
207.0161590576172	104.0
207.11654663085938	7904.0
207.15255737304688	100.0
207.17918395996094	120.0
207.29330444335938	120.0
207.45578002929688	100.0
207.52017211914062	140.0
207.55609130859375	192.0
207.6188507080078	1484.0
207.7213134765625	96.0
207.83277893066406	212.0
207.9217529296875	116.0
207.98448181152344	184.0
208.11798095703125	216.0
208.14425659179688	1816.0
208.230712890625	116.0
208.3087158203125	128.0
208.36875915527344	100.0
208.42237854003906	116.0
208.46487426757812	100.0
208.5265350341797	116.0
208.5806121826172	220.0
208.61758422851562	132.0
208.6567840576172	144.0
208.7291717529297	172.0
208.76797485351562	172.0
208.8974151611328	192.0
208.9427032470703	220.0
208.9732666015625	160.0
209.08262634277344	176.0
209.14508056640625	296.0
209.1732940673828	124.0
209.3402557373047	132.0
212.07162475585938	164.0
212.63427734375	168.0
214.37782287597656	128.0
215.0720672607422	264.0
216.07945251464844	400.0
216.5777587890625	136.0
216.96592712402344	152.0
217.0892791748047	1144.0
218.09596252441406	332.0
218.129638671875	768.0
219.0918731689453	772.0
219.13194274902344	140.0
219.90158081054688	148.0
220.0255584716797	152.0
220.1005859375	948.0
220.14491271972656	3848.0
220.89437866210938	160.0
221.109130859375	8776.0
221.1468505859375	588.0
222.11215209960938	736.0
222.29693603515625	108.0
225.6116943359375	164.0
226.6276397705078	504.0
227.12969970703125	332.0
230.15652465820312	144.0
231.7444610595703	164.0
232.0839385986328	144.0
232.143798828125	296.0
233.10606384277344	260.0
234.10772705078125	168.0
234.16140747070312	152.0
235.1228485107422	192.0
235.16244506835938	152.0
243.14942932128906	192.0
244.1342315673828	188.0
244.16221618652344	140.0
249.0441436767578	224.0
249.0819091796875	368.0
256.1463623046875	168.0
256.1868591308594	140.0
257.14794921875	164.0
258.1606750488281	156.0
272.1770935058594	408.0
273.1766357421875	264.0
284.1745910644531	172.0
285.17987060546875	156.0
286.190185546875	640.0
287.18853759765625	128.0
343.9997863769531	156.0
351.843994140625	140.0
353.0396728515625	144.0
530.7637329101562	172.0
616.5128784179688	148.0
1017.3469848632812	148.0
1097.5938720703125	184.0
1150.620361328125	200.0
1165.4530029296875	176.0
1239.464111328125	200.0
1282.4969482421875	152.0
1348.6021728515625	144.0
1354.961181640625	172.0
1466.411865234375	164.0
1487.4000244140625	148.0
1494.608642578125	192.0
1542.3284912109375	216.0
1557.5838623046875	140.0
1565.1729736328125	224.0
1571.12353515625	204.0
1579.259765625	144.0
1579.718505859375	200.0
1597.5911865234375	172.0
1616.5006103515625	176.0
1619.9593505859375	168.0
1626.3822021484375	204.0
1645.6383056640625	176.0
1655.8353271484375	140.0
1657.901123046875	216.0
1675.38671875	184.0
1697.1839599609375	192.0
1738.576904296875	164.0
1743.4193115234375	164.0
1746.794921875	180.0
1753.7559814453125	184.0
1762.468505859375	216.0
1768.062744140625	172.0
1785.5296630859375	156.0
1798.209228515625	232.0
1819.6170654296875	148.0
1822.1138916015625	204.0
1836.542724609375	148.0
1838.5391845703125	204.0
1857.7994384765625	220.0
1860.55419921875	148.0
1861.970947265625	224.0
1864.385009765625	180.0
1866.7919921875	236.0
1868.6326904296875	144.0
1885.2039794921875	120.0
1891.2073974609375	224.0
1904.473388671875	152.0
1906.7149658203125	160.0
1907.349365234375	168.0
1915.5985107421875	148.0
1935.423583984375	200.0
1945.26025390625	160.0
1959.0047607421875	204.0
1964.249755859375	224.0
1975.0791015625	140.0
1984.4927978515625	188.0
1991.5299072265625	144.0
1992.3560791015625	140.0
1997.6810302734375	188.0
2003.3782958984375	224.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078928
PEPMASS=308.181244
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ZOLPIDEM TARTRATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c3ccc(C)cc3
INCHI=InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
INCHIAUX=ZAFYATHCZYHLPB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078928
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078928
SCANS=1085
44.92156982421875	176.0
45.178688049316406	180.0
45.38926696777344	196.0
45.481536865234375	148.0
45.588584899902344	108.0
45.800209045410156	180.0
45.95513916015625	156.0
46.125362396240234	128.0
46.16190719604492	200.0
46.290462493896484	172.0
46.37717056274414	168.0
46.46086120605469	128.0
46.50873947143555	148.0
46.96319580078125	164.0
46.985496520996094	180.0
47.053260803222656	144.0
47.150699615478516	156.0
47.17211151123047	156.0
47.20082473754883	164.0
47.25690460205078	156.0
47.682003021240234	208.0
47.71499252319336	228.0
47.8663444519043	168.0
47.89113235473633	144.0
47.94348907470703	144.0
48.01931381225586	140.0
48.035865783691406	180.0
48.158714294433594	148.0
48.21950912475586	192.0
48.252681732177734	260.0
48.310768127441406	156.0
48.38106918334961	220.0
48.482791900634766	100.0
48.51018142700195	140.0
48.74195861816406	180.0
48.786434173583984	176.0
48.798946380615234	160.0
48.91770553588867	132.0
48.9294319152832	168.0
49.10163879394531	172.0
49.198795318603516	168.0
49.30355453491211	176.0
49.45600509643555	144.0
49.78688049316406	144.0
49.896480560302734	164.0
50.01183319091797	144.0
50.27962112426758	176.0
50.307350158691406	180.0
50.32761764526367	172.0
50.350868225097656	120.0
50.39607620239258	128.0
50.51728820800781	252.0
50.60652160644531	156.0
50.895408630371094	192.0
51.130706787109375	168.0
51.19687271118164	152.0
51.347938537597656	160.0
51.403377532958984	172.0
51.721153259277344	172.0
51.776695251464844	160.0
51.86626434326172	140.0
52.08793640136719	176.0
52.20435333251953	316.0
52.22161102294922	164.0
52.309383392333984	168.0
52.446224212646484	180.0
52.49380111694336	172.0
52.58180236816406	156.0
52.61355972290039	140.0
52.79706573486328	144.0
52.92295837402344	168.0
52.9450798034668	188.0
53.04812240600586	160.0
53.21148681640625	156.0
53.33641815185547	148.0
53.39457702636719	176.0
53.46877670288086	180.0
53.553810119628906	168.0
53.68146896362305	164.0
53.74148178100586	168.0
53.90627670288086	204.0
53.99600601196289	196.0
54.14180374145508	148.0
54.208011627197266	164.0
54.31034851074219	140.0
54.8691520690918	164.0
54.944366455078125	156.0
54.973876953125	148.0
55.01980209350586	104.0
55.056297302246094	164.0
55.18000793457031	152.0
55.23538589477539	196.0
55.31825256347656	156.0
55.66064453125	132.0
56.099639892578125	148.0
56.21701431274414	148.0
56.374271392822266	140.0
56.42808151245117	200.0
56.46845626831055	176.0
56.517822265625	172.0
56.645076751708984	200.0
56.72513961791992	128.0
56.8699951171875	160.0
56.912899017333984	180.0
56.934322357177734	104.0
56.946571350097656	156.0
57.06077575683594	164.0
57.10047912597656	148.0
57.123687744140625	96.0
57.34678649902344	244.0
57.4070930480957	172.0
57.64862823486328	152.0
57.78773880004883	180.0
57.90525436401367	152.0
57.928531646728516	168.0
58.18482208251953	160.0
58.20759963989258	148.0
58.41939926147461	180.0
58.58479309082031	180.0
58.74028015136719	184.0
58.98283386230469	128.0
59.178890228271484	176.0
59.45787811279297	188.0
59.632965087890625	144.0
59.73653030395508	136.0
59.94937515258789	176.0
60.13661193847656	188.0
60.31440353393555	148.0
60.34824752807617	176.0
60.37144088745117	204.0
60.41474914550781	164.0
60.53547668457031	312.0
60.64547348022461	192.0
60.68267822265625	160.0
60.79746627807617	180.0
60.83005905151367	236.0
61.04335021972656	156.0
61.15803909301758	156.0
61.27669906616211	120.0
61.60255813598633	164.0
61.65104293823242	140.0
61.783782958984375	140.0
61.808815002441406	144.0
62.02981185913086	148.0
62.082950592041016	192.0
62.140987396240234	168.0
62.36473083496094	192.0
62.79994201660156	144.0
63.03376770019531	152.0
63.4099006652832	144.0
63.73871612548828	132.0
63.86890411376953	156.0
64.04435729980469	156.0
64.07303619384766	148.0
64.13199615478516	204.0
64.21879577636719	172.0
64.40803527832031	156.0
64.52339935302734	144.0
64.53588104248047	212.0
64.81759643554688	144.0
64.91217041015625	152.0
65.07904815673828	144.0
65.41665649414062	168.0
65.49878692626953	216.0
65.65512084960938	228.0
65.7260971069336	160.0
65.87786102294922	180.0
65.93603515625	140.0
66.12796783447266	208.0
66.20620727539062	152.0
66.39095306396484	152.0
66.69618225097656	144.0
66.71515655517578	148.0
66.81489562988281	168.0
67.07035064697266	160.0
67.11565399169922	308.0
67.19938659667969	148.0
67.3430404663086	156.0
67.37500762939453	120.0
67.60134887695312	248.0
67.77930450439453	220.0
67.88475036621094	144.0
67.93165588378906	120.0
68.08988952636719	164.0
68.10302734375	188.0
68.15559387207031	188.0
68.181884765625	196.0
68.20160675048828	308.0
68.25093078613281	168.0
68.4072265625	160.0
68.49779510498047	172.0
68.52250671386719	148.0
68.64942169189453	164.0
68.70880126953125	180.0
68.82374572753906	168.0
68.97962951660156	140.0
69.0308837890625	148.0
69.18641662597656	316.0
69.20297241210938	144.0
69.2178726196289	148.0
69.25431060791016	180.0
69.41240692138672	200.0
69.496337890625	152.0
69.6407699584961	224.0
69.72550201416016	164.0
69.74056243896484	188.0
69.81028747558594	152.0
69.89179229736328	160.0
69.91292572021484	188.0
70.15160369873047	140.0
70.2443618774414	188.0
70.39520263671875	208.0
70.4141616821289	236.0
70.4609603881836	304.0
70.64423370361328	144.0
70.70112609863281	152.0
70.74766540527344	188.0
70.86598205566406	168.0
70.98590850830078	144.0
71.18560028076172	192.0
71.26092529296875	180.0
71.53581237792969	168.0
71.62433624267578	120.0
71.84362030029297	164.0
71.99898529052734	168.0
72.46246337890625	144.0
72.55065155029297	228.0
72.73686981201172	188.0
72.76095581054688	180.0
72.8135986328125	164.0
72.8373794555664	184.0
73.117919921875	164.0
73.65503692626953	152.0
73.83103942871094	168.0
73.85948181152344	140.0
73.99701690673828	144.0
74.11691284179688	156.0
74.27120208740234	164.0
74.60777282714844	244.0
74.65113830566406	144.0
74.71826934814453	144.0
74.96061706542969	140.0
75.02610778808594	164.0
75.20033264160156	148.0
75.26155090332031	120.0
75.5103988647461	120.0
75.55976104736328	208.0
75.57763671875	180.0
75.69010162353516	136.0
75.84202575683594	144.0
76.0918197631836	184.0
76.18350219726562	172.0
76.3437728881836	176.0
76.55424499511719	144.0
76.85240936279297	144.0
76.882080078125	152.0
76.9177474975586	164.0
77.02349853515625	180.0
77.15190124511719	176.0
77.2590560913086	144.0
77.3452377319336	152.0
77.37849426269531	172.0
77.44251251220703	344.0
77.60536193847656	156.0
77.62031555175781	148.0
77.79047393798828	216.0
77.84314727783203	156.0
77.9959945678711	140.0
78.09797668457031	176.0
78.77838134765625	208.0
78.87203979492188	144.0
79.18167114257812	172.0
79.3464584350586	228.0
79.79563903808594	192.0
79.85211944580078	128.0
79.94683074951172	140.0
80.14092254638672	252.0
80.184326171875	144.0
80.31375122070312	156.0
80.41019439697266	160.0
80.64058685302734	168.0
81.03247833251953	224.0
81.10416412353516	176.0
81.21268463134766	236.0
81.39523315429688	180.0
81.46083068847656	104.0
81.5073471069336	156.0
81.57598876953125	108.0
81.63738250732422	344.0
81.73632049560547	140.0
81.8929443359375	144.0
82.02721405029297	184.0
82.04791259765625	244.0
82.24613952636719	144.0
82.51737213134766	116.0
82.55889892578125	168.0
82.65839385986328	172.0
82.68373107910156	180.0
82.77062225341797	152.0
83.06240844726562	148.0
83.24390411376953	148.0
83.47467803955078	160.0
83.56526947021484	184.0
83.64569854736328	152.0
83.67300415039062	144.0
83.79432678222656	160.0
83.89344024658203	208.0
83.94084930419922	140.0
83.97184753417969	160.0
84.06671905517578	144.0
84.12699890136719	136.0
84.14984130859375	156.0
84.2657470703125	160.0
84.29975128173828	176.0
84.57190704345703	128.0
84.74876403808594	380.0
84.85140228271484	168.0
84.86790466308594	160.0
84.88990783691406	172.0
84.90641784667969	160.0
85.16336059570312	148.0
85.22949981689453	160.0
85.39862823486328	176.0
85.47339630126953	224.0
85.49408721923828	180.0
85.76687622070312	140.0
86.34662628173828	148.0
86.4261703491211	140.0
86.68019104003906	148.0
86.84669494628906	140.0
86.92355346679688	168.0
87.13999938964844	180.0
87.33890533447266	208.0
87.36495208740234	192.0
87.52259063720703	160.0
87.703857421875	188.0
87.72808837890625	168.0
87.74673461914062	212.0
88.27140045166016	176.0
88.43416595458984	200.0
88.46394348144531	176.0
88.56897735595703	148.0
88.70702362060547	184.0
89.25021362304688	152.0
89.62205505371094	152.0
89.87744140625	152.0
90.20227813720703	172.0
90.24484252929688	272.0
90.51065826416016	176.0
90.52581024169922	208.0
90.66380310058594	180.0
90.74166870117188	160.0
90.8157730102539	192.0
90.89734649658203	196.0
90.96756744384766	164.0
91.11569213867188	144.0
91.27262878417969	148.0
91.34001159667969	228.0
91.45989227294922	228.0
91.53604125976562	144.0
91.58365631103516	188.0
91.65010833740234	104.0
91.68081665039062	148.0
91.72274780273438	148.0
91.87530517578125	228.0
91.88865661621094	196.0
92.0497055053711	128.0
92.09291076660156	184.0
92.24495697021484	140.0
92.35476684570312	160.0
92.40259552001953	140.0
92.4906234741211	148.0
92.52507781982422	164.0
92.54930114746094	120.0
92.61929321289062	120.0
92.73661804199219	176.0
92.76502990722656	140.0
92.93531799316406	168.0
92.97360229492188	140.0
93.0583724975586	436.0
93.17713928222656	164.0
93.24055480957031	204.0
93.305908203125	160.0
93.39244079589844	216.0
93.45550537109375	128.0
93.58872985839844	188.0
93.63687133789062	140.0
93.66191101074219	208.0
93.93370056152344	156.0
93.96070861816406	156.0
94.24066162109375	200.0
94.26577758789062	176.0
94.29669952392578	120.0
94.42237091064453	176.0
94.71849822998047	184.0
94.7359390258789	252.0
94.75293731689453	144.0
94.8042221069336	136.0
95.06554412841797	152.0
95.16365814208984	164.0
95.46961212158203	184.0
95.49100494384766	168.0
95.51434326171875	188.0
95.748046875	280.0
95.8536376953125	188.0
95.94470977783203	180.0
96.19426727294922	168.0
96.30180358886719	224.0
96.51285552978516	156.0
96.54022979736328	144.0
96.93553924560547	128.0
97.25048065185547	144.0
97.350830078125	168.0
97.68035888671875	144.0
98.12482452392578	196.0
98.1543960571289	168.0
98.21411895751953	156.0
98.63414001464844	140.0
98.6677474975586	148.0
98.80618286132812	144.0
98.9724349975586	144.0
98.99620056152344	168.0
99.3549575805664	152.0
99.46409606933594	148.0
99.54946899414062	196.0
99.58720397949219	176.0
99.70243835449219	192.0
99.77399444580078	164.0
99.8853530883789	176.0
100.05052185058594	144.0
100.13016510009766	148.0
100.2636489868164	176.0
100.33341217041016	172.0
100.42658233642578	136.0
100.45838928222656	132.0
100.57893371582031	152.0
100.67860412597656	144.0
100.8673324584961	192.0
100.90039825439453	148.0
100.98387145996094	204.0
101.10842895507812	188.0
101.25663757324219	136.0
101.35673522949219	184.0
101.39881896972656	156.0
101.47098541259766	148.0
101.55594635009766	120.0
101.60535430908203	156.0
101.63545227050781	144.0
101.76472473144531	168.0
101.86009979248047	120.0
101.89244842529297	224.0
101.9286117553711	148.0
102.05122375488281	140.0
102.36109161376953	176.0
102.42652893066406	164.0
102.45172119140625	180.0
102.83686065673828	160.0
102.90348052978516	144.0
102.94992065429688	212.0
103.09335327148438	164.0
103.13654327392578	172.0
103.27935028076172	180.0
103.30839538574219	112.0
103.38497161865234	196.0
103.50037384033203	132.0
103.96617126464844	144.0
104.296630859375	116.0
104.40294647216797	152.0
104.8386001586914	264.0
104.9058609008789	448.0
105.1562728881836	204.0
105.25065612792969	144.0
105.34868621826172	168.0
105.46977996826172	204.0
105.4919662475586	180.0
105.59426879882812	164.0
105.67170715332031	156.0
105.8056411743164	172.0
106.09769439697266	212.0
106.28433227539062	200.0
106.30690002441406	176.0
106.81307220458984	196.0
106.8310775756836	148.0
107.12646484375	144.0
107.2890396118164	140.0
107.43855285644531	148.0
107.85568237304688	140.0
107.9114990234375	152.0
107.96939849853516	148.0
108.0479965209961	192.0
108.07282257080078	164.0
108.60523223876953	212.0
108.65323638916016	120.0
108.72444915771484	104.0
108.79637145996094	140.0
108.89913940429688	172.0
109.14517974853516	236.0
109.28038024902344	160.0
109.39484405517578	184.0
109.50727844238281	184.0
109.53435516357422	172.0
109.83972930908203	104.0
110.0452880859375	156.0
110.103759765625	192.0
110.11837768554688	180.0
110.17477416992188	148.0
110.20402526855469	148.0
110.22136688232422	148.0
110.57205963134766	200.0
110.6411361694336	160.0
111.09589385986328	152.0
111.14834594726562	168.0
111.30237579345703	176.0
111.39818572998047	184.0
111.56840515136719	124.0
111.72823333740234	148.0
111.80398559570312	168.0
111.90680694580078	160.0
111.94462585449219	104.0
112.11880493164062	188.0
112.25163269042969	184.0
112.29908752441406	164.0
112.34127044677734	188.0
112.52641296386719	176.0
112.61567687988281	196.0
112.66912078857422	148.0
112.76991271972656	148.0
112.90945434570312	208.0
113.01945495605469	172.0
113.03426361083984	144.0
113.12950134277344	140.0
113.56065368652344	200.0
113.78553009033203	152.0
113.87225341796875	208.0
113.98210906982422	148.0
114.02733612060547	128.0
114.24523162841797	160.0
114.2828369140625	148.0
114.31808471679688	232.0
114.33442687988281	184.0
114.4734878540039	168.0
114.59703063964844	160.0
114.8011245727539	160.0
114.8955078125	196.0
115.16873931884766	180.0
115.1965103149414	208.0
115.3127212524414	140.0
115.40105438232422	152.0
115.41908264160156	196.0
115.62542724609375	160.0
115.66266632080078	140.0
115.85092163085938	140.0
115.87895965576172	168.0
116.00111389160156	156.0
116.02255249023438	208.0
116.04613494873047	176.0
116.2305908203125	200.0
116.38298797607422	192.0
116.5978012084961	164.0
116.67518615722656	160.0
116.81124114990234	120.0
116.93115997314453	152.0
117.45256805419922	144.0
117.6100845336914	164.0
117.69253540039062	144.0
118.04649353027344	180.0
118.06598663330078	272.0
118.2000732421875	152.0
118.30179595947266	184.0
118.35757446289062	168.0
118.44786071777344	168.0
118.51541900634766	144.0
118.59335327148438	120.0
118.6809310913086	188.0
118.77201843261719	160.0
118.89457702636719	188.0
119.0715103149414	532.0
119.09977722167969	160.0
119.12855529785156	160.0
119.47366333007812	140.0
119.58028411865234	176.0
119.6220474243164	192.0
119.9941635131836	188.0
120.04682159423828	160.0
120.12237548828125	96.0
120.19482421875	168.0
120.2605972290039	144.0
120.28168487548828	160.0
120.36945343017578	164.0
120.39347076416016	224.0
120.53327941894531	180.0
120.79344177246094	204.0
120.89846801757812	204.0
121.12616729736328	152.0
121.59318542480469	180.0
121.75440979003906	192.0
121.80176544189453	160.0
121.874267578125	164.0
122.2791748046875	124.0
122.418212890625	224.0
122.56517028808594	236.0
122.58940887451172	208.0
122.73571014404297	108.0
122.77237701416016	160.0
122.79443359375	292.0
122.85619354248047	192.0
123.05322265625	144.0
123.15198516845703	152.0
123.25581359863281	152.0
123.62162780761719	148.0
123.73798370361328	164.0
123.77629089355469	176.0
123.81803894042969	132.0
123.86199951171875	176.0
124.06143188476562	204.0
124.28367614746094	228.0
124.43858337402344	156.0
124.68292999267578	164.0
124.96310424804688	168.0
125.17233276367188	176.0
125.20195770263672	172.0
125.22577667236328	196.0
125.49977111816406	168.0
125.91868591308594	124.0
126.0458984375	192.0
126.36871337890625	196.0
126.52537536621094	140.0
126.55506134033203	140.0
126.74038696289062	140.0
126.84109497070312	124.0
126.89952850341797	156.0
126.98635864257812	144.0
127.05736541748047	216.0
127.18218231201172	144.0
127.40448760986328	188.0
127.43722534179688	168.0
127.55055236816406	164.0
127.62870788574219	152.0
127.6787109375	168.0
128.07708740234375	164.0
128.29115295410156	164.0
128.30918884277344	140.0
128.3506622314453	172.0
128.4612579345703	116.0
128.50540161132812	144.0
128.53591918945312	184.0
128.8282470703125	140.0
129.0293731689453	168.0
129.04745483398438	156.0
129.072265625	152.0
129.1627960205078	156.0
129.18911743164062	132.0
129.27139282226562	144.0
129.36192321777344	144.0
129.45928955078125	172.0
129.48805236816406	204.0
129.7073974609375	148.0
129.99758911132812	208.0
130.10418701171875	132.0
130.30307006835938	144.0
130.39849853515625	140.0
130.4894256591797	148.0
130.53945922851562	148.0
130.55764770507812	232.0
130.72634887695312	176.0
130.79881286621094	164.0
131.10256958007812	132.0
131.2704315185547	172.0
131.3692626953125	168.0
131.49627685546875	184.0
131.56398010253906	232.0
131.7406005859375	200.0
131.756591796875	200.0
131.8402862548828	176.0
131.8571319580078	140.0
132.00572204589844	184.0
132.3436737060547	196.0
132.4565887451172	172.0
132.7247314453125	188.0
132.8256378173828	148.0
132.84628295898438	192.0
132.96368408203125	168.0
133.2801971435547	148.0
134.19395446777344	200.0
134.26083374023438	140.0
134.35540771484375	164.0
134.55975341796875	212.0
134.6623992919922	140.0
134.93507385253906	156.0
134.99057006835938	172.0
135.1802520751953	196.0
135.29598999023438	148.0
135.3459930419922	100.0
135.36312866210938	220.0
135.38397216796875	140.0
135.40017700195312	152.0
135.427978515625	176.0
135.44882202148438	212.0
135.54380798339844	260.0
135.56234741210938	196.0
135.6202850341797	244.0
135.66664123535156	152.0
135.692138671875	172.0
135.868408203125	160.0
135.886962890625	192.0
136.2259063720703	152.0
136.40667724609375	172.0
136.70166015625	148.0
136.93136596679688	268.0
137.09097290039062	208.0
137.18466186523438	212.0
137.24061584472656	148.0
137.49253845214844	180.0
137.55555725097656	232.0
137.7750701904297	144.0
137.85684204101562	212.0
137.9059295654297	188.0
137.93771362304688	160.0
138.15631103515625	100.0
138.33200073242188	156.0
138.3878173828125	140.0
138.44383239746094	148.0
138.45875549316406	192.0
138.65335083007812	148.0
138.8916778564453	180.0
139.04241943359375	144.0
139.09815979003906	152.0
139.14276123046875	196.0
139.3776397705078	148.0
139.4649200439453	144.0
139.50924682617188	168.0
139.57272338867188	144.0
139.74208068847656	168.0
139.8350067138672	128.0
139.88621520996094	212.0
139.9586181640625	152.0
140.06695556640625	172.0
140.23895263671875	192.0
140.34803771972656	160.0
140.39691162109375	208.0
140.47152709960938	216.0
140.5455322265625	156.0
140.57383728027344	348.0
140.63284301757812	140.0
140.6664581298828	132.0
140.7792205810547	180.0
140.81227111816406	176.0
140.9847412109375	180.0
141.05874633789062	152.0
141.22589111328125	148.0
141.27293395996094	140.0
141.37966918945312	176.0
141.396240234375	240.0
141.49801635742188	140.0
141.63975524902344	132.0
141.9529571533203	148.0
141.98377990722656	176.0
142.07518005371094	172.0
142.20620727539062	160.0
142.23333740234375	108.0
142.34393310546875	220.0
142.3684844970703	192.0
142.4394073486328	112.0
142.4675750732422	160.0
142.56930541992188	112.0
142.69139099121094	164.0
142.72705078125	140.0
142.75784301757812	156.0
142.8578643798828	156.0
142.93637084960938	156.0
143.07272338867188	296.0
143.32449340820312	296.0
143.49497985839844	104.0
143.56793212890625	144.0
143.75921630859375	156.0
143.90518188476562	104.0
144.0229949951172	116.0
144.06922912597656	400.0
144.4991912841797	220.0
144.54466247558594	212.0
144.93736267089844	216.0
145.07452392578125	1652.0
145.12445068359375	132.0
145.42897033691406	160.0
145.6282501220703	144.0
145.76759338378906	168.0
145.84776306152344	124.0
145.9072265625	124.0
146.0806884765625	308.0
146.32801818847656	140.0
146.41802978515625	180.0
146.620849609375	120.0
146.88316345214844	208.0
146.95870971679688	112.0
146.9801025390625	236.0
147.03671264648438	180.0
147.4158477783203	160.0
147.58567810058594	248.0
147.7389678955078	100.0
147.78518676757812	184.0
147.8026885986328	296.0
147.8340606689453	192.0
147.958740234375	136.0
148.05355834960938	124.0
148.11001586914062	320.0
148.29550170898438	228.0
148.4276885986328	156.0
148.63143920898438	140.0
148.6953887939453	180.0
148.76609802246094	148.0
148.89254760742188	100.0
149.04281616210938	152.0
149.13414001464844	144.0
149.2154998779297	136.0
149.24110412597656	244.0
149.2890167236328	148.0
149.4235076904297	228.0
149.57504272460938	252.0
149.62188720703125	164.0
149.77162170410156	164.0
150.0779266357422	180.0
150.16891479492188	176.0
150.3738555908203	180.0
150.7074432373047	212.0
150.8037109375	160.0
150.97239685058594	216.0
151.36883544921875	148.0
151.66036987304688	196.0
151.70204162597656	140.0
151.8319854736328	140.0
151.8745574951172	168.0
152.05523681640625	168.0
152.15097045898438	172.0
152.34197998046875	164.0
152.4580078125	168.0
152.50790405273438	196.0
152.63253784179688	196.0
152.68910217285156	292.0
152.90313720703125	148.0
153.13949584960938	180.0
153.18875122070312	164.0
153.26512145996094	140.0
153.30209350585938	148.0
153.37217712402344	136.0
153.5845184326172	116.0
153.78497314453125	180.0
153.8874053955078	172.0
153.9656982421875	164.0
154.06471252441406	448.0
154.24549865722656	164.0
154.3190460205078	152.0
154.35366821289062	148.0
154.4734649658203	128.0
154.52076721191406	136.0
154.60301208496094	144.0
154.64064025878906	164.0
154.6901397705078	152.0
154.7322235107422	232.0
154.95265197753906	192.0
155.06785583496094	284.0
155.43118286132812	140.0
155.5453338623047	172.0
155.7849884033203	188.0
155.83837890625	140.0
155.9054718017578	216.0
155.98997497558594	184.0
156.08523559570312	128.0
156.29588317871094	148.0
156.35311889648438	140.0
156.4073944091797	124.0
156.4539794921875	144.0
156.51492309570312	140.0
156.70950317382812	164.0
156.8288116455078	160.0
156.8761749267578	184.0
157.08065795898438	148.0
157.1355438232422	252.0
157.29525756835938	184.0
157.44566345214844	148.0
157.4800262451172	148.0
157.81988525390625	140.0
157.99307250976562	144.0
158.05133056640625	160.0
158.07675170898438	196.0
158.14759826660156	144.0
158.24098205566406	208.0
158.32284545898438	172.0
158.41050720214844	212.0
158.47314453125	152.0
158.8667449951172	140.0
158.9671173095703	160.0
159.38897705078125	160.0
159.84661865234375	144.0
159.95968627929688	164.0
160.0580596923828	152.0
160.16246032714844	172.0
160.3225555419922	144.0
160.69322204589844	148.0
160.8724822998047	120.0
160.90774536132812	244.0
160.9898681640625	136.0
161.03904724121094	164.0
161.0744171142578	140.0
161.1400909423828	144.0
161.6356658935547	156.0
161.82296752929688	172.0
161.93637084960938	180.0
162.02874755859375	304.0
162.2693328857422	160.0
162.3931427001953	180.0
162.68748474121094	168.0
162.7788848876953	152.0
162.88809204101562	140.0
163.00408935546875	164.0
163.04815673828125	196.0
163.11965942382812	124.0
163.28233337402344	144.0
163.3125762939453	332.0
163.7130584716797	168.0
164.03414916992188	156.0
164.09410095214844	120.0
164.2728729248047	144.0
164.32899475097656	148.0
164.36471557617188	140.0
164.4004364013672	184.0
164.71702575683594	152.0
164.7476806640625	196.0
164.783447265625	164.0
164.8402557373047	120.0
165.01841735839844	124.0
165.03904724121094	156.0
165.0678253173828	124.0
165.13621520996094	140.0
165.38999938964844	128.0
165.5098419189453	200.0
165.61227416992188	176.0
165.803466796875	128.0
165.89158630371094	152.0
166.47360229492188	156.0
166.83343505859375	148.0
167.05487060546875	144.0
167.16639709472656	228.0
167.37399291992188	152.0
167.49246215820312	140.0
167.81459045410156	176.0
167.91773986816406	212.0
168.00802612304688	168.0
168.03382873535156	148.0
168.09059143066406	164.0
168.2325439453125	188.0
168.27125549316406	176.0
168.33517456054688	132.0
168.37454223632812	176.0
168.43560791015625	188.0
168.49456787109375	172.0
168.58897399902344	168.0
168.72079467773438	168.0
168.9794158935547	168.0
169.0751495361328	168.0
169.1168975830078	128.0
169.18911743164062	160.0
169.2236785888672	212.0
169.29408264160156	120.0
169.42730712890625	144.0
169.52316284179688	144.0
169.56723022460938	164.0
169.94064331054688	140.0
170.05633544921875	144.0
170.09010314941406	192.0
170.2404022216797	156.0
170.4583282470703	172.0
170.58364868164062	208.0
170.64813232421875	120.0
170.92539978027344	140.0
171.25341796875	164.0
171.4060516357422	244.0
171.47747802734375	168.0
171.60781860351562	160.0
171.99391174316406	168.0
172.1136474609375	404.0
172.57386779785156	156.0
172.5921630859375	152.0
172.72906494140625	268.0
172.7726287841797	164.0
172.79617309570312	144.0
173.02267456054688	176.0
173.08090209960938	128.0
173.29624938964844	200.0
173.47708129882812	140.0
173.51171875	132.0
173.7245635986328	192.0
173.86264038085938	180.0
174.0657958984375	164.0
174.17855834960938	184.0
174.3773956298828	140.0
174.52603149414062	192.0
174.60597229003906	140.0
174.98240661621094	140.0
175.42498779296875	192.0
175.45925903320312	164.0
175.49880981445312	160.0
175.51809692382812	176.0
175.56146240234375	100.0
175.70188903808594	148.0
175.8618621826172	164.0
175.91700744628906	140.0
175.96844482421875	152.0
176.0265350341797	152.0
176.0555877685547	192.0
176.19293212890625	176.0
176.27220153808594	176.0
176.33297729492188	180.0
176.40316772460938	148.0
176.55941772460938	148.0
176.61996459960938	124.0
176.64402770996094	208.0
176.6985321044922	116.0
176.82754516601562	172.0
177.0817108154297	164.0
177.27511596679688	176.0
177.553466796875	168.0
177.87982177734375	256.0
177.92759704589844	140.0
178.07225036621094	152.0
178.2383575439453	152.0
178.37503051757812	272.0
178.54139709472656	180.0
178.70631408691406	176.0
179.22938537597656	224.0
179.3884735107422	192.0
179.5907440185547	140.0
179.63876342773438	152.0
179.72679138183594	196.0
179.87498474121094	160.0
180.0806121826172	148.0
180.20668029785156	164.0
180.60252380371094	164.0
180.734130859375	168.0
180.75820922851562	160.0
180.8515625	148.0
181.00714111328125	172.0
181.89187622070312	176.0
182.09788513183594	404.0
182.11940002441406	156.0
182.14883422851562	144.0
182.21006774902344	128.0
182.23831176757812	148.0
182.47750854492188	156.0
182.6201629638672	156.0
182.7528533935547	172.0
182.96714782714844	168.0
183.10301208496094	688.0
183.58688354492188	204.0
183.75950622558594	156.0
184.10508728027344	140.0
184.1330108642578	152.0
184.20494079589844	192.0
184.2616729736328	160.0
184.33192443847656	156.0
184.36976623535156	156.0
184.4654541015625	228.0
184.8702850341797	144.0
184.92184448242188	176.0
185.0270538330078	168.0
185.14889526367188	156.0
185.1868133544922	156.0
185.54449462890625	144.0
185.84011840820312	140.0
185.88624572753906	192.0
185.94052124023438	140.0
185.9703826904297	192.0
186.2786102294922	124.0
186.56849670410156	120.0
186.6848907470703	176.0
186.80184936523438	136.0
186.83670043945312	136.0
186.91883850097656	140.0
186.9705352783203	140.0
187.00318908691406	172.0
187.17198181152344	208.0
187.49342346191406	268.0
187.77825927734375	168.0
187.83969116210938	164.0
188.00067138671875	148.0
188.0252227783203	148.0
188.38291931152344	160.0
188.40750122070312	148.0
188.48135375976562	128.0
188.55784606933594	156.0
188.68125915527344	140.0
188.9734344482422	248.0
189.1443328857422	112.0
189.2608184814453	152.0
189.37261962890625	164.0
189.6717529296875	140.0
190.03648376464844	220.0
190.2285919189453	156.0
190.6158447265625	152.0
190.8412322998047	216.0
191.10403442382812	224.0
191.4851531982422	404.0
191.5760498046875	224.0
191.68626403808594	172.0
192.03517150878906	164.0
192.385498046875	128.0
192.80665588378906	188.0
192.87574768066406	148.0
193.00015258789062	152.0
193.19786071777344	144.0
193.27676391601562	152.0
193.65927124023438	116.0
193.8874969482422	200.0
193.98878479003906	172.0
194.06614685058594	168.0
194.0910186767578	220.0
194.2769317626953	144.0
194.36180114746094	156.0
194.48414611816406	160.0
194.5794219970703	164.0
194.64744567871094	120.0
194.70437622070312	164.0
195.0627899169922	168.0
195.1013946533203	828.0
195.1819305419922	132.0
195.2991485595703	160.0
195.5161590576172	144.0
195.62294006347656	164.0
195.7249298095703	184.0
195.7588653564453	152.0
195.89047241210938	228.0
196.04051208496094	260.0
196.11038208007812	280.0
196.2582244873047	132.0
196.84030151367188	152.0
196.98123168945312	148.0
197.25099182128906	176.0
197.3514862060547	216.0
197.5606231689453	220.0
197.6280059814453	236.0
197.86642456054688	176.0
198.39364624023438	168.0
198.6060028076172	148.0
198.8082275390625	196.0
198.9373321533203	184.0
198.9564666748047	172.0
198.9793701171875	144.0
199.1466522216797	140.0
199.5792999267578	160.0
199.64950561523438	188.0
199.71006774902344	144.0
199.98265075683594	136.0
200.050537109375	172.0
200.10169982910156	144.0
200.14064025878906	172.0
200.44203186035156	148.0
200.50289916992188	160.0
200.71029663085938	208.0
200.7548370361328	120.0
200.85333251953125	148.0
201.15115356445312	156.0
201.34756469726562	220.0
201.57191467285156	192.0
201.7794647216797	132.0
201.89865112304688	176.0
202.07298278808594	184.0
202.13485717773438	148.0
202.38287353515625	148.0
202.4533233642578	372.0
202.59494018554688	152.0
202.92652893066406	184.0
203.07115173339844	156.0
203.38160705566406	208.0
203.47781372070312	116.0
203.53109741210938	112.0
203.6927490234375	208.0
203.83197021484375	148.0
204.0804901123047	136.0
204.18446350097656	140.0
204.20437622070312	144.0
204.36976623535156	116.0
204.92457580566406	180.0
204.94578552246094	160.0
205.0789337158203	796.0
205.15371704101562	128.0
205.2609100341797	148.0
205.34278869628906	168.0
205.40065002441406	360.0
205.74879455566406	192.0
205.8192901611328	104.0
205.90298461914062	140.0
205.98191833496094	252.0
206.0206756591797	140.0
206.07940673828125	388.0
206.44264221191406	144.0
206.4860076904297	140.0
206.61758422851562	140.0
206.6419677734375	180.0
206.80072021484375	152.0
207.07557678222656	168.0
207.10716247558594	160.0
207.1483917236328	192.0
207.2216796875	184.0
207.45094299316406	148.0
207.4796142578125	196.0
207.62232971191406	144.0
207.6459197998047	212.0
207.99166870117188	164.0
208.11094665527344	480.0
208.2026824951172	228.0
208.26194763183594	120.0
208.3491668701172	140.0
208.4985809326172	196.0
208.5479736328125	176.0
208.61068725585938	296.0
208.8551025390625	160.0
208.95895385742188	160.0
209.10911560058594	720.0
209.6785430908203	140.0
209.7509002685547	112.0
209.93661499023438	224.0
210.1067352294922	132.0
210.24378967285156	144.0
210.37945556640625	156.0
210.43719482421875	144.0
210.67689514160156	152.0
210.8423614501953	180.0
211.098876953125	140.0
211.3445281982422	108.0
211.62435913085938	148.0
211.6573486328125	160.0
211.7189178466797	168.0
211.76739501953125	140.0
211.89016723632812	188.0
212.0724639892578	192.0
212.21946716308594	216.0
212.26177978515625	108.0
212.3238525390625	164.0
212.4253692626953	144.0
212.6168670654297	160.0
212.82876586914062	152.0
212.9943084716797	144.0
213.03640747070312	204.0
213.08726501464844	176.0
213.3575439453125	148.0
213.4895477294922	220.0
213.60763549804688	212.0
213.65089416503906	152.0
213.90444946289062	148.0
213.98887634277344	208.0
214.044189453125	188.0
214.12864685058594	148.0
214.16941833496094	144.0
214.4189453125	180.0
214.54531860351562	196.0
214.64736938476562	180.0
214.7870635986328	160.0
214.89820861816406	156.0
215.10833740234375	152.0
215.39907836914062	164.0
215.4550018310547	140.0
215.66038513183594	176.0
215.87965393066406	160.0
215.96104431152344	212.0
216.17510986328125	192.0
216.2504425048828	140.0
216.39752197265625	156.0
216.59866333007812	132.0
217.05523681640625	148.0
217.21435546875	120.0
217.2604522705078	216.0
217.33547973632812	220.0
217.5262451171875	144.0
217.55934143066406	160.0
217.587890625	184.0
217.67059326171875	192.0
217.76524353027344	140.0
217.85218811035156	152.0
217.9050750732422	180.0
218.0373077392578	172.0
218.09820556640625	284.0
218.18133544921875	180.0
218.2878875732422	200.0
218.37246704101562	216.0
218.74998474121094	132.0
218.98170471191406	144.0
219.02777099609375	112.0
219.09130859375	1988.0
219.32083129882812	120.0
219.35885620117188	176.0
219.403076171875	148.0
220.09954833984375	6804.0
220.17149353027344	132.0
220.34593200683594	176.0
220.37315368652344	156.0
220.7346649169922	188.0
220.7642364501953	148.0
220.92486572265625	156.0
220.9971160888672	176.0
221.04319763183594	212.0
221.10711669921875	22204.0
221.3751983642578	96.0
221.46888732910156	168.0
221.57440185546875	112.0
221.60284423828125	192.0
221.666259765625	132.0
221.94573974609375	156.0
222.00503540039062	144.0
222.1102752685547	4104.0
222.22314453125	272.0
222.36248779296875	224.0
222.39935302734375	176.0
222.473388671875	216.0
222.51150512695312	136.0
222.62008666992188	172.0
222.70396423339844	128.0
222.7618865966797	156.0
222.78268432617188	180.0
222.82723999023438	144.0
223.00851440429688	152.0
223.1179962158203	312.0
223.1571502685547	140.0
223.21066284179688	180.0
223.30047607421875	204.0
223.37538146972656	148.0
223.58250427246094	168.0
223.63607788085938	144.0
223.72955322265625	136.0
223.7998046875	172.0
223.8634796142578	188.0
223.9622802734375	120.0
224.02020263671875	196.0
224.3299102783203	116.0
224.4404296875	232.0
224.5060272216797	180.0
224.59259033203125	160.0
224.7185516357422	96.0
224.7536163330078	180.0
224.80433654785156	160.0
224.91549682617188	264.0
225.01626586914062	184.0
225.17453002929688	160.0
225.2252960205078	144.0
225.25816345214844	160.0
225.39356994628906	160.0
225.50018310546875	164.0
225.54501342773438	156.0
225.69766235351562	204.0
225.79632568359375	148.0
225.83412170410156	104.0
225.87948608398438	112.0
225.99761962890625	220.0
226.13424682617188	176.0
226.47972106933594	124.0
226.56842041015625	180.0
226.74221801757812	176.0
226.89808654785156	152.0
226.99403381347656	164.0
227.04800415039062	160.0
227.3950958251953	156.0
227.67198181152344	240.0
228.13711547851562	144.0
228.2191162109375	160.0
228.26722717285156	148.0
228.3094024658203	156.0
228.6432647705078	148.0
228.80335998535156	148.0
228.89613342285156	200.0
229.0467071533203	144.0
229.18528747558594	148.0
229.24851989746094	232.0
229.58096313476562	184.0
229.90310668945312	148.0
229.93580627441406	204.0
230.07730102539062	140.0
230.20497131347656	196.0
230.27430725097656	212.0
230.4114227294922	192.0
230.61268615722656	160.0
230.71798706054688	120.0
230.88084411621094	184.0
231.04498291015625	100.0
231.2175750732422	176.0
231.2410430908203	164.0
231.3720703125	188.0
231.49070739746094	180.0
231.51077270507812	264.0
231.7232666015625	176.0
231.8171844482422	156.0
231.8778076171875	144.0
231.99298095703125	172.0
232.02598571777344	128.0
232.06039428710938	168.0
232.151123046875	100.0
232.2021942138672	160.0
232.25982666015625	168.0
232.39634704589844	148.0
232.53897094726562	160.0
232.5753936767578	188.0
232.6510772705078	120.0
232.71188354492188	116.0
232.844482421875	120.0
232.90939331054688	176.0
233.02786254882812	160.0
233.1079864501953	548.0
233.18284606933594	148.0
233.35464477539062	108.0
233.38133239746094	124.0
233.6754608154297	140.0
233.7073974609375	120.0
233.761962890625	148.0
233.91282653808594	144.0
234.0677490234375	144.0
234.11572265625	1864.0
234.29762268066406	232.0
234.34527587890625	144.0
234.37393188476562	148.0
234.48089599609375	252.0
234.54031372070312	352.0
234.6097869873047	252.0
234.63633728027344	104.0
234.64447021484375	264.0
234.6775360107422	132.0
234.75625610351562	160.0
234.79885864257812	212.0
234.82508850097656	128.0
234.8998260498047	128.0
234.96925354003906	172.0
234.98544311523438	300.0
235.03778076171875	128.0
235.1249542236328	218380.0
235.2373046875	200.0
235.2855987548828	152.0
235.3264617919922	188.0
235.42587280273438	252.0
235.4720458984375	220.0
235.55270385742188	192.0
235.59158325195312	124.0
235.62599182128906	3976.0
235.677978515625	180.0
235.72732543945312	216.0
235.7572479248047	176.0
235.77810668945312	244.0
235.82217407226562	208.0
235.89639282226562	212.0
235.98638916015625	536.0
236.0207977294922	260.0
236.08946228027344	676.0
236.13201904296875	214712.0
236.22117614746094	264.0
236.26499938964844	176.0
236.30184936523438	104.0
236.33489990234375	276.0
236.37115478515625	136.0
236.41036987304688	188.0
236.45840454101562	120.0
236.51028442382812	192.0
236.5322723388672	356.0
236.5743865966797	256.0
236.63430786132812	3336.0
236.67880249023438	268.0
236.72450256347656	208.0
236.82330322265625	252.0
236.8578338623047	124.0
237.041259765625	216.0
237.08807373046875	152.0
237.1345672607422	42444.0
237.21844482421875	196.0
237.2843017578125	160.0
237.3699951171875	252.0
237.43711853027344	120.0
237.45875549316406	112.0
237.51556396484375	292.0
237.54649353027344	120.0
237.59371948242188	320.0
237.6400604248047	284.0
237.66793823242188	100.0
237.7021942138672	244.0
237.74142456054688	132.0
237.78512573242188	216.0
237.85877990722656	180.0
237.88340759277344	136.0
237.9147491455078	252.0
237.94662475585938	292.0
238.0094451904297	260.0
238.0633544921875	100.0
238.10009765625	132.0
238.13661193847656	3084.0
238.3070831298828	300.0
238.41082763671875	96.0
238.47181701660156	128.0
238.49595642089844	284.0
238.52926635742188	112.0
238.58583068847656	240.0
238.69125366210938	96.0
238.7297821044922	180.0
238.81944274902344	212.0
238.86756896972656	212.0
238.9522705078125	244.0
238.9584197998047	140.0
239.0023651123047	244.0
239.05364990234375	96.0
239.13250732421875	120.0
239.2239532470703	144.0
239.31109619140625	152.0
239.63145446777344	100.0
239.71148681640625	108.0
239.93138122558594	128.0
240.06982421875	156.0
240.22425842285156	100.0
240.29473876953125	120.0
240.3673858642578	160.0
240.47470092773438	100.0
240.60633850097656	104.0
240.69635009765625	188.0
241.08619689941406	140.0
241.1527862548828	172.0
241.39561462402344	152.0
241.5729522705078	192.0
241.82568359375	208.0
242.0210723876953	148.0
242.34780883789062	156.0
242.50929260253906	160.0
242.68722534179688	152.0
242.80909729003906	132.0
242.91983032226562	188.0
242.9962615966797	156.0
243.02220153808594	204.0
243.66177368164062	172.0
243.6835174560547	148.0
243.9371795654297	144.0
244.1121368408203	116.0
244.25552368164062	216.0
244.457763671875	200.0
245.10784912109375	760.0
245.2758026123047	124.0
245.3984375	200.0
245.80703735351562	156.0
245.94436645507812	152.0
246.08563232421875	244.0
246.11434936523438	740.0
246.30030822753906	156.0
246.46900939941406	140.0
246.66416931152344	188.0
246.83473205566406	148.0
246.9400177001953	168.0
247.11485290527344	560.0
247.38067626953125	104.0
247.45953369140625	140.0
247.5464630126953	160.0
247.57147216796875	108.0
247.63404846191406	128.0
247.68142700195312	148.0
247.72265625	148.0
247.7938232421875	104.0
247.89315795898438	128.0
248.0948944091797	8448.0
248.3655548095703	116.0
248.833984375	108.0
248.9405059814453	140.0
249.09934997558594	1080.0
249.1697998046875	200.0
249.41380310058594	148.0
249.52493286132812	176.0
250.0968017578125	148.0
250.1658477783203	148.0
250.2359619140625	148.0
250.49734497070312	160.0
251.01583862304688	164.0
251.10447692871094	136.0
251.150146484375	276.0
251.8325653076172	116.0
251.8967742919922	220.0
252.1818084716797	120.0
252.31822204589844	152.0
252.3656463623047	236.0
252.92242431640625	152.0
253.01739501953125	212.0
253.07907104492188	100.0
253.22637939453125	152.0
253.45130920410156	156.0
253.57806396484375	184.0
253.617919921875	104.0
253.86654663085938	148.0
254.2047119140625	180.0
254.2789764404297	188.0
254.46241760253906	192.0
254.58218383789062	196.0
254.6567840576172	172.0
254.96141052246094	168.0
255.3083038330078	164.0
255.42123413085938	120.0
255.85240173339844	180.0
255.95294189453125	124.0
256.0115966796875	152.0
256.0557556152344	148.0
256.2724304199219	100.0
256.8115539550781	168.0
256.9072265625	176.0
257.1529235839844	236.0
257.2423095703125	176.0
257.3253173828125	140.0
257.70416259765625	172.0
257.76287841796875	152.0
257.90826416015625	140.0
257.9738464355469	172.0
258.65838623046875	164.0
258.7928466796875	140.0
259.674072265625	140.0
259.7823181152344	220.0
259.9617004394531	176.0
260.1136474609375	148.0
260.82086181640625	140.0
261.0306701660156	140.0
261.100830078125	108.0
261.2472229003906	192.0
261.30267333984375	156.0
261.62451171875	196.0
261.7739562988281	148.0
261.94976806640625	220.0
262.1095886230469	940.0
262.1714172363281	156.0
262.20428466796875	184.0
262.2637023925781	128.0
262.39923095703125	160.0
262.4797058105469	196.0
262.5421142578125	284.0
262.5801696777344	156.0
262.6382141113281	116.0
262.6912841796875	112.0
262.75567626953125	220.0
262.8203125	132.0
262.9897766113281	148.0
263.0129699707031	204.0
263.0572509765625	296.0
263.1190185546875	164072.0
263.3424987792969	188.0
263.40997314453125	224.0
263.43511962890625	372.0
263.50494384765625	112.0
263.5698547363281	100.0
263.6476135253906	416.0
263.7200622558594	112.0
263.7993469238281	140.0
263.8705139160156	128.0
263.9591979980469	104.0
264.01904296875	264.0
264.0640563964844	132.0
264.1213073730469	23132.0
264.17987060546875	112.0
264.2859802246094	100.0
264.3291931152344	128.0
264.4664001464844	152.0
264.5323791503906	200.0
264.7150573730469	168.0
264.7738342285156	140.0
264.81414794921875	168.0
265.05682373046875	136.0
265.12420654296875	2652.0
265.1938781738281	216.0
265.23260498046875	164.0
265.46783447265625	184.0
265.7229309082031	132.0
265.7568664550781	136.0
265.8546142578125	168.0
265.8857727050781	108.0
265.93804931640625	144.0
265.9681701660156	144.0
266.0412292480469	120.0
266.0692138671875	240.0
266.1313781738281	132.0
266.23321533203125	152.0
266.3457336425781	148.0
266.6229553222656	148.0
266.712890625	164.0
266.8089904785156	100.0
266.87286376953125	140.0
267.008056640625	164.0
267.04425048828125	144.0
267.0914611816406	112.0
267.48223876953125	160.0
267.7670593261719	180.0
267.90576171875	152.0
268.1240539550781	1068.0
268.2818908691406	156.0
268.4547119140625	256.0
268.78741455078125	232.0
269.0306701660156	164.0
269.1206970214844	260.0
269.17913818359375	160.0
269.2411804199219	152.0
269.39794921875	144.0
269.6251220703125	160.0
269.73614501953125	112.0
270.0418701171875	188.0
270.1661682128906	160.0
270.3265075683594	156.0
270.50860595703125	156.0
270.6158752441406	128.0
270.81756591796875	176.0
271.2867126464844	208.0
271.3615417480469	140.0
271.5945129394531	112.0
271.72686767578125	136.0
271.7748107910156	156.0
271.87713623046875	156.0
271.978271484375	156.0
272.51959228515625	144.0
272.6285705566406	164.0
272.70416259765625	192.0
272.88824462890625	148.0
273.2500305175781	168.0
273.4287414550781	104.0
273.6832580566406	184.0
273.73388671875	140.0
273.9268798828125	200.0
274.0987548828125	156.0
274.2243957519531	264.0
274.29205322265625	228.0
274.44891357421875	216.0
274.4894714355469	120.0
274.6005859375	144.0
275.1351623535156	192.0
275.2870178222656	160.0
275.3944091796875	168.0
276.0028076171875	148.0
276.1355285644531	112.0
276.2488098144531	164.0
276.27197265625	152.0
276.4903564453125	152.0
276.75848388671875	152.0
276.9612731933594	156.0
277.046630859375	148.0
277.29571533203125	140.0
277.3697204589844	144.0
277.5821533203125	188.0
278.0676574707031	108.0
278.2728576660156	216.0
278.4200744628906	148.0
278.4862365722656	180.0
279.1299133300781	128.0
279.3684387207031	148.0
279.6754150390625	152.0
279.9299011230469	120.0
280.0875549316406	164.0
280.1820983886719	108.0
280.4192810058594	168.0
280.7410888671875	152.0
281.4024963378906	148.0
281.5870056152344	140.0
281.6103820800781	160.0
281.76739501953125	180.0
281.8008117675781	328.0
282.1627197265625	152.0
282.3556823730469	172.0
282.4717102050781	168.0
283.0417175292969	144.0
283.1287841796875	176.0
283.70794677734375	272.0
284.3281555175781	184.0
284.5370788574219	200.0
285.0039367675781	144.0
286.5314025878906	152.0
286.8886413574219	144.0
287.0369873046875	180.0
287.0841979980469	144.0
287.2393493652344	144.0
287.3998107910156	184.0
287.5632629394531	200.0
287.5970153808594	148.0
287.7686462402344	224.0
288.06488037109375	156.0
288.17108154296875	148.0
288.52593994140625	164.0
288.5631408691406	164.0
289.388671875	140.0
289.4360656738281	148.0
289.734130859375	184.0
290.3612060546875	160.0
290.4256286621094	244.0
290.4561767578125	156.0
290.5282287597656	248.0
290.6631164550781	152.0
290.7649230957031	152.0
290.8226318359375	160.0
291.04327392578125	156.0
291.3863220214844	224.0
291.64459228515625	144.0
291.8995666503906	144.0
292.1383056640625	328.0
292.23345947265625	148.0
292.3111572265625	176.0
292.5987548828125	168.0
292.886962890625	124.0
293.4897155761719	144.0
293.61566162109375	128.0
293.7079772949219	156.0
293.7932434082031	140.0
293.87890625	224.0
293.99798583984375	176.0
294.10198974609375	124.0
294.15155029296875	140.0
294.47393798828125	144.0
294.6095275878906	140.0
294.94744873046875	176.0
295.9737854003906	184.0
296.11761474609375	248.0
296.23748779296875	204.0
296.43621826171875	180.0
296.552734375	156.0
297.0121765136719	176.0
297.2591857910156	172.0
297.3345031738281	356.0
297.9407958984375	108.0
298.24139404296875	148.0
298.4167175292969	176.0
298.7851257324219	104.0
299.16363525390625	148.0
299.4697265625	156.0
299.562744140625	204.0
299.9004211425781	140.0
300.1229248046875	96.0
300.2609558105469	140.0
300.74200439453125	156.0
300.981201171875	152.0
301.16668701171875	140.0
301.4119873046875	156.0
301.66082763671875	196.0
301.8611755371094	164.0
301.92938232421875	124.0
302.6165771484375	120.0
302.8684387207031	172.0
303.21490478515625	144.0
303.2876892089844	180.0
303.3133850097656	184.0
303.4090270996094	164.0
303.50262451171875	172.0
303.7022399902344	164.0
303.8494567871094	140.0
303.9258117675781	156.0
304.0367126464844	104.0
304.3944091796875	148.0
304.57989501953125	96.0
304.76605224609375	188.0
304.8564147949219	164.0
304.8836669921875	172.0
304.93951416015625	124.0
305.0301818847656	160.0
305.2117004394531	112.0
305.2533874511719	184.0
305.4799499511719	144.0
305.54998779296875	160.0
305.62384033203125	148.0
305.7051696777344	220.0
305.81280517578125	144.0
305.8574523925781	96.0
305.921875	132.0
306.0061950683594	152.0
306.0552062988281	272.0
306.1310119628906	112.0
306.1996154785156	112.0
306.2824401855469	140.0
306.3443603515625	216.0
306.3889465332031	148.0
306.430419921875	176.0
306.4959716796875	268.0
306.64898681640625	140.0
306.72747802734375	212.0
306.7752990722656	108.0
306.8403015136719	120.0
306.9452819824219	208.0
306.9853820800781	124.0
307.060546875	244.0
307.12591552734375	384.0
307.1567687988281	376.0
307.18304443359375	540.0
307.2668762207031	464.0
307.2926025390625	300.0
307.313232421875	672.0
307.3590087890625	208.0
307.36865234375	524.0
307.4463195800781	312.0
307.4914245605469	264.0
307.55145263671875	260.0
307.5841979980469	500.0
307.6142578125	160.0
307.6760559082031	420.0
307.7048645019531	432.0
307.75079345703125	372.0
307.7965393066406	496.0
307.82855224609375	424.0
307.8682861328125	356.0
307.9006042480469	704.0
307.9469299316406	316.0
307.9604797363281	508.0
307.972412109375	580.0
308.0133972167969	720.0
308.07171630859375	1132.0
308.1210021972656	1896.0
308.129638671875	1304.0
308.1782531738281	332860.0
308.3065490722656	420.0
308.4181213378906	248.0
308.50469970703125	3488.0
308.56304931640625	1112.0
308.6203308105469	776.0
308.6582946777344	1968.0
308.711181640625	3236.0
308.77008056640625	12464.0
308.8367614746094	508.0
308.8741760253906	380.0
308.98040771484375	276.0
309.0257873535156	632.0
309.0496826171875	496.0
309.0740661621094	472.0
309.11004638671875	704.0
309.18048095703125	200512.0
309.2760314941406	264.0
309.3103942871094	136.0
309.36962890625	424.0
309.39288330078125	188.0
309.4208984375	264.0
309.4742736816406	188.0
309.5025634765625	188.0
309.5469055175781	164.0
309.5963439941406	688.0
309.6405334472656	280.0
309.6852111816406	144.0
309.7135925292969	108.0
309.7618713378906	172.0
309.806396484375	124.0
309.87646484375	296.0
309.89141845703125	268.0
309.95867919921875	196.0
310.0395812988281	404.0
310.0729064941406	180.0
310.10125732421875	276.0
310.1374816894531	200.0
310.1826171875	26568.0
310.2637023925781	176.0
310.2936706542969	160.0
310.33306884765625	116.0
310.3828125	100.0
310.4266662597656	240.0
310.4876403808594	192.0
310.5794982910156	140.0
310.628662109375	120.0
310.71856689453125	208.0
310.74822998046875	232.0
310.80059814453125	260.0
310.8306884765625	148.0
310.88275146484375	224.0
310.9158935546875	260.0
310.9606018066406	296.0
311.0162353515625	360.0
311.0490417480469	280.0
311.0757141113281	308.0
311.1006164550781	220.0
311.1379699707031	248.0
311.1871643066406	1748.0
311.25537109375	480.0
311.2918395996094	716.0
311.3311767578125	328.0
311.38470458984375	340.0
311.4447326660156	300.0
311.48834228515625	148.0
311.54833984375	260.0
311.59991455078125	160.0
311.646484375	312.0
311.69189453125	208.0
311.8482666015625	140.0
311.8844909667969	140.0
312.019287109375	140.0
312.0566101074219	104.0
312.1744079589844	224.0
312.2138366699219	188.0
312.25665283203125	136.0
312.3055114746094	164.0
312.3896484375	192.0
312.4416809082031	140.0
312.48388671875	104.0
312.52703857421875	220.0
312.7059020996094	124.0
312.9134216308594	172.0
312.9490661621094	112.0
312.9856872558594	156.0
313.15087890625	96.0
313.1957702636719	124.0
313.3466491699219	164.0
313.5566101074219	136.0
314.0167236328125	124.0
315.1556091308594	96.0
317.25946044921875	132.0
318.65521240234375	104.0
319.2723083496094	112.0
319.9771423339844	284.0
320.0338439941406	100.0
320.62939453125	108.0
321.3260192871094	132.0
322.9415588378906	116.0
323.0238037109375	100.0
323.2016906738281	204.0
323.2869873046875	108.0
323.4786682128906	172.0
324.6859436035156	104.0
325.2059631347656	140.0
326.3527526855469	124.0
330.57373046875	96.0
338.8548583984375	152.0
351.63299560546875	120.0
358.4866943359375	144.0
385.0457458496094	140.0
386.34344482421875	148.0
395.23126220703125	152.0
397.85498046875	172.0
400.9894104003906	140.0
404.57635498046875	152.0
412.10113525390625	152.0
412.2223815917969	164.0
417.2616882324219	152.0
424.7038879394531	140.0
431.9508361816406	112.0
437.0740661621094	140.0
438.3190612792969	152.0
448.4239196777344	108.0
454.59637451171875	96.0
457.1556396484375	160.0
465.2413330078125	156.0
475.5070495605469	148.0
493.0345153808594	140.0
506.6979675292969	100.0
527.9566650390625	140.0
539.3358154296875	144.0
586.510498046875	104.0
586.7393188476562	140.0
624.5929565429688	120.0
665.538818359375	172.0
711.9667358398438	124.0
715.940185546875	140.0
771.3470458984375	100.0
798.66259765625	156.0
830.30859375	96.0
1228.2015380859375	156.0
1384.7059326171875	148.0
1447.2760009765625	144.0
1506.358154296875	164.0
1513.9068603515625	196.0
1515.62646484375	160.0
1533.00146484375	164.0
1576.5638427734375	144.0
1610.2054443359375	168.0
1613.821044921875	156.0
1617.6370849609375	144.0
1644.02392578125	156.0
1680.01708984375	176.0
1694.83154296875	152.0
1695.151123046875	152.0
1741.91552734375	140.0
1749.5078125	152.0
1753.8060302734375	148.0
1792.4072265625	140.0
1797.1881103515625	160.0
1798.4371337890625	232.0
1823.762451171875	156.0
1826.9937744140625	188.0
1847.9385986328125	140.0
1867.8155517578125	152.0
1871.65380859375	152.0
1879.5838623046875	144.0
1883.2734375	128.0
1890.63623046875	164.0
1913.351806640625	152.0
1915.189208984375	180.0
1933.593994140625	180.0
1934.6715087890625	152.0
1943.3822021484375	212.0
1949.55517578125	220.0
1949.81884765625	156.0
1957.7188720703125	148.0
1961.2164306640625	200.0
1968.22119140625	152.0
1977.07861328125	204.0
1984.5281982421875	156.0
1987.0736083984375	152.0
1991.9296875	264.0
1992.7647705078125	260.0
1993.7510986328125	160.0
1997.654296875	208.0
1998.641845703125	164.0
1999.69189453125	176.0
2003.2713623046875	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078929
PEPMASS=433.298096
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=32.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=LATANOPROST [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc2ccccc2
INCHI=InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1
INCHIAUX=GGXICVAJURFBLW-CEYXHVGTSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078929
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078929
SCANS=1991
44.950233459472656	152.0
45.395687103271484	164.0
45.4520263671875	168.0
46.43413162231445	196.0
47.11746597290039	204.0
47.87186813354492	160.0
48.26791000366211	212.0
48.36890411376953	160.0
49.268638610839844	228.0
50.17525863647461	140.0
50.43217468261719	200.0
52.41598129272461	168.0
54.51884841918945	172.0
54.71742248535156	144.0
55.03736877441406	152.0
55.120086669921875	148.0
55.46343994140625	156.0
57.221778869628906	200.0
59.86375427246094	152.0
59.92844772338867	200.0
60.44107437133789	176.0
61.030494689941406	164.0
61.063148498535156	164.0
62.40585708618164	192.0
62.89796829223633	176.0
63.82158660888672	188.0
63.90906524658203	160.0
65.02826690673828	192.0
67.5015869140625	172.0
67.59973907470703	200.0
68.23451232910156	192.0
68.42535400390625	140.0
68.46322631835938	168.0
68.76162719726562	176.0
68.84087371826172	188.0
70.27337646484375	148.0
71.23600769042969	144.0
71.34019470214844	148.0
71.62626647949219	160.0
72.2652587890625	148.0
72.36087036132812	196.0
77.11788177490234	160.0
77.81332397460938	220.0
78.14550018310547	180.0
78.38496398925781	156.0
78.57186126708984	156.0
79.18523406982422	156.0
82.67108917236328	176.0
82.83403778076172	188.0
83.53836822509766	144.0
84.35714721679688	160.0
84.94313049316406	324.0
85.38761901855469	168.0
85.93840789794922	160.0
86.94691467285156	152.0
87.36312103271484	180.0
87.52876281738281	152.0
89.8604965209961	160.0
91.0551986694336	1144.0
91.88487243652344	180.0
92.05923461914062	196.0
92.94485473632812	212.0
93.0350570678711	168.0
93.06664276123047	148.0
94.28262329101562	196.0
95.05005645751953	220.0
95.0854721069336	240.0
95.63501739501953	180.0
95.78299713134766	148.0
96.0305404663086	156.0
96.6137466430664	148.0
96.64002227783203	140.0
97.06957244873047	176.0
97.86084747314453	152.0
99.76805877685547	200.0
101.06075286865234	388.0
102.2524185180664	208.0
102.40140533447266	160.0
102.56661987304688	144.0
103.05429077148438	468.0
104.06161499023438	184.0
104.37654876708984	144.0
104.70011138916016	152.0
105.03202056884766	160.0
105.06995391845703	6212.0
105.26907348632812	144.0
106.07588195800781	140.0
106.0936279296875	204.0
106.45884704589844	276.0
107.04842376708984	424.0
107.06551361083984	160.0
107.0854263305664	576.0
107.18087005615234	176.0
107.53350830078125	208.0
108.10597229003906	152.0
109.06361389160156	296.0
109.10240173339844	128.0
109.64273834228516	168.0
110.87996673583984	172.0
110.91979217529297	152.0
111.041259765625	184.0
111.08377075195312	488.0
112.5798110961914	180.0
113.05904388427734	492.0
113.48334503173828	192.0
113.74640655517578	176.0
114.05653381347656	148.0
114.07353973388672	228.0
114.74199676513672	148.0
115.03639221191406	144.0
115.05381774902344	324.0
116.05689239501953	168.0
116.14910888671875	188.0
116.52693176269531	204.0
117.06986236572266	2828.0
117.11161041259766	176.0
117.15811920166016	156.0
117.73750305175781	200.0
118.07132720947266	488.0
118.08978271484375	260.0
118.44042205810547	156.0
118.81544494628906	220.0
119.04769134521484	224.0
119.08748626708984	708.0
119.44324493408203	144.0
120.09012603759766	176.0
120.47432708740234	168.0
120.61418151855469	156.0
120.93133544921875	144.0
121.06465911865234	340.0
121.10102844238281	480.0
122.38899993896484	164.0
122.41542053222656	144.0
122.81874084472656	180.0
123.08577728271484	188.0
124.08142852783203	188.0
125.0321273803711	176.0
125.0621109008789	212.0
126.95787048339844	156.0
127.03636932373047	184.0
127.0545883178711	164.0
127.0849838256836	384.0
127.11041259765625	208.0
127.98929595947266	160.0
128.0630340576172	548.0
128.09063720703125	148.0
128.77633666992188	176.0
128.87841796875	192.0
129.07003784179688	1720.0
129.4502716064453	176.0
130.07595825195312	156.0
130.6759796142578	140.0
130.70327758789062	172.0
131.05165100097656	268.0
131.08592224121094	7888.0
131.55770874023438	112.0
132.08966064453125	1468.0
132.5230712890625	148.0
132.9679412841797	156.0
133.06399536132812	936.0
133.10218811035156	1080.0
134.0707550048828	132.0
134.10459899902344	520.0
134.20553588867188	188.0
135.08033752441406	352.0
135.1199951171875	192.0
135.19882202148438	160.0
135.22659301757812	152.0
136.08766174316406	240.0
136.11659240722656	180.0
137.05885314941406	148.0
137.0913543701172	188.0
139.07473754882812	148.0
140.89263916015625	148.0
141.07009887695312	2300.0
141.25772094726562	120.0
141.4365234375	156.0
141.56910705566406	248.0
142.07545471191406	620.0
142.3611602783203	148.0
142.63890075683594	200.0
143.08477783203125	4196.0
144.0884246826172	996.0
144.1235809326172	132.0
144.85595703125	140.0
145.1012725830078	3368.0
145.97438049316406	160.0
146.10330200195312	1012.0
146.15237426757812	252.0
146.3979034423828	152.0
146.67738342285156	196.0
147.08238220214844	660.0
147.11778259277344	2856.0
148.08224487304688	120.0
148.12220764160156	300.0
148.29440307617188	220.0
148.33802795410156	140.0
149.09591674804688	1288.0
149.31167602539062	208.0
150.25921630859375	144.0
151.1131591796875	188.0
151.24403381347656	152.0
151.8663787841797	192.0
152.06265258789062	172.0
153.06890869140625	176.0
153.08921813964844	204.0
153.9459991455078	212.0
154.92544555664062	188.0
155.0847625732422	1376.0
155.38656616210938	148.0
155.7316131591797	220.0
156.09120178222656	356.0
156.45521545410156	188.0
156.91860961914062	164.0
156.9503631591797	168.0
157.10073852539062	1708.0
157.52503967285156	172.0
157.81494140625	164.0
158.10400390625	688.0
158.57594299316406	176.0
159.08094787597656	304.0
159.11630249023438	940.0
160.08387756347656	156.0
160.12405395507812	296.0
161.09617614746094	896.0
161.1331329345703	1276.0
162.10220336914062	164.0
162.13623046875	444.0
163.0779571533203	220.0
163.1099090576172	380.0
163.14988708496094	148.0
164.72219848632812	172.0
164.79116821289062	252.0
165.0685577392578	180.0
165.0904541015625	384.0
165.12603759765625	212.0
165.87368774414062	144.0
166.07907104492188	132.0
166.28407287597656	224.0
167.08590698242188	1060.0
167.10910034179688	472.0
168.08450317382812	296.0
169.1007843017578	1784.0
170.10214233398438	400.0
170.31971740722656	168.0
171.07901000976562	152.0
171.11685180664062	6044.0
172.1207275390625	760.0
172.30210876464844	140.0
173.0964813232422	540.0
173.13026428222656	956.0
174.13720703125	168.0
174.5325469970703	140.0
175.06935119628906	164.0
175.1111602783203	888.0
176.06356811523438	216.0
176.1533660888672	196.0
177.12828063964844	428.0
177.1638946533203	156.0
178.12948608398438	184.0
178.28890991210938	180.0
179.08750915527344	336.0
179.69216918945312	160.0
180.09085083007812	212.0
180.1112823486328	160.0
180.82904052734375	116.0
181.10205078125	2440.0
181.18605041503906	156.0
181.2161407470703	144.0
182.1075439453125	604.0
183.11961364746094	800.0
183.1826629638672	216.0
184.0645751953125	148.0
184.12310791015625	320.0
184.36712646484375	160.0
185.09698486328125	292.0
185.1331024169922	688.0
186.10789489746094	152.0
186.1395263671875	132.0
187.11154174804688	1208.0
187.14813232421875	2020.0
187.59161376953125	140.0
188.11654663085938	692.0
188.15245056152344	532.0
189.0665283203125	168.0
189.12744140625	4672.0
190.1315460205078	512.0
190.20394897460938	232.0
191.1043701171875	128.0
191.13906860351562	140.0
192.08441162109375	144.0
192.1385040283203	160.0
192.71829223632812	160.0
193.12315368652344	912.0
193.41796875	212.0
194.1029815673828	312.0
194.12998962402344	148.0
195.1180419921875	584.0
195.13429260253906	764.0
195.1907501220703	156.0
196.1229705810547	136.0
197.09332275390625	168.0
197.1342010498047	940.0
198.13880920410156	344.0
199.1233367919922	148.0
199.14991760253906	696.0
200.15052795410156	196.0
200.63938903808594	152.0
201.12574768066406	324.0
203.14479064941406	600.0
203.18228149414062	184.0
204.09735107421875	140.0
204.1447296142578	164.0
205.1233673095703	896.0
205.1595001220703	1364.0
206.11053466796875	132.0
206.15945434570312	232.0
207.13790893554688	5944.0
208.1393585205078	948.0
209.1321563720703	6356.0
210.13658142089844	900.0
211.11251831054688	232.0
211.14584350585938	956.0
212.1538848876953	248.0
213.12583923339844	420.0
213.1488800048828	244.0
213.6426239013672	144.0
214.1665802001953	236.0
215.10025024414062	136.0
215.14183044433594	1800.0
216.14405822753906	300.0
217.10089111328125	156.0
217.16293334960938	128.0
218.11053466796875	148.0
218.9308624267578	152.0
219.11978149414062	992.0
220.1254425048828	196.0
220.4095916748047	144.0
221.13140869140625	1152.0
221.15040588378906	1696.0
222.10299682617188	168.0
222.14796447753906	380.0
223.11180114746094	260.0
223.14801025390625	1316.0
224.13600158691406	180.0
224.15611267089844	204.0
224.68804931640625	196.0
225.12600708007812	776.0
225.1622314453125	464.0
226.1243133544922	272.0
226.17002868652344	316.0
226.9551239013672	160.0
227.06907653808594	196.0
227.1431121826172	2392.0
227.1750030517578	128.0
228.14093017578125	352.0
229.1499786376953	160.0
231.11404418945312	500.0
231.1823272705078	220.0
232.12803649902344	136.0
232.15216064453125	120.0
233.1515655517578	1472.0
234.1548309326172	392.0
235.05580139160156	192.0
235.14881896972656	2524.0
236.1555938720703	780.0
236.2014617919922	168.0
237.1240692138672	236.0
237.15638732910156	332.0
237.18548583984375	684.0
237.27633666992188	196.0
238.12632751464844	160.0
238.1670684814453	168.0
238.19078063964844	512.0
238.3628692626953	152.0
239.14341735839844	1116.0
240.13926696777344	132.0
241.1178741455078	168.0
241.15408325195312	428.0
242.1694793701172	116.0
242.48580932617188	160.0
243.13011169433594	96.0
243.17422485351562	304.0
244.18211364746094	96.0
245.1520538330078	300.0
246.16140747070312	412.0
247.1475372314453	120.0
247.17137145996094	328.0
248.1750030517578	172.0
249.1842498779297	3448.0
250.18487548828125	988.0
251.1879119873047	284.0
252.14793395996094	160.0
252.18679809570312	212.0
252.84971618652344	156.0
253.15927124023438	936.0
254.16844177246094	172.0
255.1399383544922	220.0
257.15374755859375	156.0
258.1929626464844	120.0
258.38006591796875	152.0
259.16717529296875	524.0
260.1723937988281	184.0
261.17730712890625	156.0
263.1495361328125	184.0
263.19952392578125	3104.0
264.2015380859375	732.0
265.2152404785156	332.0
265.92047119140625	168.0
266.18994140625	176.0
266.2126770019531	200.0
267.1617431640625	148.0
267.194580078125	204.0
269.1596374511719	192.0
269.3588562011719	164.0
269.78692626953125	204.0
271.16680908203125	408.0
273.16162109375	524.0
273.1974792480469	200.0
274.53802490234375	148.0
275.19818115234375	456.0
276.195556640625	324.0
277.1968078613281	440.0
278.1763916015625	116.0
278.4963073730469	148.0
281.2104187011719	316.0
282.23541259765625	188.0
283.7152404785156	144.0
285.282958984375	188.0
285.979248046875	148.0
286.19134521484375	188.0
288.2068786621094	276.0
290.23583984375	172.0
291.1718444824219	924.0
291.2135009765625	780.0
292.1770935058594	148.0
292.21343994140625	348.0
293.1954650878906	312.0
294.2449951171875	128.0
294.5443420410156	148.0
295.1753234863281	148.0
295.203369140625	164.0
297.190673828125	348.0
300.1935729980469	140.0
301.1940612792969	4792.0
301.5675964355469	180.0
302.0931701660156	168.0
302.1986389160156	648.0
303.2034606933594	224.0
309.1846008300781	160.0
309.21929931640625	620.0
310.11944580078125	252.0
310.2244873046875	120.0
311.22418212890625	152.0
311.79705810546875	164.0
312.1977233886719	140.0
313.2114562988281	160.0
314.0891418457031	148.0
314.8620910644531	252.0
317.1907958984375	256.0
318.8690185546875	140.0
319.0758361816406	164.0
319.2063903808594	13708.0
319.2778625488281	152.0
319.5339660644531	152.0
319.644287109375	180.0
319.7027893066406	100.0
320.20806884765625	4104.0
320.2708435058594	156.0
320.2957763671875	168.0
321.2093505859375	228.0
322.2163391113281	208.0
322.3745422363281	104.0
322.4792785644531	96.0
329.204833984375	152.0
333.207275390625	156.0
333.2508850097656	144.0
334.21630859375	176.0
335.1997985839844	192.0
336.0981750488281	264.0
336.195068359375	144.0
336.9945068359375	132.0
337.0657958984375	156.0
337.2168273925781	26780.0
337.345703125	136.0
337.4989929199219	128.0
337.5943298339844	96.0
337.7364501953125	116.0
338.0506591796875	144.0
338.2193908691406	6376.0
338.3611755371094	220.0
338.39581298828125	116.0
338.94122314453125	156.0
339.2209777832031	1068.0
340.2205810546875	120.0
340.3052978515625	108.0
343.24365234375	344.0
344.2398986816406	212.0
345.2561340332031	172.0
352.71826171875	192.0
353.2567138671875	160.0
354.8427734375	100.0
355.2272033691406	10524.0
355.7261962890625	144.0
356.23077392578125	2080.0
356.3162536621094	184.0
357.23016357421875	412.0
361.2513732910156	728.0
362.25732421875	332.0
363.2563171386719	152.0
364.378173828125	180.0
366.6078796386719	148.0
371.25604248046875	296.0
373.1869201660156	128.0
373.23919677734375	488.0
374.2413330078125	260.0
375.23602294921875	100.0
379.12860107421875	144.0
379.2627258300781	11720.0
379.4493713378906	132.0
379.79266357421875	116.0
380.2657470703125	4248.0
381.2671203613281	916.0
382.27581787109375	412.0
383.3410949707031	140.0
395.0691833496094	140.0
396.9980773925781	228.0
397.2732849121094	9428.0
397.3565673828125	152.0
398.2766418457031	2212.0
398.3475341796875	176.0
399.2763366699219	484.0
400.2724304199219	260.0
400.69281005859375	120.0
415.2829284667969	1788.0
416.2864685058594	296.0
417.2867126464844	248.0
432.2029113769531	156.0
433.2886657714844	300.0
434.2875061035156	120.0
435.2785339355469	144.0
443.3805236816406	120.0
912.837158203125	152.0
1127.1529541015625	188.0
1139.4544677734375	168.0
1162.024658203125	172.0
1213.2442626953125	172.0
1228.8995361328125	180.0
1233.44580078125	144.0
1247.6341552734375	228.0
1384.824951171875	156.0
1453.00634765625	220.0
1474.4029541015625	196.0
1493.3936767578125	152.0
1496.6412353515625	168.0
1501.4034423828125	160.0
1533.4461669921875	156.0
1568.230224609375	160.0
1568.947509765625	196.0
1624.296630859375	156.0
1640.314453125	148.0
1651.3359375	192.0
1651.400634765625	172.0
1706.06787109375	196.0
1716.5655517578125	296.0
1721.574462890625	152.0
1734.35693359375	140.0
1767.4609375	176.0
1767.8206787109375	196.0
1772.350830078125	168.0
1776.6182861328125	168.0
1777.4656982421875	140.0
1778.27978515625	200.0
1786.076904296875	160.0
1792.9388427734375	140.0
1796.5728759765625	212.0
1808.88525390625	204.0
1810.2144775390625	184.0
1837.9765625	148.0
1846.1173095703125	184.0
1850.3184814453125	188.0
1878.5750732421875	140.0
1881.871826171875	164.0
1897.18505859375	200.0
1905.5772705078125	200.0
1907.5587158203125	152.0
1909.3062744140625	160.0
1920.6287841796875	172.0
1922.4609375	160.0
1946.094970703125	176.0
1952.193115234375	164.0
1953.7410888671875	140.0
1962.072265625	180.0
1965.1943359375	196.0
1970.2708740234375	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078930
PEPMASS=465.106384
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=HYPEROSIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@H]1O
INCHI=InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1
INCHIAUX=OVSQVDMCBVZWGM-DTGCRPNFSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078930
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078930
SCANS=1065
51.17271423339844	204.0
57.8468132019043	204.0
62.050079345703125	140.0
73.18096923828125	176.0
78.39734649658203	160.0
81.671630859375	144.0
83.92633819580078	188.0
89.58341217041016	156.0
92.93914794921875	220.0
96.28430938720703	168.0
96.98670196533203	176.0
97.02932739257812	408.0
98.09336853027344	140.0
109.03094482421875	156.0
110.06000518798828	156.0
112.95855712890625	120.0
113.77194213867188	156.0
115.04117584228516	208.0
124.51419830322266	168.0
124.74304962158203	156.0
127.03836822509766	252.0
135.0230712890625	156.0
137.02239990234375	188.0
137.05892944335938	184.0
140.31687927246094	188.0
145.04835510253906	668.0
145.85183715820312	148.0
149.02491760253906	180.0
153.02154541015625	360.0
154.02017211914062	144.0
155.04844665527344	232.0
157.91505432128906	188.0
161.056884765625	316.0
162.81712341308594	208.0
163.05702209472656	140.0
165.02174377441406	248.0
166.02146911621094	272.0
166.7618865966797	156.0
176.04518127441406	144.0
177.05274963378906	148.0
179.0338897705078	200.0
185.0976104736328	152.0
186.17416381835938	224.0
189.4718780517578	172.0
190.1299591064453	172.0
191.044921875	200.0
191.11968994140625	208.0
195.06019592285156	156.0
197.3238525390625	236.0
198.306396484375	160.0
201.05247497558594	148.0
203.44873046875	180.0
204.457763671875	160.0
205.01878356933594	164.0
205.04159545898438	168.0
207.08436584472656	160.0
209.16604614257812	156.0
209.7738494873047	208.0
219.06732177734375	172.0
223.94296264648438	204.0
226.161376953125	148.0
226.36795043945312	240.0
229.0475616455078	984.0
230.60081481933594	156.0
246.1520538330078	184.0
247.05960083007812	280.0
247.32925415039062	176.0
247.64236450195312	164.0
247.7425994873047	244.0
255.4834747314453	152.0
257.0426330566406	448.0
257.97406005859375	180.0
259.052490234375	272.0
261.0327453613281	156.0
274.04937744140625	320.0
275.05523681640625	328.0
283.1658630371094	168.0
285.0386047363281	540.0
291.2235412597656	160.0
291.4715270996094	152.0
292.65179443359375	220.0
301.04144287109375	140.0
301.9366455078125	144.0
302.0370788574219	204.0
302.68634033203125	132.0
302.8375549316406	144.0
302.879638671875	132.0
302.9102783203125	148.0
302.98504638671875	124.0
303.0505065917969	51828.0
303.3511657714844	104.0
303.4855651855469	180.0
303.54571533203125	128.0
303.71185302734375	132.0
304.0535583496094	10120.0
304.21844482421875	112.0
304.46759033203125	208.0
305.0577392578125	1000.0
305.6625061035156	120.0
305.6982421875	148.0
305.8260192871094	100.0
305.9708251953125	112.0
306.05938720703125	556.0
306.3021240234375	140.0
306.809326171875	184.0
351.5046691894531	164.0
399.1307067871094	196.0
465.1077575683594	280.0
465.2335205078125	156.0
466.1095886230469	260.0
1277.712890625	192.0
1508.5	224.0
1638.921142578125	168.0
1776.862548828125	172.0
1943.498046875	144.0
1953.20556640625	200.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078931
PEPMASS=334.1604
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=PEFLOXACIN MESYLATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCN(C)CC3
INCHI=InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)
INCHIAUX=FHFYDNQZQSQIAI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078931
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078931
SCANS=1030
45.228759765625	172.0
46.36772537231445	180.0
46.99871063232422	200.0
47.38016891479492	200.0
47.99177932739258	144.0
48.632293701171875	212.0
48.71421813964844	148.0
48.8434944152832	152.0
48.9200325012207	224.0
49.176509857177734	172.0
50.00202941894531	176.0
50.15132522583008	188.0
50.384159088134766	148.0
52.293601989746094	184.0
52.51837158203125	156.0
52.63382339477539	180.0
53.16218566894531	212.0
54.9340934753418	264.0
55.0137825012207	176.0
56.21304702758789	160.0
56.771034240722656	216.0
57.08488845825195	140.0
57.46748352050781	144.0
58.60160827636719	148.0
59.270851135253906	160.0
63.18245315551758	144.0
63.641357421875	220.0
64.60951232910156	196.0
65.92639923095703	148.0
66.3910140991211	172.0
66.52731323242188	180.0
66.87516784667969	184.0
68.24606323242188	148.0
68.60826873779297	184.0
68.64289093017578	208.0
69.29910278320312	196.0
70.2597427368164	144.0
70.36688232421875	140.0
70.63594055175781	140.0
70.72964477539062	156.0
70.98429870605469	140.0
71.60946655273438	148.0
71.98892211914062	184.0
72.4523696899414	148.0
72.79328918457031	160.0
72.9563980102539	200.0
74.06729888916016	196.0
74.70414733886719	204.0
74.87454986572266	140.0
74.93828582763672	140.0
75.50414276123047	144.0
75.7779769897461	192.0
76.08148193359375	212.0
76.1457290649414	180.0
77.24032592773438	148.0
77.42059326171875	152.0
78.94990539550781	216.0
79.94868469238281	184.0
80.1053695678711	180.0
81.93084716796875	164.0
82.32585906982422	144.0
83.16954803466797	164.0
85.09366607666016	196.0
85.79460906982422	260.0
85.90709686279297	216.0
86.08797454833984	192.0
86.33745574951172	164.0
86.9599609375	148.0
87.3929443359375	224.0
87.47296905517578	164.0
88.31076049804688	204.0
88.5540771484375	236.0
91.42462921142578	160.0
91.75143432617188	168.0
93.9415054321289	176.0
94.05728912353516	156.0
94.31805419921875	180.0
94.79415130615234	160.0
95.06951904296875	184.0
95.18987274169922	160.0
95.2384262084961	152.0
96.13399505615234	168.0
96.15155792236328	188.0
96.33447265625	136.0
96.54814910888672	140.0
96.61660766601562	156.0
97.71526336669922	160.0
97.77626037597656	232.0
98.0885238647461	160.0
98.55913543701172	164.0
100.08446502685547	160.0
100.88650512695312	156.0
101.01248168945312	280.0
101.15055847167969	156.0
101.90660858154297	144.0
102.15589904785156	200.0
102.32494354248047	184.0
103.45954895019531	204.0
103.65803527832031	148.0
103.86280059814453	176.0
104.81017303466797	200.0
105.091552734375	260.0
105.13032531738281	152.0
105.25484466552734	176.0
105.5384521484375	140.0
106.04654693603516	196.0
106.12034606933594	148.0
106.4198989868164	168.0
106.8906021118164	256.0
107.21184539794922	176.0
107.54142761230469	204.0
107.9405517578125	184.0
108.08740997314453	172.0
108.49958038330078	152.0
109.32418060302734	140.0
109.47406768798828	152.0
109.84296417236328	176.0
110.0474853515625	152.0
110.5428695678711	156.0
110.70405578613281	148.0
110.98904418945312	156.0
112.51020812988281	200.0
113.08304595947266	144.0
113.27572631835938	188.0
113.29691314697266	152.0
114.49488830566406	172.0
114.9681625366211	172.0
115.02152252197266	220.0
115.22439575195312	160.0
115.33551788330078	156.0
115.81694793701172	160.0
117.0324478149414	152.0
117.06259155273438	268.0
118.0163345336914	172.0
118.0617446899414	168.0
118.28459167480469	200.0
119.35415649414062	140.0
119.59999084472656	140.0
119.90055084228516	188.0
122.03923034667969	164.0
123.92414855957031	172.0
124.112548828125	196.0
124.68082427978516	144.0
124.83866119384766	164.0
125.71636962890625	148.0
126.21897888183594	196.0
127.46527862548828	156.0
127.57540130615234	156.0
127.81380462646484	152.0
128.04786682128906	240.0
128.43333435058594	248.0
129.07472229003906	168.0
129.1018524169922	184.0
129.2760467529297	172.0
129.99212646484375	176.0
130.85357666015625	164.0
131.7165985107422	116.0
132.89572143554688	212.0
133.251220703125	180.0
133.40213012695312	140.0
134.05348205566406	144.0
134.91671752929688	140.0
135.42300415039062	140.0
136.05581665039062	464.0
136.163330078125	164.0
136.7050018310547	148.0
136.82835388183594	148.0
136.90985107421875	192.0
137.3270263671875	188.0
137.80323791503906	188.0
137.86166381835938	148.0
138.25686645507812	160.0
138.31069946289062	140.0
138.4043426513672	180.0
138.74876403808594	192.0
138.96218872070312	180.0
139.1804656982422	164.0
139.39422607421875	184.0
139.43417358398438	148.0
139.6739959716797	152.0
140.06944274902344	160.0
140.28152465820312	220.0
141.65208435058594	140.0
142.0689697265625	224.0
142.2514190673828	216.0
142.39212036132812	188.0
142.57029724121094	144.0
143.03408813476562	172.0
143.07139587402344	136.0
143.77293395996094	152.0
144.05467224121094	164.0
144.07308959960938	164.0
144.09768676757812	156.0
145.05514526367188	180.0
146.0177459716797	200.0
146.03778076171875	248.0
146.52565002441406	160.0
146.7594451904297	264.0
146.89932250976562	164.0
147.2637939453125	188.0
147.739990234375	172.0
148.0134735107422	168.0
148.0545654296875	352.0
148.61216735839844	164.0
148.6364288330078	164.0
148.93746948242188	140.0
149.02777099609375	220.0
149.07974243164062	136.0
149.4973602294922	152.0
149.68896484375	188.0
150.83563232421875	160.0
151.08261108398438	176.0
151.10501098632812	128.0
152.05784606933594	236.0
153.0362091064453	228.0
153.86708068847656	152.0
154.23020935058594	148.0
154.65316772460938	204.0
154.83389282226562	172.0
155.34201049804688	152.0
155.74412536621094	156.0
155.90065002441406	152.0
156.06593322753906	156.0
156.09703063964844	204.0
157.072509765625	148.0
157.4552001953125	164.0
157.71253967285156	152.0
158.08018493652344	156.0
158.1027069091797	216.0
158.26040649414062	176.0
159.08773803710938	148.0
159.35897827148438	148.0
159.6505584716797	192.0
159.70230102539062	156.0
160.23956298828125	164.0
160.36807250976562	244.0
160.91043090820312	160.0
161.04257202148438	160.0
162.03689575195312	248.0
162.07325744628906	228.0
162.3248291015625	244.0
162.92636108398438	152.0
163.04220581054688	364.0
163.06668090820312	700.0
163.43992614746094	140.0
164.04978942871094	708.0
164.0845947265625	252.0
164.5460968017578	200.0
165.05467224121094	156.0
165.08203125	176.0
165.10824584960938	168.0
165.42039489746094	148.0
165.65599060058594	192.0
166.0276336669922	156.0
167.05245971679688	152.0
167.28919982910156	208.0
168.3411407470703	212.0
169.0753173828125	208.0
170.29644775390625	148.0
170.94638061523438	140.0
171.0955047607422	308.0
171.9523162841797	180.0
172.07766723632812	388.0
172.43548583984375	148.0
172.9088592529297	180.0
172.93603515625	156.0
173.04368591308594	160.0
173.0753936767578	136.0
173.1444854736328	152.0
173.50083923339844	204.0
173.71034240722656	148.0
173.98800659179688	172.0
174.07933044433594	312.0
174.1135711669922	112.0
175.0670928955078	444.0
175.11160278320312	156.0
176.0540008544922	640.0
176.0764617919922	1924.0
176.5790252685547	160.0
177.05892944335938	808.0
177.08226013183594	1200.0
177.42901611328125	168.0
177.67816162109375	144.0
177.72369384765625	184.0
178.0352020263672	156.0
178.0638885498047	472.0
178.107177734375	248.0
178.5937042236328	160.0
179.06344604492188	216.0
179.69357299804688	132.0
179.8897705078125	156.0
180.06065368652344	160.0
180.53367614746094	172.0
180.89219665527344	140.0
180.98866271972656	128.0
181.07427978515625	148.0
181.3797149658203	164.0
182.95387268066406	184.0
183.09393310546875	140.0
183.99989318847656	140.0
184.0638885498047	896.0
184.09852600097656	140.0
184.1186981201172	144.0
184.33033752441406	196.0
185.01368713378906	180.0
185.07101440429688	1316.0
185.10525512695312	440.0
186.07159423828125	488.0
186.12530517578125	188.0
186.41867065429688	160.0
186.47030639648438	148.0
187.0674285888672	944.0
187.09815979003906	180.0
187.36280822753906	164.0
188.05404663085938	296.0
188.0732421875	272.0
188.3694305419922	144.0
188.79307556152344	144.0
188.907958984375	160.0
189.0432586669922	452.0
189.08106994628906	152.0
189.10400390625	356.0
189.8062744140625	184.0
189.90225219726562	172.0
190.0644073486328	932.0
191.06802368164062	880.0
191.11647033691406	140.0
191.3889617919922	172.0
191.72227478027344	160.0
192.08119201660156	1296.0
192.95057678222656	188.0
193.08482360839844	160.0
193.11322021484375	288.0
193.29556274414062	176.0
194.77955627441406	144.0
194.82955932617188	152.0
195.03131103515625	336.0
195.08799743652344	148.0
196.0972900390625	164.0
196.41627502441406	188.0
196.5418243408203	148.0
196.95498657226562	160.0
197.0751190185547	204.0
197.1066436767578	216.0
198.0542449951172	148.0
198.07936096191406	472.0
198.1099395751953	212.0
198.48582458496094	160.0
198.56996154785156	148.0
198.63726806640625	148.0
198.8589324951172	172.0
199.0835418701172	556.0
199.1189422607422	344.0
199.7862091064453	220.0
200.0825653076172	156.0
200.8311309814453	132.0
201.02471923828125	252.0
201.06544494628906	148.0
201.1056671142578	204.0
202.0596160888672	288.0
202.2808074951172	144.0
202.46200561523438	148.0
202.83033752441406	184.0
203.00450134277344	132.0
203.0281982421875	132.0
203.06320190429688	6068.0
203.0998077392578	324.0
203.4840087890625	140.0
203.7241973876953	148.0
204.06983947753906	10080.0
204.12060546875	152.0
204.2159423828125	160.0
205.02735900878906	248.0
205.07774353027344	18388.0
205.15846252441406	256.0
205.9455108642578	152.0
206.08233642578125	1900.0
206.1227264404297	188.0
206.2476043701172	124.0
207.0041961669922	152.0
207.09307861328125	604.0
207.18463134765625	180.0
207.5916290283203	164.0
208.09951782226562	176.0
209.05374145507812	140.0
209.47581481933594	140.0
209.6086883544922	156.0
210.0420379638672	156.0
210.06890869140625	252.0
210.4056396484375	220.0
211.08277893066406	180.0
211.1337890625	180.0
211.86318969726562	164.0
212.08018493652344	472.0
212.11639404296875	320.0
212.87252807617188	140.0
213.101806640625	1204.0
213.45370483398438	160.0
213.80569458007812	188.0
213.90756225585938	140.0
214.1019287109375	160.0
214.3560791015625	268.0
214.74964904785156	188.0
215.02330017089844	136.0
215.06686401367188	164.0
215.0986785888672	956.0
215.14183044433594	172.0
215.19027709960938	184.0
215.89157104492188	160.0
216.02610778808594	160.0
216.07081604003906	656.0
216.11016845703125	328.0
216.582275390625	184.0
216.61741638183594	168.0
216.76390075683594	164.0
217.04237365722656	328.0
217.07611083984375	1948.0
217.1085205078125	144.0
217.29168701171875	208.0
217.68792724609375	200.0
217.7466583251953	148.0
218.08514404296875	2648.0
218.35797119140625	212.0
218.8523406982422	300.0
218.92596435546875	144.0
219.0937957763672	8376.0
219.5711212158203	100.0
219.92245483398438	188.0
220.06414794921875	140.0
220.0944061279297	1604.0
221.07455444335938	164.0
221.0797882080078	196.0
221.0918731689453	260.0
221.30003356933594	188.0
221.54583740234375	200.0
222.0799560546875	208.0
223.05816650390625	176.0
223.09194946289062	236.0
223.1149139404297	160.0
223.6601104736328	144.0
223.6809539794922	176.0
224.07421875	196.0
224.8672332763672	148.0
225.01348876953125	144.0
225.0655059814453	124.0
225.12400817871094	552.0
225.49441528320312	244.0
225.6917266845703	164.0
225.96389770507812	156.0
226.06353759765625	148.0
226.09996032714844	312.0
226.20330810546875	148.0
226.34788513183594	124.0
226.7858123779297	160.0
227.07679748535156	116.0
227.10606384277344	780.0
227.2534637451172	160.0
227.45626831054688	148.0
228.05482482910156	116.0
228.09201049804688	168.0
228.11338806152344	296.0
228.1568603515625	220.0
229.06500244140625	156.0
229.1658172607422	156.0
229.8337860107422	164.0
229.99070739746094	220.0
230.083740234375	284.0
230.88804626464844	196.0
230.95457458496094	148.0
231.02415466308594	152.0
231.0554962158203	592.0
231.09130859375	1100.0
231.15611267089844	136.0
231.67198181152344	164.0
231.72348022460938	232.0
231.76893615722656	188.0
232.0629425048828	160.0
232.09483337402344	384.0
232.17864990234375	200.0
232.27005004882812	132.0
232.76715087890625	172.0
232.9017333984375	128.0
233.04229736328125	188.0
233.07229614257812	172.0
233.10955810546875	91080.0
233.23316955566406	272.0
233.59954833984375	164.0
233.69900512695312	120.0
233.8271484375	144.0
234.06399536132812	172.0
234.1123809814453	11372.0
234.1941375732422	128.0
234.68991088867188	200.0
235.11207580566406	764.0
235.48731994628906	144.0
235.5686492919922	120.0
235.6085662841797	140.0
235.78579711914062	288.0
235.8545379638672	260.0
235.9286651611328	108.0
236.219970703125	212.0
236.92909240722656	136.0
237.06692504882812	156.0
237.1395263671875	164.0
238.0558319091797	156.0
238.07733154296875	160.0
238.12606811523438	152.0
238.3230743408203	168.0
238.64273071289062	172.0
239.0333709716797	140.0
239.0745086669922	128.0
239.11204528808594	120.0
239.136962890625	296.0
239.2734375	168.0
239.36505126953125	180.0
239.52720642089844	108.0
239.55984497070312	148.0
240.07969665527344	476.0
240.1102294921875	1460.0
240.14846801757812	648.0
241.07936096191406	296.0
241.12025451660156	2608.0
241.15110778808594	156.0
241.33441162109375	176.0
242.126953125	1652.0
242.19161987304688	220.0
242.30575561523438	128.0
242.57757568359375	144.0
242.713623046875	108.0
242.9945068359375	148.0
243.0560302734375	160.0
243.13185119628906	388.0
243.49737548828125	188.0
243.90750122070312	156.0
244.05702209472656	112.0
244.1283416748047	180.0
244.150146484375	156.0
244.80352783203125	164.0
244.97483825683594	140.0
245.07412719726562	368.0
245.10934448242188	3156.0
245.15159606933594	156.0
245.64959716796875	96.0
245.99142456054688	356.0
246.0779571533203	252.0
246.10910034179688	880.0
246.47238159179688	184.0
246.6536407470703	160.0
247.09207153320312	268.0
247.12222290039062	1068.0
247.16160583496094	180.0
247.81781005859375	172.0
247.8838653564453	96.0
247.94729614257812	148.0
248.12582397460938	288.0
249.0644073486328	180.0
249.3805694580078	188.0
249.56289672851562	188.0
249.86798095703125	168.0
250.28028869628906	152.0
251.08511352539062	200.0
251.82015991210938	132.0
252.08309936523438	248.0
252.5240020751953	180.0
253.08425903320312	396.0
253.1123504638672	136.0
255.07644653320312	188.0
255.1371612548828	232.0
255.4803009033203	208.0
256.046875	148.0
256.1347961425781	136.0
257.1033020019531	296.0
257.6628112792969	148.0
257.74078369140625	140.0
257.77911376953125	144.0
258.0635986328125	144.0
258.1170959472656	272.0
258.6618347167969	216.0
259.0853576660156	292.0
259.26397705078125	168.0
259.70318603515625	188.0
260.0862121582031	152.0
260.12298583984375	168.0
260.1562805175781	216.0
260.3964538574219	152.0
261.0967102050781	152.0
261.12774658203125	1380.0
261.1541748046875	460.0
261.3319091796875	140.0
261.9210205078125	172.0
262.1329345703125	396.0
262.1770935058594	168.0
262.207763671875	156.0
263.0899658203125	172.0
264.14776611328125	104.0
264.5495300292969	140.0
264.64666748046875	156.0
266.19659423828125	196.0
266.9513244628906	140.0
267.0966796875	1256.0
267.239990234375	148.0
267.9855651855469	212.0
268.107666015625	1480.0
268.14617919921875	1348.0
268.9900207519531	160.0
269.1058349609375	256.0
269.15435791015625	308.0
269.33941650390625	172.0
269.89825439453125	172.0
270.127197265625	152.0
270.160888671875	2060.0
271.1258239746094	140.0
271.1614990234375	600.0
271.552001953125	180.0
272.0843200683594	532.0
272.155517578125	288.0
273.0912170410156	404.0
273.1255187988281	1384.0
273.9580993652344	200.0
274.09381103515625	148.0
274.1354675292969	556.0
274.2315979003906	204.0
275.1250915527344	132.0
275.2136535644531	120.0
276.49725341796875	156.0
276.7156982421875	172.0
277.0922546386719	348.0
277.2821350097656	164.0
278.0965576171875	152.0
279.2709045410156	144.0
279.706787109375	168.0
280.6329040527344	140.0
280.7862854003906	180.0
280.9815673828125	192.0
281.8979797363281	184.0
282.750732421875	160.0
282.8946533203125	196.0
283.557861328125	208.0
283.86962890625	144.0
284.456787109375	160.0
285.9626159667969	232.0
286.0299377441406	156.0
286.0968017578125	412.0
286.15447998046875	144.0
286.6731872558594	216.0
287.09918212890625	120.0
287.1376647949219	160.0
287.3531188964844	160.0
287.901123046875	208.0
287.9517822265625	148.0
288.1163330078125	2176.0
288.1505432128906	2720.0
288.48565673828125	172.0
288.93206787109375	236.0
289.1165771484375	628.0
289.1546936035156	676.0
289.3196716308594	112.0
289.5257263183594	112.0
289.88458251953125	124.0
289.93780517578125	248.0
290.0008850097656	212.0
290.02520751953125	176.0
290.1047668457031	164.0
290.167724609375	111424.0
290.25152587890625	184.0
290.4591369628906	108.0
290.572021484375	188.0
290.63323974609375	180.0
290.6772766113281	364.0
290.7250061035156	372.0
290.80169677734375	204.0
290.9388732910156	144.0
291.05517578125	280.0
291.1702575683594	17300.0
291.4239807128906	276.0
291.576904296875	152.0
291.60552978515625	204.0
291.7511901855469	100.0
292.1747741699219	2780.0
292.6025085449219	108.0
292.6563720703125	160.0
292.9636535644531	140.0
293.1228942871094	120.0
293.1702575683594	232.0
293.25445556640625	132.0
293.3947448730469	132.0
294.1222839355469	152.0
294.814453125	148.0
295.1280822753906	132.0
296.1393737792969	848.0
296.5941467285156	176.0
297.1302185058594	148.0
297.918701171875	216.0
298.3757629394531	160.0
298.42047119140625	156.0
298.7127685546875	140.0
298.9054260253906	140.0
299.5148010253906	176.0
299.64227294921875	216.0
299.70428466796875	164.0
301.1186218261719	192.0
302.03662109375	128.0
302.16253662109375	192.0
303.8289489746094	168.0
303.887939453125	140.0
304.1950988769531	220.0
304.2766418457031	188.0
306.1223449707031	280.0
306.21697998046875	188.0
306.4433898925781	196.0
307.0569152832031	164.0
307.2452697753906	160.0
308.67376708984375	160.0
309.11102294921875	152.0
311.3335266113281	164.0
311.7972412109375	164.0
312.4231262207031	156.0
313.486328125	116.0
314.050537109375	204.0
314.1505126953125	392.0
314.255126953125	164.0
314.5339050292969	172.0
315.13995361328125	196.0
315.3604431152344	172.0
315.3922424316406	212.0
315.75286865234375	168.0
315.88726806640625	268.0
316.0606384277344	656.0
316.1465148925781	43624.0
316.6000671386719	112.0
316.6447448730469	140.0
316.872314453125	188.0
317.0941467285156	212.0
317.1485290527344	7756.0
317.2913818359375	132.0
317.34991455078125	148.0
317.4846496582031	152.0
317.5888671875	104.0
317.8157043457031	196.0
318.14996337890625	668.0
318.38421630859375	176.0
318.7483825683594	156.0
318.96875	188.0
319.1523132324219	144.0
319.1998291015625	152.0
319.64447021484375	140.0
320.0289001464844	140.0
321.5760192871094	144.0
322.58685302734375	144.0
323.6780700683594	168.0
324.1332702636719	152.0
324.55950927734375	164.0
324.61834716796875	128.0
325.2124328613281	160.0
327.6756896972656	156.0
328.1261901855469	140.0
328.7032775878906	164.0
328.9450988769531	148.0
329.4325866699219	144.0
330.01251220703125	172.0
331.0016784667969	104.0
331.23980712890625	108.0
331.3993225097656	128.0
331.8123779296875	188.0
332.1199035644531	120.0
332.4084167480469	100.0
332.46923828125	176.0
332.5699768066406	160.0
332.7680358886719	188.0
332.82061767578125	148.0
332.9314270019531	228.0
332.97259521484375	108.0
333.0476379394531	120.0
333.15087890625	336.0
333.24530029296875	136.0
333.2837829589844	180.0
333.326904296875	152.0
333.39642333984375	164.0
333.4459533691406	196.0
333.5189208984375	128.0
333.5581970214844	164.0
333.6107177734375	108.0
333.65240478515625	160.0
333.7003479003906	164.0
333.75677490234375	284.0
333.7862243652344	156.0
333.8332824707031	228.0
333.8860778808594	364.0
333.9322814941406	144.0
333.98681640625	272.0
334.0539245605469	448.0
334.0897521972656	368.0
334.15875244140625	206432.0
334.2562561035156	156.0
334.29437255859375	204.0
334.3818664550781	112.0
334.4399108886719	272.0
334.4985046386719	240.0
334.5417785644531	232.0
334.71307373046875	236.0
334.7570495605469	5128.0
334.8516540527344	240.0
334.8883056640625	112.0
334.9165954589844	192.0
335.01385498046875	244.0
335.0790100097656	168.0
335.1604919433594	62600.0
335.3246154785156	236.0
335.3680419921875	224.0
335.4158630371094	164.0
335.5131530761719	212.0
335.6390380859375	120.0
335.7637634277344	140.0
335.8707275390625	104.0
335.9474182128906	192.0
336.04046630859375	156.0
336.1007080078125	260.0
336.1619873046875	6340.0
336.4693298339844	172.0
336.69891357421875	192.0
336.7369079589844	136.0
336.8204040527344	196.0
336.8887939453125	104.0
336.9602355957031	160.0
337.035888671875	276.0
337.08441162109375	216.0
337.12213134765625	260.0
337.16351318359375	720.0
337.23272705078125	216.0
337.27081298828125	292.0
337.31024169921875	264.0
337.3685302734375	160.0
337.41204833984375	196.0
337.445556640625	284.0
337.4979553222656	160.0
337.5555419921875	112.0
337.5827331542969	188.0
337.7178649902344	156.0
337.9136047363281	124.0
337.9715881347656	200.0
338.1363220214844	100.0
338.20709228515625	216.0
338.26104736328125	112.0
338.3926696777344	112.0
338.45306396484375	136.0
339.6311340332031	132.0
345.58038330078125	112.0
347.0219421386719	168.0
350.2669372558594	144.0
352.04595947265625	192.0
352.1704406738281	144.0
364.1238708496094	144.0
375.1689453125	120.0
437.3949279785156	144.0
456.7774353027344	152.0
478.75506591796875	148.0
518.6094970703125	124.0
571.0252075195312	140.0
726.1514892578125	116.0
1017.1638793945312	140.0
1041.7105712890625	156.0
1169.7999267578125	152.0
1207.54638671875	144.0
1593.4666748046875	164.0
1614.502197265625	228.0
1631.3319091796875	200.0
1711.3671875	192.0
1716.952392578125	116.0
1855.2027587890625	160.0
1894.0059814453125	160.0
1918.5023193359375	148.0
1951.9744873046875	164.0
1967.8433837890625	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078932
PEPMASS=167.583069
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_C2_D11_BC1_01_15714.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=PEFLOXACIN MESYLATE [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCN(C)CC3
INCHI=InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)
INCHIAUX=FHFYDNQZQSQIAI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078932
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078932
SCANS=1031
46.96324157714844	148.0
52.771087646484375	172.0
55.50053787231445	160.0
59.829917907714844	244.0
62.659881591796875	192.0
78.0241928100586	144.0
100.62678527832031	144.0
102.03800964355469	180.0
102.992431640625	156.0
103.5668716430664	180.0
108.01499938964844	196.0
109.54071044921875	156.0
110.26891326904297	216.0
114.14801788330078	244.0
116.03123474121094	176.0
119.91580963134766	244.0
122.03703308105469	148.0
123.56768798828125	208.0
125.03694915771484	400.0
128.05242919921875	192.0
129.5703887939453	196.0
130.56686401367188	184.0
130.99021911621094	180.0
132.02413940429688	204.0
134.04330444335938	140.0
136.0577392578125	364.0
137.02398681640625	248.0
137.0892333984375	148.0
138.0411834716797	156.0
138.06053161621094	144.0
144.05467224121094	188.0
144.5604248046875	840.0
145.568359375	180.0
146.0440673828125	136.0
148.0566864013672	760.0
149.04922485351562	164.0
150.97010803222656	232.0
152.03330993652344	216.0
153.04721069335938	180.0
153.56639099121094	1332.0
153.88682556152344	156.0
154.06942749023438	556.0
155.04200744628906	188.0
155.06333923339844	276.0
156.0771484375	184.0
156.8439178466797	184.0
157.0384063720703	152.0
158.51881408691406	144.0
158.57699584960938	14752.0
158.66127014160156	196.0
158.89402770996094	188.0
159.07872009277344	2852.0
159.2400665283203	132.0
159.41273498535156	172.0
159.5780487060547	412.0
159.90464782714844	164.0
160.03929138183594	124.0
160.66561889648438	144.0
161.05661010742188	176.0
162.0618896484375	196.0
163.06690979003906	524.0
164.06866455078125	156.0
165.08663940429688	188.0
166.11483764648438	140.0
166.5794677734375	212.0
166.997314453125	136.0
167.08074951171875	248.0
167.58245849609375	29196.0
167.63584899902344	108.0
167.98678588867188	144.0
168.08319091796875	5860.0
168.5867156982422	632.0
169.0675506591797	148.0
169.12449645996094	184.0
169.76666259765625	180.0
169.8162841796875	172.0
170.36012268066406	156.0
170.3977508544922	152.0
172.06195068359375	172.0
173.05284118652344	144.0
174.0555419921875	336.0
174.58262634277344	184.0
175.06396484375	652.0
176.03982543945312	136.0
176.07496643066406	132.0
176.5816650390625	192.0
177.02098083496094	156.0
177.04481506347656	192.0
177.08883666992188	116.0
184.0754852294922	204.0
186.03570556640625	164.0
187.06597900390625	316.0
188.06634521484375	212.0
188.09327697753906	204.0
189.0775909423828	160.0
190.02020263671875	180.0
190.0923614501953	176.0
193.08053588867188	180.0
193.1137237548828	156.0
196.07333374023438	192.0
197.0695343017578	180.0
202.04513549804688	128.0
203.05917358398438	320.0
204.02830505371094	276.0
204.07473754882812	152.0
204.12493896484375	196.0
206.03695678710938	148.0
211.04702758789062	204.0
215.02833557128906	292.0
215.0939483642578	156.0
217.0476837158203	188.0
217.08029174804688	120.0
221.0099639892578	168.0
221.04251098632812	212.0
222.05128479003906	184.0
225.07321166992188	208.0
231.0575714111328	1572.0
231.0956268310547	412.0
232.0611114501953	312.0
233.06585693359375	352.0
235.11087036132812	180.0
242.04916381835938	180.0
243.0559844970703	288.0
245.06646728515625	176.0
246.0694580078125	148.0
249.06884765625	848.0
250.07566833496094	140.0
259.0871276855469	420.0
260.0888671875	164.0
271.0752258300781	160.0
273.12200927734375	188.0
277.1040954589844	192.0
286.0965881347656	124.0
287.0890808105469	132.0
288.1146240234375	1884.0
289.11663818359375	328.0
289.468017578125	160.0
290.1261291503906	140.0
290.7618103027344	152.0
1656.614501953125	236.0
1668.1051025390625	316.0
1771.2042236328125	180.0
1780.6820068359375	140.0
1833.54345703125	192.0
1950.6029052734375	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078933
PEPMASS=470.240021
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Nefazodone [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCc1nn(CCCN2CCN(CC2)c3cccc(Cl)c3)c(=O)n1CCOc4ccccc4
INCHI=InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
INCHIAUX=VRBKIVRKKCLPHA-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078933
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078933
SCANS=1266
45.40911102294922	144.0
45.44935607910156	172.0
45.81853103637695	132.0
45.99980545043945	140.0
46.42058181762695	192.0
46.621803283691406	140.0
46.93458557128906	196.0
47.532344818115234	156.0
47.75077438354492	160.0
48.013824462890625	144.0
48.04279327392578	184.0
48.17255783081055	180.0
48.196044921875	172.0
48.61561965942383	164.0
48.651710510253906	148.0
50.23026657104492	156.0
50.44066619873047	184.0
50.61967086791992	184.0
50.8897590637207	140.0
50.92525863647461	148.0
51.18693542480469	168.0
51.25815963745117	160.0
51.41502380371094	188.0
51.68796920776367	152.0
51.75811004638672	144.0
51.94298553466797	188.0
51.967376708984375	160.0
52.08222198486328	152.0
52.233150482177734	184.0
52.66701889038086	180.0
52.94476318359375	112.0
53.10413360595703	140.0
53.82304382324219	140.0
53.903385162353516	188.0
54.103763580322266	168.0
55.241336822509766	152.0
55.454559326171875	140.0
55.503482818603516	144.0
56.37501907348633	176.0
57.85133743286133	144.0
57.88161849975586	152.0
58.668643951416016	184.0
58.812034606933594	188.0
59.230995178222656	164.0
59.648372650146484	204.0
59.712947845458984	196.0
59.76371383666992	176.0
59.776023864746094	156.0
59.854530334472656	156.0
59.893028259277344	180.0
60.23546600341797	172.0
60.72613525390625	148.0
60.78508758544922	172.0
60.82233428955078	144.0
61.03517150878906	152.0
61.277984619140625	200.0
61.429203033447266	196.0
61.94036102294922	176.0
62.161766052246094	128.0
63.57379913330078	172.0
64.09219360351562	160.0
65.23492431640625	200.0
66.08969116210938	156.0
66.4818344116211	208.0
66.66534423828125	176.0
66.69947052001953	220.0
67.62757873535156	172.0
67.67341613769531	188.0
68.69374084472656	128.0
68.90525817871094	128.0
69.28416442871094	220.0
70.14664459228516	240.0
70.31844329833984	144.0
70.35517120361328	196.0
70.57737731933594	184.0
70.75975036621094	156.0
70.83343505859375	176.0
70.9842758178711	144.0
71.17221069335938	160.0
71.30659484863281	152.0
71.82687377929688	176.0
72.18660736083984	180.0
72.22381591796875	180.0
72.30333709716797	160.0
72.60319519042969	208.0
73.36494445800781	164.0
73.42362213134766	136.0
74.05870819091797	172.0
74.19922637939453	140.0
74.32149505615234	124.0
75.29360961914062	152.0
75.31778717041016	176.0
75.48452758789062	100.0
75.71385955810547	204.0
75.75067901611328	140.0
76.4049301147461	180.0
76.49518585205078	164.0
76.5509033203125	140.0
77.3312759399414	144.0
77.59929656982422	148.0
77.64313507080078	172.0
77.70803833007812	204.0
78.1332015991211	140.0
78.3656005859375	152.0
78.63716888427734	192.0
80.52450561523438	144.0
81.0844955444336	140.0
81.22254943847656	140.0
81.50440979003906	160.0
81.98307037353516	152.0
82.35472869873047	180.0
82.45771026611328	216.0
83.24576568603516	164.0
84.09961700439453	176.0
84.22560119628906	148.0
84.84412384033203	188.0
86.18030548095703	144.0
86.76329803466797	144.0
86.96363830566406	148.0
87.14933776855469	204.0
89.11117553710938	156.0
89.3555908203125	184.0
89.5664291381836	160.0
90.08037567138672	168.0
90.15130615234375	256.0
90.17398071289062	144.0
90.27039337158203	152.0
90.35173034667969	156.0
90.84996795654297	176.0
91.05496215820312	140.0
91.27350616455078	264.0
91.6160888671875	156.0
91.73259735107422	116.0
91.7647476196289	156.0
92.12734985351562	144.0
92.22863006591797	188.0
92.45430755615234	140.0
92.6151351928711	196.0
93.07099151611328	176.0
93.09844207763672	196.0
93.12725067138672	172.0
93.19833374023438	164.0
93.91446685791016	160.0
94.07462310791016	164.0
94.43402862548828	192.0
94.52688598632812	196.0
94.71855926513672	140.0
94.85807800292969	140.0
95.3277587890625	168.0
95.46967315673828	332.0
96.39759063720703	204.0
96.4327621459961	360.0
96.96903228759766	212.0
97.03656005859375	208.0
97.05899047851562	180.0
97.08993530273438	192.0
98.03224182128906	152.0
98.09728240966797	156.0
98.14065551757812	164.0
98.81948852539062	148.0
98.8636245727539	184.0
98.90320587158203	244.0
99.08935546875	244.0
99.32196807861328	140.0
99.90928649902344	184.0
99.99484252929688	148.0
100.2198715209961	152.0
100.2557373046875	164.0
100.64472198486328	172.0
101.10248565673828	148.0
101.13249969482422	144.0
102.4276123046875	160.0
102.72594451904297	192.0
103.05201721191406	288.0
103.25312042236328	156.0
103.30845642089844	112.0
103.57088470458984	160.0
103.64989471435547	176.0
103.97128295898438	160.0
104.10630798339844	176.0
104.66754913330078	256.0
105.07315063476562	244.0
105.12824249267578	204.0
105.35897064208984	156.0
105.39574432373047	160.0
105.86748504638672	188.0
106.06495666503906	140.0
106.25772094726562	244.0
106.49173736572266	176.0
106.88914489746094	204.0
107.08407592773438	140.0
107.39529418945312	148.0
107.47575378417969	176.0
107.58100891113281	152.0
107.80821228027344	172.0
108.46636962890625	152.0
108.98104095458984	188.0
109.17852020263672	156.0
109.4105224609375	152.0
110.0704116821289	176.0
110.2584228515625	168.0
110.70909881591797	216.0
110.99948120117188	180.0
111.09221649169922	332.0
111.12953186035156	208.0
111.18199157714844	144.0
111.33524322509766	164.0
111.43396759033203	144.0
111.89877319335938	176.0
111.9282455444336	144.0
112.05040740966797	180.0
112.1768569946289	148.0
112.59040069580078	204.0
112.64320373535156	144.0
113.982177734375	180.0
114.0650634765625	148.0
114.2032699584961	140.0
114.22029113769531	192.0
115.121826171875	188.0
115.2799072265625	160.0
115.84903717041016	216.0
116.41526794433594	188.0
116.6129150390625	152.0
117.1508560180664	184.0
117.36421966552734	160.0
118.13523864746094	168.0
118.15038299560547	144.0
118.22611236572266	156.0
118.73088073730469	148.0
119.25642395019531	128.0
119.66525268554688	164.0
119.73710632324219	152.0
120.49620819091797	148.0
120.68635559082031	148.0
120.73664855957031	152.0
121.06500244140625	1816.0
122.06745147705078	424.0
122.2613525390625	168.0
122.8077392578125	156.0
122.89818572998047	172.0
123.96841430664062	176.0
124.05485534667969	204.0
124.49639129638672	192.0
125.05571746826172	276.0
125.38849639892578	164.0
125.73863983154297	144.0
125.89320373535156	120.0
125.99095916748047	148.0
126.02670288085938	164.0
126.06642150878906	3132.0
126.09838104248047	108.0
126.11386108398438	300.0
126.34417724609375	184.0
126.37326049804688	172.0
126.83683013916016	164.0
127.06941986083984	196.0
127.11044311523438	108.0
127.52140808105469	168.0
127.57760620117188	172.0
127.87902069091797	264.0
128.09292602539062	188.0
128.16604614257812	212.0
128.7266845703125	260.0
129.04075622558594	168.0
129.12216186523438	152.0
129.29409790039062	200.0
129.3597412109375	200.0
129.5341033935547	180.0
129.70858764648438	168.0
129.90586853027344	172.0
130.23727416992188	188.0
130.35313415527344	212.0
130.52200317382812	128.0
130.7579345703125	152.0
131.060791015625	180.0
131.9014434814453	204.0
131.92349243164062	200.0
132.47958374023438	172.0
132.6308135986328	176.0
133.06243896484375	1080.0
133.09915161132812	140.0
133.21682739257812	220.0
133.56765747070312	144.0
133.62286376953125	240.0
133.85763549804688	152.0
134.069091796875	196.0
134.44776916503906	164.0
134.93052673339844	160.0
135.08193969726562	144.0
135.24417114257812	164.0
136.09825134277344	284.0
136.68167114257812	164.0
136.78968811035156	116.0
137.1044921875	176.0
137.27505493164062	152.0
137.78916931152344	160.0
138.0094757080078	420.0
138.06602478027344	548.0
138.10292053222656	1264.0
139.06773376464844	160.0
139.0878143310547	192.0
139.1545867919922	196.0
139.19056701660156	136.0
139.25086975097656	180.0
139.75079345703125	108.0
139.91867065429688	168.0
139.95399475097656	200.0
140.0826416015625	17580.0
141.00906372070312	116.0
141.0858154296875	1456.0
142.0686798095703	148.0
142.19134521484375	96.0
142.2116241455078	144.0
142.6201629638672	148.0
142.8841094970703	140.0
143.06973266601562	172.0
144.52560424804688	224.0
145.08355712890625	116.0
145.5450439453125	180.0
145.56590270996094	160.0
145.83526611328125	196.0
146.5794677734375	112.0
146.75938415527344	172.0
147.13816833496094	148.0
147.4691162109375	144.0
147.9165802001953	228.0
148.08607482910156	144.0
148.66549682617188	160.0
149.0721893310547	252.0
149.36521911621094	148.0
149.52023315429688	128.0
149.8095703125	148.0
150.0543975830078	152.0
150.28366088867188	180.0
150.3105010986328	192.0
150.73292541503906	152.0
150.93580627441406	196.0
151.07791137695312	196.0
151.18777465820312	200.0
151.3762664794922	140.0
151.9424591064453	140.0
151.9669952392578	172.0
152.08111572265625	1044.0
152.11703491210938	148.0
152.4630126953125	176.0
152.76544189453125	160.0
152.94752502441406	164.0
153.0300750732422	232.0
153.09014892578125	5860.0
153.15631103515625	136.0
153.5733642578125	176.0
154.04104614257812	380.0
154.0978546142578	25168.0
154.156005859375	164.0
154.28591918945312	100.0
154.4262237548828	120.0
154.6077117919922	132.0
154.66795349121094	168.0
154.77809143066406	124.0
154.81224060058594	172.0
154.88526916503906	152.0
155.04605102539062	200.0
155.10049438476562	2668.0
155.36676025390625	268.0
155.51812744140625	160.0
156.0447998046875	132.0
156.0988311767578	140.0
156.1939697265625	148.0
156.4837646484375	124.0
157.11068725585938	140.0
157.87974548339844	200.0
158.20626831054688	120.0
158.5868682861328	152.0
158.97222900390625	228.0
159.21824645996094	212.0
159.85678100585938	196.0
160.13873291015625	172.0
160.6327667236328	200.0
160.65798950195312	144.0
160.7715301513672	148.0
160.9805908203125	176.0
161.09262084960938	120.0
161.34490966796875	176.0
161.4156951904297	172.0
161.70156860351562	164.0
162.09019470214844	156.0
162.42367553710938	220.0
162.45164489746094	136.0
162.49339294433594	124.0
162.6941375732422	116.0
163.36521911621094	128.0
163.61802673339844	148.0
163.8854522705078	212.0
164.11740112304688	156.0
164.28604125976562	96.0
164.54603576660156	176.0
165.44081115722656	164.0
166.0404815673828	856.0
166.10118103027344	164.0
166.13722229003906	96.0
167.02923583984375	212.0
167.29428100585938	156.0
167.68527221679688	172.0
167.75555419921875	140.0
168.04095458984375	292.0
168.1128692626953	756.0
168.15003967285156	160.0
168.3281707763672	192.0
169.09837341308594	120.0
169.73130798339844	156.0
169.76695251464844	192.0
170.01858520507812	140.0
170.0605010986328	212.0
170.1469268798828	124.0
170.17181396484375	140.0
170.55880737304688	168.0
171.0660400390625	252.0
171.75135803222656	160.0
171.9209442138672	144.0
171.94703674316406	140.0
172.10888671875	156.0
172.33872985839844	144.0
172.8459930419922	200.0
172.8643035888672	160.0
172.97695922851562	188.0
173.3566131591797	156.0
174.2073211669922	172.0
174.71932983398438	148.0
174.8235321044922	120.0
174.92459106445312	172.0
175.16159057617188	156.0
175.3091278076172	172.0
175.3565673828125	180.0
175.62548828125	224.0
175.66769409179688	160.0
175.9474334716797	144.0
176.25909423828125	144.0
176.65786743164062	176.0
177.1639404296875	148.0
177.74456787109375	152.0
178.10423278808594	124.0
178.33944702148438	140.0
179.03762817382812	120.0
179.1352081298828	132.0
179.24032592773438	188.0
179.3979949951172	248.0
179.4468536376953	140.0
179.57894897460938	104.0
179.62818908691406	160.0
179.81764221191406	256.0
179.9352264404297	160.0
180.04925537109375	132.0
180.1138458251953	35884.0
180.39572143554688	196.0
180.45994567871094	116.0
180.49478149414062	100.0
181.02932739257812	132.0
181.11978149414062	17064.0
181.26345825195312	112.0
181.42254638671875	140.0
181.52145385742188	112.0
181.71185302734375	164.0
182.0713348388672	180.0
182.12391662597656	1472.0
182.4027862548828	148.0
182.5690460205078	116.0
182.62820434570312	144.0
182.76809692382812	156.0
182.8353729248047	156.0
183.06199645996094	172.0
183.1263427734375	264.0
183.17730712890625	164.0
183.376708984375	172.0
183.6343536376953	128.0
183.66250610351562	156.0
183.68408203125	152.0
183.7299346923828	140.0
183.94668579101562	176.0
184.1456298828125	140.0
184.52244567871094	180.0
184.79981994628906	164.0
185.60177612304688	184.0
185.78375244140625	220.0
186.80467224121094	316.0
187.93528747558594	164.0
188.18093872070312	160.0
188.51963806152344	168.0
188.94070434570312	188.0
189.01731872558594	168.0
189.08360290527344	144.0
189.42251586914062	180.0
189.5896453857422	196.0
190.12081909179688	292.0
190.3797149658203	208.0
190.49781799316406	176.0
190.5912322998047	196.0
190.72039794921875	140.0
191.0421142578125	148.0
191.6891326904297	152.0
192.2599639892578	148.0
192.95846557617188	132.0
192.98410034179688	160.0
193.05274963378906	112.0
193.2364959716797	232.0
193.36265563964844	144.0
193.39309692382812	152.0
193.921875	136.0
194.02467346191406	148.0
194.0601348876953	612.0
194.15777587890625	152.0
194.5101318359375	156.0
194.7222137451172	116.0
194.8544921875	180.0
194.9239501953125	176.0
194.9517364501953	208.0
195.03233337402344	152.0
195.0625457763672	256.0
195.51905822753906	160.0
196.05714416503906	188.0
196.1540985107422	168.0
196.30908203125	180.0
196.60313415527344	144.0
197.08633422851562	952.0
197.41326904296875	180.0
197.74337768554688	152.0
198.07293701171875	120.0
198.0954132080078	208.0
198.3960418701172	140.0
198.4521026611328	204.0
198.71192932128906	144.0
199.07765197753906	304.0
199.1381072998047	148.0
199.56114196777344	144.0
200.08436584472656	132.0
200.1125946044922	168.0
201.2799072265625	152.0
201.3759307861328	172.0
201.89028930664062	176.0
201.9468536376953	168.0
202.0891571044922	144.0
202.1511993408203	156.0
202.2750701904297	176.0
202.54974365234375	212.0
202.8671112060547	140.0
203.01792907714844	164.0
203.0731658935547	108.0
203.10813903808594	152.0
203.1535186767578	180.0
203.3351287841797	148.0
204.2812957763672	148.0
204.85528564453125	164.0
204.95318603515625	192.0
206.07095336914062	164.0
206.10592651367188	172.0
206.44357299804688	136.0
206.5204620361328	160.0
206.96688842773438	144.0
207.17022705078125	204.0
207.65142822265625	160.0
207.95303344726562	152.0
208.18557739257812	152.0
208.54469299316406	148.0
209.0824737548828	3032.0
209.78819274902344	172.0
210.08526611328125	364.0
210.13714599609375	148.0
210.4661865234375	196.0
210.5804443359375	148.0
211.079345703125	644.0
211.15457153320312	1060.0
211.59033203125	124.0
211.77621459960938	192.0
211.8502197265625	168.0
212.09573364257812	116.0
212.1571807861328	144.0
212.7853546142578	176.0
212.88851928710938	188.0
213.10902404785156	288.0
213.34024047851562	156.0
213.55551147460938	112.0
213.83180236816406	156.0
214.1200408935547	140.0
214.5294647216797	272.0
215.5501251220703	176.0
215.9207305908203	172.0
216.2366943359375	220.0
216.3245086669922	148.0
216.37091064453125	136.0
216.89332580566406	128.0
216.95140075683594	244.0
217.04522705078125	188.0
217.08627319335938	160.0
217.1270294189453	116.0
217.27536010742188	224.0
217.32843017578125	128.0
217.45082092285156	200.0
217.8950958251953	168.0
218.09429931640625	376.0
218.1256103515625	208.0
218.5814666748047	160.0
218.82870483398438	172.0
219.01870727539062	232.0
219.20867919921875	160.0
219.23452758789062	140.0
219.8917236328125	188.0
219.92335510253906	192.0
220.07882690429688	192.0
220.42442321777344	204.0
221.095703125	144.0
221.13438415527344	164.0
221.3680419921875	148.0
221.63168334960938	164.0
222.13864135742188	168.0
223.54396057128906	156.0
224.39285278320312	184.0
224.7865753173828	152.0
225.02871704101562	136.0
225.23141479492188	184.0
225.2781524658203	148.0
225.4076690673828	140.0
225.966796875	176.0
226.03860473632812	176.0
226.06553649902344	152.0
226.9418182373047	184.0
228.57418823242188	160.0
228.93540954589844	148.0
229.61952209472656	148.0
230.72769165039062	164.0
230.99078369140625	236.0
231.13600158691406	164.0
231.39215087890625	140.0
231.65977478027344	176.0
231.6809844970703	188.0
232.11509704589844	172.0
232.18414306640625	156.0
234.13084411621094	364.0
234.2509765625	140.0
234.3880615234375	188.0
234.573974609375	144.0
235.0375518798828	168.0
235.09762573242188	724.0
235.2267608642578	144.0
235.5198974609375	196.0
235.55349731445312	148.0
236.06564331054688	148.0
236.09828186035156	248.0
236.95053100585938	220.0
237.02813720703125	200.0
237.06045532226562	120.0
237.1154022216797	3360.0
237.6605224609375	148.0
237.72280883789062	108.0
238.04347229003906	180.0
238.1170654296875	588.0
238.32913208007812	140.0
238.5073699951172	164.0
238.58729553222656	148.0
238.76255798339844	160.0
238.8363800048828	144.0
239.11192321777344	1140.0
239.51046752929688	148.0
239.68914794921875	148.0
239.81063842773438	136.0
239.84324645996094	140.0
240.11253356933594	356.0
240.50987243652344	164.0
240.87075805664062	164.0
241.05563354492188	148.0
241.19427490234375	172.0
241.33334350585938	96.0
241.41348266601562	180.0
241.67788696289062	152.0
241.7426300048828	188.0
241.85093688964844	144.0
242.256591796875	184.0
242.54786682128906	196.0
243.0440673828125	260.0
243.70852661132812	140.0
243.80796813964844	148.0
244.1083526611328	260.0
244.22146606445312	144.0
244.3894500732422	168.0
244.85597229003906	116.0
245.13987731933594	152.0
245.23245239257812	192.0
245.39234924316406	180.0
245.4472198486328	120.0
245.47653198242188	140.0
245.50148010253906	188.0
245.5763397216797	188.0
245.66928100585938	100.0
245.803955078125	112.0
245.85394287109375	220.0
245.9617919921875	224.0
246.02818298339844	164.0
246.08299255371094	392.0
246.12481689453125	134648.0
246.1782989501953	260.0
246.3329315185547	112.0
246.35781860351562	136.0
246.50057983398438	148.0
246.56558227539062	192.0
246.61001586914062	244.0
246.638427734375	320.0
246.7059326171875	220.0
246.90585327148438	144.0
247.00408935546875	272.0
247.06541442871094	168.0
247.12728881835938	14184.0
247.42271423339844	100.0
247.53799438476562	184.0
247.80792236328125	276.0
247.86471557617188	144.0
248.09262084960938	128.0
248.1292724609375	1672.0
248.35626220703125	96.0
248.6424102783203	184.0
248.72000122070312	128.0
248.82012939453125	188.0
248.86904907226562	96.0
248.92332458496094	124.0
248.9689178466797	112.0
249.00021362304688	188.0
249.03675842285156	120.0
249.0684814453125	120.0
249.129638671875	116.0
249.91822814941406	140.0
250.27703857421875	196.0
250.84124755859375	140.0
251.36135864257812	192.0
251.5018310546875	96.0
251.63279724121094	216.0
252.14768981933594	196.0
252.93524169921875	156.0
253.28988647460938	176.0
253.47854614257812	164.0
253.53067016601562	224.0
253.84768676757812	148.0
253.91632080078125	112.0
254.56483459472656	164.0
254.74755859375	136.0
254.8030548095703	144.0
255.07318115234375	180.0
255.48558044433594	216.0
255.9481658935547	136.0
256.7574768066406	164.0
256.8413391113281	96.0
257.95587158203125	120.0
258.3681945800781	320.0
259.0716247558594	148.0
259.22540283203125	156.0
259.7480163574219	156.0
259.92767333984375	192.0
260.139404296875	144.0
260.8558349609375	192.0
261.0703125	152.0
261.8790588378906	140.0
262.4189147949219	120.0
262.57843017578125	160.0
262.6101379394531	140.0
262.7429504394531	144.0
263.0153503417969	284.0
264.13995361328125	192.0
264.3636474609375	120.0
265.1274719238281	148.0
265.2102355957031	140.0
265.40960693359375	104.0
266.1705017089844	204.0
266.2257080078125	196.0
266.61553955078125	152.0
266.66754150390625	156.0
267.2236022949219	148.0
267.2528991699219	192.0
267.8291015625	208.0
267.90728759765625	148.0
268.68951416015625	148.0
269.2021484375	168.0
269.9889221191406	188.0
270.99462890625	172.0
271.0929260253906	164.0
271.5387878417969	172.0
271.94293212890625	116.0
271.9718933105469	156.0
272.00897216796875	192.0
272.13568115234375	116.0
272.27972412109375	100.0
272.6057434082031	144.0
272.65631103515625	124.0
272.72265625	104.0
272.8115234375	132.0
272.9706115722656	140.0
273.01666259765625	140.0
273.1781311035156	124.0
273.2337341308594	152.0
273.2934875488281	132.0
273.4007873535156	120.0
273.5356750488281	160.0
273.6028137207031	268.0
273.6561279296875	140.0
273.717041015625	172.0
273.8081359863281	144.0
273.8968200683594	216.0
273.97265625	332.0
274.0157775878906	188.0
274.04248046875	436.0
274.0992736816406	292.0
274.156982421875	228256.0
274.24481201171875	220.0
274.3326416015625	120.0
274.3575439453125	148.0
274.39483642578125	416.0
274.4383850097656	264.0
274.4630126953125	204.0
274.5265197753906	140.0
274.5663757324219	100.0
274.62628173828125	132.0
274.6494445800781	228.0
274.6985168457031	2772.0
274.7389221191406	176.0
274.804931640625	140.0
274.92034912109375	224.0
275.0248107910156	148.0
275.05401611328125	252.0
275.099853515625	400.0
275.1588439941406	58080.0
275.2720947265625	128.0
275.3377990722656	168.0
275.3689880371094	96.0
275.4591979980469	184.0
275.5887756347656	104.0
275.6329650878906	172.0
275.88214111328125	116.0
276.1612548828125	4904.0
276.3139953613281	128.0
276.4247741699219	152.0
276.47198486328125	180.0
276.5573425292969	148.0
276.61480712890625	120.0
276.67974853515625	136.0
276.743408203125	252.0
276.77490234375	148.0
276.8774108886719	120.0
276.9097595214844	248.0
276.9413757324219	260.0
276.9712829589844	428.0
277.01153564453125	312.0
277.0400390625	196.0
277.0884704589844	344.0
277.158203125	608.0
277.2053527832031	216.0
277.2666015625	352.0
277.3937683105469	192.0
277.6289367675781	144.0
277.6888732910156	208.0
277.8341064453125	136.0
277.8670959472656	104.0
278.0226135253906	136.0
278.0719909667969	156.0
278.1918640136719	180.0
278.2816467285156	140.0
278.64422607421875	132.0
278.83685302734375	116.0
279.0890808105469	212.0
280.3828125	172.0
281.4778747558594	180.0
282.1986999511719	160.0
282.2802429199219	164.0
282.4688720703125	136.0
283.27294921875	156.0
283.34332275390625	212.0
283.73876953125	144.0
283.82928466796875	200.0
283.89971923828125	176.0
284.43988037109375	148.0
284.5943298339844	168.0
284.70281982421875	240.0
285.4015808105469	140.0
286.7001647949219	124.0
286.89501953125	100.0
287.276611328125	156.0
287.420166015625	160.0
287.4765319824219	128.0
287.5802917480469	152.0
287.78125	108.0
287.8358459472656	120.0
288.1171875	152.0
288.3165588378906	204.0
288.6051330566406	96.0
289.2127990722656	180.0
289.26019287109375	360.0
289.61846923828125	104.0
289.95794677734375	152.0
290.14288330078125	120.0
290.2799987792969	100.0
290.527587890625	144.0
290.6734619140625	196.0
291.006103515625	192.0
291.51934814453125	120.0
291.5699768066406	152.0
291.7671203613281	140.0
291.8725280761719	188.0
292.48150634765625	140.0
292.5093688964844	192.0
292.5733947753906	168.0
292.7538757324219	160.0
292.8662414550781	140.0
293.1353759765625	152.0
293.63311767578125	140.0
293.76708984375	156.0
294.1115417480469	352.0
294.43310546875	188.0
295.1151428222656	176.0
295.20745849609375	172.0
297.2765197753906	160.0
297.6492614746094	112.0
298.16253662109375	156.0
298.3446960449219	208.0
299.0050048828125	124.0
299.4903259277344	104.0
299.9764404296875	148.0
300.1660461425781	112.0
301.78350830078125	172.0
302.16937255859375	164.0
304.1419372558594	172.0
304.6759033203125	164.0
305.16424560546875	148.0
305.5296325683594	168.0
306.10888671875	160.0
306.1785583496094	184.0
306.2389831542969	112.0
306.8935546875	104.0
307.2416687011719	144.0
307.48590087890625	140.0
308.0026550292969	328.0
309.1144104003906	156.0
309.6080017089844	312.0
309.7945861816406	224.0
310.2794189453125	96.0
310.7647399902344	240.0
311.1016540527344	148.0
311.73388671875	156.0
311.9869384765625	164.0
312.1873474121094	224.0
313.25732421875	144.0
313.4334716796875	224.0
314.3961486816406	140.0
314.6573486328125	148.0
315.09039306640625	104.0
315.19775390625	232.0
315.75274658203125	156.0
315.9579162597656	168.0
315.98974609375	176.0
316.0817565917969	188.0
317.1966552734375	456.0
317.5261535644531	164.0
317.661865234375	168.0
318.2948913574219	200.0
318.908203125	180.0
319.0503845214844	184.0
319.15704345703125	144.0
319.35418701171875	120.0
319.6763916015625	176.0
319.78314208984375	156.0
319.8792419433594	204.0
320.1334533691406	140.0
320.2873840332031	128.0
321.11968994140625	152.0
321.185791015625	144.0
321.5509033203125	148.0
321.95074462890625	140.0
323.00152587890625	152.0
323.39013671875	144.0
323.43450927734375	260.0
323.5633544921875	164.0
323.9565124511719	144.0
324.0253601074219	152.0
324.993408203125	140.0
325.4923400878906	180.0
325.6287841796875	188.0
325.9071350097656	160.0
327.1221618652344	144.0
327.3852844238281	104.0
327.5090637207031	156.0
327.9530334472656	160.0
328.56243896484375	160.0
328.74285888671875	160.0
330.49176025390625	152.0
330.6509704589844	164.0
331.8785095214844	148.0
332.37591552734375	148.0
332.8663024902344	124.0
332.9875183105469	228.0
334.0980529785156	144.0
334.62213134765625	184.0
334.9316711425781	160.0
335.39959716796875	188.0
335.89031982421875	176.0
336.2296142578125	232.0
336.8895568847656	140.0
336.96722412109375	168.0
337.01922607421875	192.0
337.65948486328125	148.0
337.77880859375	152.0
338.2121887207031	136.0
338.5364074707031	228.0
338.5876770019531	172.0
338.9283447265625	168.0
339.8523254394531	156.0
339.9033203125	152.0
339.951416015625	176.0
340.0284729003906	184.0
340.1631774902344	120.0
340.2413635253906	204.0
340.54461669921875	96.0
341.6856994628906	148.0
342.3417663574219	96.0
343.04827880859375	156.0
343.2252502441406	176.0
343.56085205078125	172.0
344.92718505859375	192.0
345.0158996582031	192.0
345.1046142578125	188.0
346.837158203125	152.0
346.9794616699219	120.0
347.19677734375	168.0
347.8015441894531	172.0
348.1988220214844	160.0
348.43853759765625	128.0
349.17626953125	140.0
349.92047119140625	140.0
349.95770263671875	236.0
351.3973693847656	204.0
351.91680908203125	144.0
351.9971618652344	108.0
352.75946044921875	144.0
352.953857421875	176.0
354.2862548828125	172.0
354.3924560546875	184.0
355.4393005371094	240.0
355.7074890136719	196.0
356.064208984375	248.0
356.357177734375	168.0
356.6690979003906	252.0
356.86834716796875	212.0
357.1351013183594	128.0
357.47418212890625	184.0
357.6432800292969	156.0
357.9632873535156	152.0
358.2943420410156	112.0
358.6188049316406	152.0
358.74603271484375	140.0
359.0773620605469	148.0
360.3924560546875	140.0
361.3513488769531	208.0
363.0686950683594	140.0
363.136962890625	140.0
363.334228515625	140.0
363.4380187988281	124.0
363.5978698730469	140.0
363.766845703125	180.0
363.850341796875	232.0
364.9559631347656	220.0
365.0362243652344	184.0
365.23736572265625	152.0
365.3895263671875	168.0
365.6178283691406	172.0
366.513671875	316.0
366.55462646484375	180.0
366.6449890136719	140.0
367.06488037109375	144.0
367.28826904296875	152.0
367.6910400390625	140.0
368.06134033203125	172.0
369.0203552246094	184.0
370.7439880371094	108.0
371.11468505859375	152.0
371.38311767578125	180.0
371.53271484375	160.0
372.0431213378906	200.0
372.38104248046875	160.0
372.5170593261719	148.0
373.8265380859375	156.0
374.1305847167969	144.0
375.0756530761719	120.0
376.19482421875	140.0
376.266357421875	236.0
376.4903259277344	152.0
377.0182800292969	128.0
377.1900329589844	160.0
377.5762634277344	172.0
377.83929443359375	176.0
378.1199951171875	104.0
378.5514831542969	164.0
379.1829528808594	156.0
379.4039001464844	156.0
379.5240783691406	144.0
380.5544128417969	152.0
380.8512878417969	144.0
381.4846496582031	152.0
382.554443359375	188.0
382.6378479003906	124.0
382.83477783203125	184.0
383.0025634765625	100.0
383.0489807128906	152.0
383.5984191894531	168.0
384.0787048339844	164.0
385.646240234375	144.0
385.7608337402344	172.0
386.03582763671875	288.0
386.1363830566406	180.0
386.8680725097656	192.0
386.9580993652344	164.0
387.8003234863281	160.0
388.3152770996094	100.0
388.4026794433594	160.0
389.0045166015625	168.0
389.271484375	152.0
389.39715576171875	176.0
389.8607482910156	192.0
390.5167541503906	144.0
391.3988037109375	152.0
391.7256774902344	156.0
391.8320617675781	156.0
392.2379455566406	140.0
392.9596252441406	176.0
393.24560546875	272.0
393.94580078125	140.0
394.051513671875	140.0
394.1164855957031	140.0
394.737060546875	144.0
394.9302673339844	144.0
395.2671203613281	148.0
395.44329833984375	132.0
396.02325439453125	140.0
396.3678894042969	140.0
396.4352722167969	144.0
396.51849365234375	176.0
396.76092529296875	124.0
396.8356018066406	140.0
397.1712646484375	144.0
397.3829345703125	148.0
397.7956848144531	148.0
398.037841796875	224.0
398.362548828125	148.0
399.00732421875	240.0
399.4502868652344	124.0
399.5083923339844	180.0
399.57391357421875	144.0
400.4796447753906	228.0
400.6415100097656	108.0
402.1741943359375	160.0
402.30194091796875	180.0
402.5572509765625	156.0
402.8912353515625	120.0
402.9996643066406	176.0
403.3924865722656	196.0
403.5523986816406	264.0
404.244384765625	160.0
405.2574462890625	144.0
405.6902770996094	156.0
406.0310974121094	152.0
406.09283447265625	152.0
406.46875	120.0
407.07806396484375	112.0
407.13873291015625	160.0
408.4449462890625	144.0
408.8110656738281	144.0
409.1686706542969	124.0
409.459228515625	176.0
409.7170104980469	208.0
409.8099060058594	144.0
410.0033264160156	348.0
410.2872314453125	164.0
410.7005920410156	140.0
411.5803527832031	168.0
411.7406311035156	116.0
412.0771484375	172.0
412.1401062011719	128.0
412.1822204589844	228.0
412.6994323730469	104.0
412.95953369140625	100.0
413.0716552734375	216.0
413.2658386230469	200.0
413.407470703125	236.0
413.7596130371094	164.0
414.47003173828125	196.0
414.896484375	136.0
415.5687255859375	296.0
415.61181640625	164.0
417.35430908203125	176.0
417.91558837890625	148.0
418.1417541503906	104.0
418.31317138671875	208.0
418.5140380859375	128.0
418.8885803222656	244.0
419.7546691894531	104.0
420.09521484375	204.0
420.931884765625	264.0
421.1894226074219	144.0
421.47216796875	180.0
421.7998962402344	156.0
422.195556640625	144.0
422.3846130371094	148.0
422.5343017578125	160.0
422.6444396972656	112.0
422.7616271972656	204.0
422.85736083984375	184.0
422.8873596191406	140.0
423.1620178222656	160.0
423.731201171875	160.0
424.07379150390625	144.0
424.10247802734375	188.0
424.4632263183594	176.0
425.33709716796875	104.0
427.017578125	148.0
427.6017761230469	192.0
427.9434509277344	148.0
428.2852478027344	180.0
428.3140869140625	168.0
429.2083740234375	164.0
429.5795593261719	156.0
429.7983703613281	104.0
430.33892822265625	184.0
430.75604248046875	140.0
431.2063903808594	192.0
431.5985107421875	220.0
431.8173522949219	140.0
432.6996765136719	176.0
433.2142028808594	100.0
433.8140869140625	160.0
434.2177734375	108.0
434.5356750488281	180.0
435.5028991699219	164.0
435.628662109375	144.0
436.6125793457031	160.0
437.2508239746094	136.0
438.1311950683594	128.0
438.25885009765625	152.0
438.3333740234375	108.0
438.46783447265625	152.0
438.5860595703125	172.0
438.68194580078125	140.0
438.8028259277344	164.0
439.42425537109375	148.0
439.9548645019531	124.0
441.17779541015625	100.0
441.32879638671875	188.0
441.57806396484375	132.0
441.730712890625	120.0
441.91436767578125	200.0
442.08172607421875	160.0
442.7728271484375	144.0
442.7856750488281	132.0
442.93487548828125	156.0
444.2017517089844	160.0
444.77923583984375	108.0
444.9739074707031	184.0
446.0283203125	188.0
446.1334228515625	160.0
446.7549133300781	152.0
447.47125244140625	192.0
448.1222839355469	104.0
448.38531494140625	160.0
448.63787841796875	156.0
449.40069580078125	176.0
450.3514099121094	148.0
450.79278564453125	100.0
451.5686340332031	148.0
452.1158142089844	144.0
452.17364501953125	176.0
452.791748046875	212.0
452.8595275878906	172.0
453.4781188964844	176.0
453.7621154785156	140.0
454.2426452636719	156.0
454.30230712890625	172.0
454.4619445800781	192.0
454.575927734375	120.0
454.8438720703125	144.0
455.0437316894531	152.0
455.09259033203125	164.0
455.2663269042969	96.0
455.7016906738281	184.0
457.1445617675781	120.0
457.8224792480469	160.0
458.7744140625	164.0
459.0782775878906	168.0
459.3799743652344	160.0
459.47381591796875	208.0
459.54931640625	144.0
460.988037109375	240.0
461.5002136230469	128.0
462.38433837890625	144.0
462.683349609375	144.0
462.8374938964844	144.0
462.8895263671875	160.0
462.9787902832031	140.0
463.3201904296875	188.0
463.4913024902344	120.0
463.67987060546875	148.0
463.758544921875	140.0
463.9171447753906	144.0
464.0414733886719	168.0
464.50750732421875	148.0
464.63494873046875	232.0
464.6751403808594	112.0
464.8254089355469	248.0
464.95330810546875	148.0
465.0323181152344	176.0
465.19451904296875	124.0
465.23199462890625	128.0
465.330078125	136.0
465.396240234375	96.0
465.4544677734375	104.0
465.4911193847656	140.0
465.5302429199219	276.0
465.5936279296875	124.0
465.74786376953125	232.0
465.86822509765625	116.0
465.9232482910156	120.0
465.9849548339844	132.0
466.1913757324219	172.0
466.4729919433594	140.0
466.5815124511719	144.0
466.7970275878906	148.0
466.8704528808594	220.0
467.0498962402344	112.0
467.13720703125	220.0
467.1884460449219	120.0
467.2826843261719	336.0
467.41375732421875	180.0
467.4507141113281	140.0
467.5762634277344	184.0
467.60986328125	276.0
467.66973876953125	184.0
467.7425231933594	168.0
467.7790832519531	116.0
467.81536865234375	112.0
467.880615234375	152.0
468.0308837890625	408.0
468.0959167480469	292.0
468.2166748046875	652.0
468.2940673828125	148.0
468.33221435546875	312.0
468.3890380859375	144.0
468.42584228515625	264.0
468.4659118652344	372.0
468.5549011230469	216.0
468.59686279296875	368.0
468.6765441894531	296.0
468.7349853515625	360.0
468.8034362792969	368.0
468.8417053222656	528.0
468.8880920410156	152.0
468.94049072265625	204.0
468.98590087890625	248.0
469.033447265625	368.0
469.0655212402344	116.0
469.1005859375	476.0
469.15081787109375	388.0
469.2144775390625	416.0
469.2607421875	264.0
469.3114013671875	260.0
469.3469543457031	428.0
469.3755187988281	544.0
469.4106140136719	196.0
469.4250183105469	376.0
469.4784240722656	356.0
469.55914306640625	292.0
469.58306884765625	160.0
469.6427917480469	492.0
469.7011413574219	500.0
469.7731018066406	448.0
469.8276062011719	568.0
469.86676025390625	396.0
469.9627990722656	532.0
469.9915771484375	492.0
470.0445556640625	372.0
470.1064147949219	792.0
470.1434631347656	1096.0
470.2344665527344	243684.0
470.3810119628906	172.0
470.44854736328125	116.0
470.533203125	476.0
470.56878662109375	364.0
470.6385192871094	1188.0
470.6993103027344	428.0
470.7703857421875	836.0
470.82977294921875	292.0
470.8897705078125	1224.0
470.9552001953125	9476.0
471.0005798339844	624.0
471.0463562011719	428.0
471.0816955566406	380.0
471.1371765136719	472.0
471.17144775390625	388.0
471.2372741699219	191912.0
471.3543395996094	276.0
471.38818359375	348.0
471.45928955078125	176.0
471.5686950683594	308.0
471.6249084472656	704.0
471.66650390625	596.0
471.72900390625	404.0
471.80902099609375	256.0
471.89971923828125	256.0
471.9515686035156	972.0
472.02655029296875	344.0
472.10443115234375	616.0
472.2323913574219	185976.0
472.3575134277344	160.0
472.40008544921875	176.0
472.4900817871094	164.0
472.5444641113281	184.0
472.5853576660156	216.0
472.6562805175781	308.0
472.7027587890625	388.0
472.7347717285156	288.0
472.82696533203125	176.0
472.8859558105469	320.0
472.9452209472656	556.0
473.0088806152344	400.0
473.0447692871094	276.0
473.0859069824219	396.0
473.1704406738281	264.0
473.2339172363281	56920.0
473.36077880859375	160.0
473.38525390625	276.0
473.452392578125	184.0
473.525146484375	200.0
473.602783203125	200.0
473.6830139160156	108.0
473.7234802246094	428.0
473.7528991699219	460.0
473.8189392089844	244.0
473.835693359375	308.0
473.892333984375	308.0
473.943603515625	460.0
473.9596862792969	236.0
473.9706726074219	284.0
474.01806640625	560.0
474.0567626953125	392.0
474.1607971191406	576.0
474.2357482910156	3588.0
474.358154296875	144.0
474.4413146972656	148.0
474.5721435546875	160.0
474.63677978515625	176.0
474.6644287109375	136.0
474.7113342285156	248.0
474.7774353027344	208.0
474.9414978027344	360.0
475.00372314453125	152.0
475.0596923828125	256.0
475.0899353027344	204.0
475.1386413574219	236.0
475.18023681640625	272.0
475.3243103027344	96.0
475.35858154296875	284.0
475.5964660644531	164.0
475.76922607421875	200.0
475.8221130371094	168.0
475.8861083984375	120.0
475.97119140625	108.0
476.0253601074219	256.0
476.0733337402344	268.0
476.1125183105469	264.0
476.15447998046875	120.0
476.18255615234375	480.0
476.4677734375	100.0
476.52142333984375	308.0
476.6317138671875	104.0
476.7914123535156	100.0
476.8613586425781	140.0
477.0208740234375	192.0
477.1231994628906	96.0
477.1929016113281	140.0
477.3172302246094	112.0
477.6506652832031	96.0
477.7176208496094	104.0
477.7992248535156	172.0
477.952392578125	148.0
478.3560485839844	100.0
478.9477233886719	100.0
479.00531005859375	96.0
479.5040588378906	116.0
479.5953369140625	136.0
481.7079162597656	124.0
482.8155517578125	100.0
483.74383544921875	100.0
485.2757873535156	96.0
485.90447998046875	100.0
485.9415588378906	212.0
487.09149169921875	108.0
487.4002990722656	160.0
487.6816711425781	196.0
488.6790466308594	128.0
489.0550231933594	108.0
489.24896240234375	112.0
489.4245910644531	96.0
489.5409240722656	104.0
489.7340393066406	108.0
489.7767333984375	104.0
490.0310363769531	104.0
490.5474853515625	104.0
495.1602783203125	156.0
496.3560791015625	100.0
497.90802001953125	100.0
502.72039794921875	140.0
508.40826416015625	156.0
513.433349609375	148.0
616.3170166015625	160.0
632.950439453125	104.0
659.3439331054688	116.0
680.7567749023438	168.0
682.4038696289062	140.0
717.1126708984375	140.0
721.6608276367188	140.0
726.2716064453125	144.0
733.8676147460938	112.0
741.9680786132812	104.0
755.6210327148438	152.0
764.7997436523438	96.0
772.8773803710938	160.0
779.4022827148438	112.0
793.8035278320312	108.0
797.6090087890625	100.0
803.9138793945312	148.0
874.9200439453125	112.0
888.0221557617188	124.0
892.7171630859375	108.0
894.9759521484375	140.0
918.3383178710938	96.0
929.139404296875	144.0
1000.7770385742188	152.0
1020.8675537109375	140.0
1024.4290771484375	104.0
1027.85546875	140.0
1044.930908203125	196.0
1113.8553466796875	164.0
1202.999267578125	152.0
1269.1895751953125	152.0
1341.5299072265625	208.0
1368.3653564453125	160.0
1377.648193359375	152.0
1398.2486572265625	212.0
1401.897705078125	204.0
1421.955322265625	224.0
1463.89111328125	212.0
1494.3095703125	140.0
1531.4207763671875	200.0
1557.2391357421875	264.0
1570.595947265625	184.0
1575.3321533203125	188.0
1577.2127685546875	144.0
1589.1866455078125	192.0
1614.6136474609375	148.0
1627.7882080078125	164.0
1635.3934326171875	164.0
1690.6236572265625	220.0
1719.462646484375	148.0
1721.51708984375	208.0
1721.8582763671875	176.0
1730.5052490234375	152.0
1752.3653564453125	148.0
1754.3321533203125	212.0
1757.6683349609375	176.0
1764.6593017578125	148.0
1767.6119384765625	240.0
1792.0123291015625	204.0
1806.0157470703125	180.0
1806.3978271484375	144.0
1810.087890625	232.0
1814.5616455078125	280.0
1825.064208984375	192.0
1835.88720703125	160.0
1840.5633544921875	204.0
1841.639404296875	140.0
1857.0113525390625	204.0
1860.3062744140625	164.0
1870.5787353515625	148.0
1872.955322265625	196.0
1875.9971923828125	156.0
1877.480224609375	160.0
1908.28076171875	260.0
1910.1417236328125	184.0
1913.109130859375	156.0
1915.1553955078125	156.0
1916.33154296875	148.0
1916.470947265625	144.0
1933.6827392578125	164.0
1949.204833984375	144.0
1964.92138671875	148.0
1970.4656982421875	164.0
1974.7176513671875	172.0
1980.53271484375	172.0
1993.5211181640625	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078934
PEPMASS=357.13385
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=pioglitazone hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
INCHI=InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
INCHIAUX=HYAFETHFCAUJAY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078934
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078934
SCANS=1101
44.89243698120117	160.0
44.96755599975586	152.0
45.010276794433594	220.0
45.254966735839844	168.0
45.46944808959961	148.0
45.72468185424805	136.0
45.736915588378906	196.0
46.38393783569336	228.0
46.41328811645508	216.0
46.430973052978516	160.0
46.4924430847168	204.0
46.52305603027344	252.0
46.65773391723633	168.0
46.67039489746094	172.0
46.681270599365234	184.0
46.788761138916016	156.0
47.1666374206543	140.0
47.25005340576172	220.0
47.28015899658203	224.0
47.33765411376953	164.0
47.353553771972656	164.0
47.386962890625	176.0
47.43496322631836	168.0
47.573482513427734	196.0
47.59132766723633	164.0
47.74248504638672	196.0
47.826812744140625	136.0
47.90076446533203	168.0
47.97380065917969	212.0
48.08000946044922	180.0
48.46976852416992	236.0
48.819793701171875	172.0
48.93250274658203	172.0
49.00492858886719	180.0
49.167301177978516	180.0
49.42026901245117	220.0
49.446197509765625	152.0
49.49519348144531	164.0
49.616886138916016	180.0
49.6942253112793	144.0
49.72088623046875	180.0
49.80513000488281	180.0
49.837440490722656	140.0
50.07658767700195	148.0
50.386924743652344	144.0
50.44769287109375	200.0
50.560848236083984	152.0
50.79179763793945	208.0
50.82868194580078	300.0
50.96641540527344	156.0
51.14276123046875	156.0
51.199710845947266	144.0
51.46346664428711	116.0
51.66932678222656	192.0
51.91426086425781	176.0
51.9343376159668	244.0
52.202903747558594	140.0
52.37234878540039	136.0
52.40154266357422	168.0
52.48802185058594	200.0
52.52119445800781	168.0
52.75367736816406	180.0
52.91765213012695	164.0
53.244873046875	140.0
53.31024932861328	148.0
53.38147735595703	164.0
53.46003341674805	160.0
53.688575744628906	200.0
53.764610290527344	164.0
53.81182098388672	176.0
54.10004806518555	120.0
54.511470794677734	212.0
54.7866096496582	156.0
55.038814544677734	156.0
55.06096649169922	276.0
55.17198944091797	148.0
55.19248580932617	264.0
55.23981475830078	156.0
55.641422271728516	164.0
55.70973587036133	224.0
55.777408599853516	136.0
56.01915740966797	216.0
56.0340576171875	144.0
56.19507598876953	172.0
56.529781341552734	152.0
56.559715270996094	152.0
56.574684143066406	184.0
56.7559700012207	164.0
57.12091827392578	140.0
57.55218505859375	196.0
57.719661712646484	156.0
57.73788833618164	204.0
57.777137756347656	208.0
57.874000549316406	152.0
58.151187896728516	160.0
58.519290924072266	152.0
58.79482650756836	132.0
58.8638916015625	176.0
58.92939758300781	140.0
59.11000061035156	180.0
59.12071228027344	176.0
59.20917892456055	168.0
59.5853157043457	144.0
59.943824768066406	164.0
60.03477478027344	140.0
60.10881805419922	144.0
60.212249755859375	176.0
60.28494644165039	144.0
60.49675750732422	160.0
60.51068878173828	160.0
60.52462387084961	160.0
60.654762268066406	144.0
60.722984313964844	148.0
60.830657958984375	132.0
60.89495086669922	140.0
60.999366760253906	204.0
61.066226959228516	168.0
61.13312530517578	208.0
61.214073181152344	216.0
61.34773635864258	152.0
61.45255661010742	168.0
61.533714294433594	148.0
61.65555191040039	144.0
61.69041442871094	132.0
61.76820755004883	156.0
61.80880355834961	184.0
61.983821868896484	140.0
62.03903579711914	184.0
62.061805725097656	176.0
62.082759857177734	156.0
62.205318450927734	160.0
62.485050201416016	220.0
62.525962829589844	176.0
62.57485580444336	132.0
62.65980911254883	140.0
62.77802658081055	220.0
62.79064178466797	188.0
62.937400817871094	160.0
63.09539794921875	156.0
63.283668518066406	188.0
63.61635971069336	132.0
63.96950912475586	164.0
64.51155853271484	116.0
64.53055572509766	112.0
64.60303497314453	204.0
65.05013275146484	204.0
65.45850372314453	160.0
65.4729995727539	140.0
65.59706115722656	168.0
65.7777328491211	192.0
66.11957550048828	168.0
66.26288604736328	144.0
66.38712310791016	160.0
66.41423797607422	120.0
66.46717834472656	192.0
66.49152374267578	156.0
66.54022216796875	224.0
66.69129180908203	216.0
66.8114242553711	164.0
66.87996673583984	176.0
66.99395751953125	180.0
67.0477294921875	164.0
67.07380676269531	152.0
67.84866333007812	288.0
68.18951416015625	204.0
68.39141845703125	148.0
68.43354797363281	196.0
68.50707244873047	224.0
68.58658599853516	112.0
68.64940643310547	176.0
68.79281616210938	148.0
68.98110961914062	160.0
69.09993743896484	132.0
69.14005279541016	176.0
69.17166900634766	200.0
69.26920318603516	188.0
69.31890106201172	228.0
69.38188934326172	160.0
69.5995864868164	164.0
69.71551513671875	164.0
69.82940673828125	160.0
70.16028594970703	176.0
70.23663330078125	152.0
70.31671905517578	152.0
70.45741271972656	172.0
70.4720230102539	208.0
70.55744934082031	212.0
70.7396011352539	160.0
70.92218780517578	176.0
70.99259948730469	152.0
71.13143157958984	140.0
71.31494140625	164.0
71.3906021118164	168.0
71.49185180664062	192.0
71.55718231201172	176.0
71.60095977783203	176.0
71.71111297607422	180.0
71.76779174804688	144.0
71.92835235595703	232.0
71.96688842773438	172.0
72.3625259399414	144.0
72.43196105957031	168.0
72.45736694335938	152.0
72.56075286865234	148.0
72.70832061767578	140.0
72.72529602050781	144.0
72.78754425048828	144.0
72.99881744384766	160.0
73.04303741455078	144.0
73.09918212890625	156.0
73.22005462646484	144.0
73.27967071533203	164.0
73.32057189941406	172.0
73.41046142578125	104.0
73.4791488647461	148.0
73.4921875	136.0
73.6156997680664	164.0
73.64131927490234	156.0
73.70281219482422	188.0
73.888916015625	128.0
74.18770599365234	164.0
74.19987487792969	184.0
74.2780532836914	180.0
74.33000946044922	168.0
74.34839630126953	148.0
74.4352798461914	144.0
74.51107788085938	156.0
74.82797241210938	200.0
74.95026397705078	160.0
75.11404418945312	152.0
75.31507110595703	176.0
76.0848617553711	148.0
76.22554779052734	148.0
76.50731658935547	144.0
76.66647338867188	180.0
76.74774169921875	164.0
76.80703735351562	160.0
76.84367370605469	160.0
77.15629577636719	180.0
77.97488403320312	152.0
78.13314056396484	164.0
78.16657257080078	152.0
78.23345184326172	140.0
78.41902160644531	148.0
78.5400619506836	172.0
78.5910873413086	156.0
78.624755859375	200.0
78.68064880371094	144.0
78.83843994140625	140.0
78.87732696533203	140.0
78.92940521240234	208.0
79.2542495727539	212.0
79.51060485839844	132.0
79.53092956542969	192.0
79.59484100341797	212.0
79.67476654052734	192.0
79.80628967285156	152.0
80.04670715332031	140.0
80.06310272216797	148.0
80.12665557861328	192.0
80.19436645507812	256.0
80.22823333740234	252.0
80.24962615966797	372.0
80.34058380126953	184.0
80.37983703613281	148.0
80.44230651855469	160.0
80.73572540283203	196.0
80.86771392822266	144.0
80.9608154296875	148.0
81.02809143066406	184.0
81.31758117675781	148.0
81.50050354003906	144.0
81.88932037353516	176.0
81.91454315185547	184.0
81.92822265625	128.0
81.9649887084961	180.0
82.04969787597656	188.0
82.14347076416016	196.0
82.23729705810547	140.0
82.26798248291016	188.0
82.32034301757812	184.0
82.63304901123047	176.0
82.7077865600586	160.0
83.0660171508789	176.0
83.37104797363281	172.0
83.41830444335938	176.0
83.43595886230469	128.0
83.57289123535156	152.0
83.76222229003906	168.0
84.29130554199219	168.0
84.41378021240234	160.0
84.4942626953125	164.0
85.29328918457031	124.0
85.4206771850586	220.0
85.66551208496094	184.0
85.69498443603516	152.0
85.77054595947266	252.0
85.9346694946289	140.0
85.96050262451172	316.0
86.14922332763672	176.0
86.21099853515625	148.0
86.42244720458984	188.0
86.6390609741211	164.0
86.7910385131836	140.0
86.86893463134766	144.0
86.92273712158203	140.0
87.12139892578125	164.0
87.19200897216797	160.0
87.3267593383789	152.0
87.9428939819336	180.0
87.97245025634766	144.0
87.99111938476562	156.0
88.2358627319336	176.0
88.37451934814453	144.0
88.43343353271484	276.0
88.59330749511719	176.0
88.83325958251953	144.0
89.0472412109375	140.0
89.36869049072266	144.0
89.43832397460938	160.0
89.77556610107422	172.0
90.1242446899414	200.0
90.35733032226562	148.0
90.56366729736328	152.0
90.64512634277344	144.0
90.84040832519531	204.0
90.89258575439453	120.0
91.05241394042969	144.0
91.0966796875	168.0
91.2085952758789	152.0
91.23160552978516	232.0
91.24871063232422	152.0
91.33048248291016	172.0
91.50174713134766	164.0
91.64158630371094	180.0
91.81562805175781	204.0
92.04971313476562	324.0
92.35665893554688	156.0
92.5499496459961	144.0
92.62271881103516	248.0
92.63956451416016	324.0
92.69361114501953	180.0
92.72235107421875	164.0
92.85655975341797	180.0
93.05573272705078	164.0
93.53607177734375	152.0
93.8469009399414	220.0
94.03594970703125	160.0
94.05524444580078	156.0
94.40300750732422	180.0
94.47227478027344	148.0
94.5093994140625	204.0
94.52681732177734	184.0
94.65263366699219	176.0
94.73785400390625	168.0
94.78435516357422	148.0
94.8192367553711	164.0
94.83667755126953	152.0
94.9161605834961	164.0
94.96076202392578	164.0
94.98016357421875	140.0
95.0511245727539	624.0
95.119873046875	144.0
95.68363189697266	156.0
95.8335952758789	172.0
95.8806381225586	144.0
95.96613311767578	188.0
96.09680938720703	192.0
96.15534973144531	148.0
96.25370788574219	208.0
96.2900619506836	144.0
96.40727996826172	192.0
96.42095947265625	240.0
96.64388275146484	152.0
96.67910766601562	288.0
96.71609497070312	196.0
96.98267364501953	292.0
97.1689682006836	164.0
97.18859100341797	152.0
97.30242919921875	140.0
97.31813049316406	140.0
97.38097381591797	156.0
97.43204498291016	164.0
97.60697174072266	184.0
98.09326171875	208.0
98.24812316894531	136.0
98.2687759399414	152.0
98.35560607910156	140.0
98.48592376708984	144.0
98.59261322021484	184.0
98.72506713867188	192.0
98.83161926269531	120.0
98.90708923339844	144.0
98.97439575195312	196.0
98.99604797363281	124.0
99.01994323730469	216.0
99.03777313232422	160.0
99.24776458740234	116.0
99.81121826171875	120.0
100.03258514404297	148.0
100.10624694824219	140.0
100.13848876953125	172.0
100.23174285888672	152.0
100.27957153320312	212.0
100.3333969116211	160.0
100.59871673583984	192.0
100.7580795288086	160.0
100.8583984375	176.0
100.96036529541016	192.0
101.02236938476562	244.0
101.1484375	152.0
101.23052215576172	208.0
101.33467864990234	228.0
101.374755859375	172.0
101.55584716796875	352.0
101.6448745727539	204.0
101.69563293457031	144.0
101.73979949951172	224.0
101.84622192382812	184.0
101.9728012084961	248.0
101.99089050292969	268.0
102.22821044921875	180.0
102.31571197509766	156.0
102.66319274902344	108.0
102.72125244140625	168.0
102.75309753417969	184.0
103.38858795166016	140.0
103.54649353027344	152.0
103.56269836425781	144.0
103.59510803222656	200.0
103.93852233886719	156.0
103.96006774902344	160.0
103.9864501953125	156.0
104.04847717285156	1056.0
104.29110717773438	168.0
104.31255340576172	172.0
104.40837097167969	148.0
104.49446105957031	156.0
104.57585906982422	184.0
104.75504302978516	176.0
104.80801391601562	236.0
105.05293273925781	232.0
105.08123016357422	312.0
105.1648941040039	144.0
105.17918395996094	168.0
105.5499496459961	120.0
105.64099884033203	140.0
105.80364990234375	216.0
106.06594848632812	3504.0
106.32840728759766	180.0
106.36845397949219	152.0
106.54299926757812	248.0
106.7092056274414	172.0
106.78761291503906	148.0
106.81640625	156.0
106.84520721435547	172.0
106.91382598876953	172.0
106.97486114501953	200.0
107.01397705078125	160.0
107.04956817626953	160.0
107.0713882446289	768.0
107.19935607910156	180.0
107.80219268798828	124.0
107.82672119140625	156.0
107.89231872558594	132.0
107.94489288330078	148.0
108.04139709472656	188.0
108.07894897460938	276.0
108.22884368896484	256.0
108.48140716552734	148.0
108.4994125366211	224.0
108.5388412475586	156.0
108.66329193115234	172.0
108.73384094238281	144.0
108.92278289794922	148.0
109.00908660888672	196.0
109.08553314208984	224.0
109.32613372802734	156.0
109.3802490234375	156.0
109.47393798828125	140.0
109.66768646240234	160.0
109.73648071289062	172.0
109.82198333740234	216.0
109.95759582519531	184.0
110.21653747558594	156.0
110.26878356933594	160.0
110.30431365966797	160.0
110.40885925292969	168.0
110.48625183105469	288.0
110.5552978515625	148.0
110.77955627441406	168.0
110.8170394897461	140.0
110.94107055664062	132.0
111.0665054321289	276.0
111.3316879272461	160.0
111.348876953125	192.0
111.6041259765625	192.0
111.84059143066406	124.0
112.02873992919922	180.0
112.18184661865234	272.0
112.50796508789062	164.0
112.55670928955078	184.0
112.64522552490234	152.0
112.7635498046875	152.0
112.78045654296875	168.0
113.14006805419922	160.0
113.34659576416016	164.0
113.60629272460938	144.0
113.8143539428711	120.0
113.85820770263672	148.0
113.9171142578125	156.0
114.00971221923828	192.0
114.09095764160156	124.0
114.17127990722656	176.0
114.30955505371094	184.0
114.33721923828125	156.0
114.42449188232422	192.0
114.46707153320312	148.0
114.67584991455078	172.0
114.7376708984375	160.0
114.75472259521484	160.0
114.86021423339844	148.0
114.96199035644531	188.0
115.05626678466797	188.0
115.12387084960938	232.0
115.1473617553711	140.0
115.16444396972656	192.0
115.19007873535156	140.0
115.29476928710938	244.0
115.3118667602539	156.0
115.60271453857422	184.0
115.74185180664062	176.0
115.96123504638672	148.0
116.04781341552734	136.0
116.48605346679688	208.0
116.53761291503906	196.0
116.76332092285156	160.0
116.84506225585938	152.0
116.92682647705078	168.0
117.05690002441406	340.0
117.30591583251953	168.0
117.35980987548828	164.0
117.51726531982422	160.0
117.62948608398438	196.0
117.83248138427734	140.0
117.90179443359375	156.0
118.02051544189453	176.0
118.0656509399414	3108.0
118.29094696044922	176.0
118.36370086669922	208.0
118.3948745727539	140.0
118.45335388183594	148.0
118.4966812133789	176.0
118.65272521972656	140.0
118.89032745361328	148.0
118.94341278076172	140.0
119.03118896484375	212.0
119.07331848144531	39404.0
119.21707153320312	248.0
119.68692779541016	140.0
119.787109375	188.0
119.85247039794922	148.0
119.87207794189453	160.0
120.07953643798828	6616.0
120.12648010253906	104.0
120.15553283691406	312.0
120.18389129638672	140.0
120.24154663085938	152.0
120.29188537597656	132.0
120.41310119628906	152.0
120.50859832763672	184.0
120.63070678710938	156.0
120.7191162109375	144.0
120.84950256347656	132.0
120.89625549316406	144.0
121.06287384033203	160.0
121.08792877197266	2972.0
121.16209411621094	224.0
121.18997955322266	200.0
121.40705108642578	96.0
121.42887115478516	136.0
121.50740814208984	148.0
121.54268646240234	156.0
121.6773452758789	260.0
121.74903106689453	144.0
121.9951171875	140.0
122.0233154296875	144.0
122.06218719482422	164.0
122.09264373779297	360.0
122.19363403320312	180.0
122.93339538574219	248.0
123.01644134521484	140.0
123.07081604003906	300.0
123.10247039794922	168.0
123.17013549804688	104.0
123.45403289794922	168.0
123.53215026855469	196.0
123.5830307006836	180.0
124.07600402832031	736.0
124.27653503417969	228.0
124.42745971679688	240.0
124.51628112792969	196.0
124.61071014404297	172.0
124.8185043334961	192.0
124.88399505615234	156.0
124.9163589477539	152.0
125.07879638671875	156.0
125.15003967285156	172.0
125.43296813964844	144.0
125.46417999267578	180.0
125.59574890136719	144.0
125.70283508300781	268.0
125.7988052368164	140.0
126.09811401367188	188.0
126.40145874023438	196.0
126.4358139038086	148.0
126.59700012207031	144.0
126.65971374511719	160.0
126.6753921508789	140.0
126.74729919433594	208.0
126.79638671875	188.0
126.8412094116211	140.0
126.96900939941406	152.0
127.2337875366211	180.0
127.24950408935547	180.0
127.34156799316406	216.0
127.71916961669922	232.0
127.86091613769531	228.0
127.8946762084961	192.0
127.92393493652344	192.0
127.97346496582031	192.0
128.13902282714844	128.0
128.24378967285156	160.0
128.27084350585938	152.0
128.40756225585938	132.0
128.44671630859375	260.0
128.64981079101562	140.0
128.68040466308594	128.0
128.6972198486328	184.0
128.74533081054688	132.0
128.7920684814453	148.0
128.88922119140625	204.0
129.21253967285156	152.0
129.22837829589844	180.0
129.91029357910156	144.0
129.94886779785156	196.0
130.0856170654297	168.0
130.17356872558594	140.0
130.25306701660156	184.0
130.28492736816406	164.0
130.77830505371094	156.0
130.8397674560547	172.0
130.9763946533203	208.0
131.2384796142578	156.0
131.32969665527344	208.0
131.3821563720703	152.0
131.4104461669922	120.0
131.48622131347656	184.0
131.5236358642578	148.0
131.58299255371094	196.0
131.7125701904297	124.0
131.83120727539062	168.0
131.884521484375	144.0
131.9267120361328	148.0
131.9462432861328	168.0
132.08216857910156	520.0
132.1017608642578	168.0
132.12692260742188	180.0
132.2724151611328	152.0
132.722412109375	196.0
132.775146484375	164.0
132.87344360351562	164.0
132.923095703125	116.0
133.00595092773438	228.0
133.087646484375	140.0
133.2135467529297	184.0
133.34579467773438	180.0
133.4663543701172	184.0
133.490234375	172.0
133.5341033935547	180.0
133.64805603027344	136.0
133.70266723632812	376.0
133.7601318359375	264.0
133.8499298095703	280.0
133.87364196777344	172.0
133.89959716796875	120.0
133.94091796875	240.0
133.9698486328125	136.0
133.99795532226562	364.0
134.018798828125	220.0
134.04649353027344	508.0
134.0621795654297	424.0
134.09786987304688	198548.0
134.16622924804688	228.0
134.20472717285156	108.0
134.22422790527344	220.0
134.25616455078125	272.0
134.30422973632812	312.0
134.3541717529297	124.0
134.378173828125	180.0
134.3991241455078	136.0
134.40557861328125	216.0
134.45309448242188	232.0
134.47592163085938	3560.0
134.66087341308594	196.0
134.6966094970703	204.0
134.72215270996094	100.0
134.75985717773438	120.0
134.80833435058594	228.0
134.87025451660156	276.0
134.9423828125	152.0
134.99855041503906	112.0
135.02078247070312	320.0
135.06532287597656	148.0
135.10330200195312	69024.0
135.14385986328125	284.0
135.1855926513672	200.0
135.25885009765625	108.0
135.31370544433594	144.0
135.3763885498047	132.0
135.42396545410156	128.0
135.4461212158203	188.0
135.48544311523438	124.0
135.6727294921875	144.0
135.69644165039062	120.0
135.77975463867188	248.0
135.80262756347656	128.0
135.85678100585938	152.0
135.93006896972656	204.0
135.97335815429688	248.0
136.0463409423828	172.0
136.07180786132812	348.0
136.10667419433594	3780.0
136.17115783691406	188.0
136.1882781982422	280.0
136.21493530273438	164.0
136.25645446777344	100.0
136.29000854492188	120.0
136.87010192871094	252.0
136.9945831298828	216.0
137.05438232421875	108.0
137.11358642578125	304.0
137.18458557128906	104.0
137.21875	168.0
137.24862670898438	152.0
137.28660583496094	144.0
137.49717712402344	148.0
137.60455322265625	144.0
137.67694091796875	212.0
137.79415893554688	108.0
137.8271484375	120.0
138.00738525390625	164.0
138.10931396484375	180.0
138.1737518310547	124.0
138.2613983154297	144.0
138.5775146484375	152.0
138.70606994628906	112.0
138.8896026611328	156.0
138.98313903808594	188.0
139.0619354248047	596.0
139.26669311523438	152.0
140.04808044433594	176.0
140.07162475585938	140.0
140.2294921875	112.0
140.38644409179688	224.0
140.47943115234375	152.0
140.93411254882812	136.0
141.30392456054688	144.0
141.5027313232422	164.0
141.8420867919922	144.0
142.33970642089844	204.0
142.5606231689453	160.0
142.6215057373047	104.0
142.70681762695312	136.0
142.94778442382812	220.0
142.9744110107422	160.0
143.40548706054688	144.0
143.5103759765625	156.0
143.75100708007812	100.0
143.82498168945312	232.0
144.44175720214844	140.0
145.07090759277344	152.0
145.09609985351562	168.0
145.3857421875	148.0
145.46734619140625	160.0
145.76585388183594	180.0
145.81321716308594	140.0
145.9923095703125	136.0
146.04014587402344	188.0
146.43768310546875	108.0
146.56027221679688	136.0
146.94981384277344	144.0
147.7882080078125	144.0
148.2531280517578	228.0
148.4058380126953	168.0
148.64596557617188	196.0
148.92758178710938	156.0
149.0198974609375	152.0
149.39186096191406	172.0
149.75454711914062	140.0
150.06402587890625	152.0
150.5684356689453	140.0
150.6448516845703	164.0
150.72618103027344	168.0
150.75387573242188	156.0
150.88743591308594	112.0
151.01150512695312	200.0
151.2880096435547	184.0
151.33941650390625	140.0
151.4251251220703	168.0
152.11166381835938	144.0
152.2211456298828	176.0
152.27371215820312	160.0
152.37197875976562	140.0
152.39378356933594	160.0
152.45448303222656	128.0
153.00210571289062	200.0
153.22567749023438	148.0
153.2650909423828	148.0
153.41207885742188	188.0
153.73114013671875	184.0
153.83480834960938	192.0
154.20530700683594	144.0
154.28504943847656	140.0
154.34127807617188	180.0
154.58517456054688	232.0
154.695068359375	148.0
155.03631591796875	144.0
155.18063354492188	152.0
155.230224609375	196.0
155.24757385253906	164.0
155.3636932373047	192.0
156.1110076904297	116.0
156.3928985595703	156.0
157.00579833984375	164.0
157.18540954589844	176.0
157.89736938476562	172.0
157.98741149902344	156.0
158.48313903808594	168.0
158.71372985839844	140.0
158.91607666015625	108.0
159.02479553222656	140.0
159.22744750976562	216.0
159.30853271484375	176.0
159.4241180419922	228.0
159.70318603515625	220.0
159.732177734375	160.0
160.32888793945312	160.0
160.4578857421875	144.0
160.7562713623047	168.0
160.8395538330078	156.0
161.2108154296875	148.0
161.47625732421875	140.0
161.59262084960938	168.0
161.72421264648438	140.0
161.74192810058594	144.0
161.87864685058594	144.0
162.21054077148438	148.0
162.3395233154297	140.0
162.42100524902344	192.0
162.7407684326172	148.0
162.9337921142578	152.0
163.44992065429688	276.0
163.50845336914062	140.0
163.82785034179688	188.0
164.02293395996094	144.0
164.05862426757812	172.0
164.19422912597656	112.0
165.00833129882812	168.0
165.1924591064453	248.0
165.49188232421875	168.0
166.06785583496094	412.0
166.2993927001953	176.0
167.09251403808594	1260.0
167.22073364257812	100.0
167.2899627685547	108.0
167.75985717773438	144.0
167.83518981933594	148.0
167.90322875976562	156.0
167.92478942871094	172.0
168.09503173828125	336.0
168.1206512451172	120.0
168.14732360839844	164.0
168.44166564941406	144.0
168.6638946533203	180.0
168.8074188232422	144.0
169.5127716064453	156.0
169.62420654296875	164.0
169.8783416748047	188.0
170.0807342529297	172.0
170.5237274169922	180.0
170.5586700439453	144.0
170.85511779785156	164.0
171.0138397216797	152.0
171.27943420410156	176.0
171.31849670410156	164.0
171.5738983154297	140.0
172.08786010742188	212.0
172.5790557861328	164.0
173.45606994628906	152.0
173.67672729492188	132.0
173.9649658203125	164.0
174.00172424316406	208.0
174.05685424804688	140.0
174.24070739746094	140.0
174.26943969726562	120.0
174.3311004638672	168.0
174.36158752441406	164.0
174.51141357421875	140.0
174.5456085205078	152.0
174.6864776611328	148.0
175.30015563964844	132.0
175.9420166015625	156.0
176.07139587402344	160.0
176.50076293945312	240.0
176.5973358154297	144.0
177.16644287109375	140.0
177.34132385253906	144.0
177.8054656982422	244.0
178.09486389160156	144.0
178.16668701171875	200.0
178.32168579101562	176.0
178.61317443847656	148.0
178.71473693847656	112.0
179.21580505371094	196.0
179.3657684326172	144.0
179.42803955078125	220.0
179.5560302734375	176.0
179.88058471679688	120.0
179.9482879638672	140.0
180.17530822753906	144.0
180.6885986328125	140.0
180.78225708007812	148.0
181.05799865722656	168.0
181.14508056640625	156.0
181.3268280029297	128.0
182.20333862304688	152.0
182.5688934326172	140.0
182.60655212402344	224.0
182.7867889404297	156.0
183.9834747314453	160.0
184.1697998046875	140.0
184.3075714111328	252.0
184.45529174804688	176.0
184.7590789794922	188.0
184.80810546875	172.0
184.91873168945312	160.0
185.07186889648438	168.0
185.1365203857422	108.0
185.53903198242188	168.0
185.56344604492188	160.0
185.60411071777344	168.0
185.95948791503906	148.0
186.00291442871094	180.0
186.35867309570312	156.0
186.39942932128906	152.0
186.5461883544922	156.0
188.0606689453125	168.0
188.0906982421875	204.0
188.34463500976562	148.0
188.4839630126953	176.0
189.25804138183594	192.0
189.63882446289062	240.0
189.74024963378906	140.0
189.85540771484375	188.0
189.87734985351562	160.0
190.0940704345703	168.0
190.36033630371094	180.0
190.4509735107422	156.0
190.54556274414062	128.0
191.25006103515625	172.0
191.41441345214844	124.0
191.54847717285156	196.0
191.69189453125	144.0
191.79547119140625	144.0
191.94808959960938	148.0
191.9894561767578	184.0
192.02647399902344	132.0
192.1953582763672	180.0
193.01394653320312	168.0
193.09344482421875	160.0
193.24627685546875	144.0
193.41282653808594	132.0
193.84713745117188	140.0
193.9912567138672	168.0
194.013427734375	148.0
194.50442504882812	208.0
194.65435791015625	148.0
194.6765594482422	176.0
195.6190948486328	156.0
196.28775024414062	184.0
196.53880310058594	164.0
196.57786560058594	144.0
196.82293701171875	156.0
197.01622009277344	188.0
197.29287719726562	176.0
197.46725463867188	144.0
197.8505096435547	172.0
198.2557373046875	160.0
198.3454132080078	184.0
199.07534790039062	168.0
199.60508728027344	192.0
199.79722595214844	152.0
199.8985137939453	144.0
199.966064453125	164.0
200.18565368652344	164.0
200.5789337158203	152.0
201.1328582763672	128.0
201.16680908203125	148.0
201.35598754882812	200.0
201.64341735839844	316.0
201.83921813964844	148.0
201.88729858398438	184.0
202.05982971191406	156.0
202.5807342529297	148.0
202.67140197753906	148.0
202.70082092285156	96.0
203.03424072265625	180.0
203.08602905273438	144.0
203.11907958984375	144.0
203.79782104492188	152.0
203.8546600341797	148.0
204.0962677001953	160.0
204.27259826660156	164.0
204.53561401367188	176.0
206.02005004882812	144.0
206.1886444091797	156.0
206.25875854492188	128.0
206.2801055908203	216.0
206.5889434814453	196.0
206.6626739501953	124.0
207.0680694580078	188.0
207.31045532226562	148.0
207.63726806640625	156.0
208.4180908203125	212.0
208.59339904785156	140.0
208.64944458007812	152.0
208.8751983642578	156.0
208.93344116210938	208.0
209.00177001953125	164.0
209.12344360351562	144.0
209.1541748046875	188.0
209.37599182128906	160.0
209.9235382080078	156.0
210.12533569335938	272.0
210.22354125976562	144.0
210.33033752441406	148.0
210.51222229003906	164.0
210.564453125	140.0
210.89645385742188	196.0
211.0092010498047	292.0
211.95565795898438	180.0
212.01651000976562	188.0
212.0686798095703	240.0
212.14730834960938	160.0
212.7154998779297	152.0
212.757568359375	156.0
212.88389587402344	172.0
212.90423583984375	184.0
213.1154022216797	140.0
213.21881103515625	140.0
213.46798706054688	152.0
213.7617950439453	156.0
214.3995361328125	176.0
214.48397827148438	136.0
214.74356079101562	152.0
214.9623565673828	148.0
215.1316375732422	220.0
215.54052734375	184.0
215.8119354248047	112.0
216.13470458984375	176.0
216.26727294921875	132.0
216.46487426757812	152.0
216.59666442871094	216.0
216.70211791992188	156.0
216.94830322265625	164.0
217.1630096435547	144.0
217.31556701660156	140.0
217.4645538330078	168.0
217.53286743164062	128.0
217.62600708007812	140.0
217.88327026367188	128.0
218.7472686767578	152.0
218.8267822265625	112.0
219.11715698242188	152.0
219.59649658203125	176.0
219.9539337158203	244.0
220.2035675048828	132.0
220.30311584472656	156.0
220.52316284179688	136.0
220.97694396972656	164.0
221.8626708984375	140.0
221.92172241210938	140.0
222.12863159179688	256.0
222.31944274902344	164.0
222.553955078125	168.0
222.64601135253906	152.0
223.1399688720703	168.0
223.2129669189453	172.0
223.29388427734375	176.0
223.314697265625	160.0
223.65390014648438	144.0
224.14576721191406	332.0
224.2246551513672	172.0
224.36285400390625	164.0
224.45303344726562	164.0
224.54176330566406	164.0
225.1415252685547	124.0
225.32980346679688	144.0
225.51075744628906	108.0
225.6256866455078	236.0
225.85684204101562	144.0
225.8948211669922	140.0
226.1204833984375	144.0
226.20602416992188	220.0
226.3210906982422	148.0
226.3903045654297	176.0
226.5653839111328	148.0
226.63429260253906	192.0
226.80511474609375	140.0
226.82908630371094	140.0
227.1314697265625	292.0
227.24594116210938	208.0
227.58810424804688	248.0
227.61813354492188	152.0
228.15065002441406	148.0
228.85092163085938	144.0
228.93222045898438	140.0
229.2610626220703	152.0
229.7671356201172	188.0
230.2602996826172	140.0
231.07833862304688	260.0
231.1013641357422	120.0
231.19761657714844	124.0
231.39915466308594	188.0
231.46878051757812	144.0
232.03536987304688	172.0
232.38986206054688	164.0
232.7271270751953	160.0
232.95213317871094	180.0
233.11289978027344	164.0
233.25640869140625	128.0
233.31349182128906	152.0
233.34584045410156	144.0
233.59326171875	144.0
233.7742919921875	120.0
233.91419982910156	184.0
234.2514190673828	116.0
234.4560546875	116.0
234.5775604248047	136.0
234.628662109375	192.0
236.14332580566406	312.0
236.28961181640625	112.0
236.4950714111328	204.0
237.06166076660156	156.0
237.14541625976562	120.0
237.18731689453125	148.0
237.31973266601562	124.0
237.7976837158203	180.0
238.11358642578125	112.0
238.8098907470703	160.0
238.87245178222656	136.0
238.96539306640625	180.0
239.12403869628906	296.0
240.0989532470703	192.0
240.1376495361328	3112.0
240.2038116455078	152.0
240.2686004638672	216.0
240.6605682373047	168.0
240.93508911132812	144.0
240.98486328125	176.0
241.14413452148438	2408.0
241.6929168701172	168.0
241.9374237060547	140.0
242.14906311035156	468.0
242.23780822753906	180.0
242.45159912109375	148.0
242.52053833007812	180.0
242.61587524414062	188.0
242.99423217773438	240.0
243.44740295410156	160.0
243.5964813232422	160.0
243.96939086914062	196.0
244.7876739501953	160.0
245.39215087890625	176.0
245.51376342773438	184.0
245.8092803955078	136.0
246.69085693359375	156.0
247.6005859375	160.0
248.54345703125	144.0
248.8731231689453	160.0
249.70411682128906	140.0
250.245361328125	176.0
250.43309020996094	104.0
250.5760498046875	220.0
250.84422302246094	168.0
251.06777954101562	144.0
251.15170288085938	112.0
251.3453826904297	164.0
251.40533447265625	148.0
251.5653533935547	140.0
251.76205444335938	192.0
251.90419006347656	152.0
252.50157165527344	212.0
253.06483459472656	140.0
253.1466827392578	508.0
253.27293395996094	140.0
254.1494140625	380.0
254.25035095214844	168.0
254.91871643066406	164.0
255.30189514160156	144.0
255.6900177001953	144.0
255.75320434570312	136.0
256.065673828125	188.0
256.5243225097656	188.0
256.62652587890625	152.0
257.1388854980469	136.0
257.1624450683594	252.0
257.683349609375	132.0
258.4790954589844	184.0
258.7078552246094	144.0
258.9080505371094	176.0
259.3758239746094	156.0
259.55615234375	100.0
259.7296142578125	120.0
260.03656005859375	152.0
260.1617431640625	168.0
260.31414794921875	168.0
260.6145935058594	140.0
260.797607421875	164.0
261.0067138671875	148.0
261.396484375	140.0
261.46795654296875	156.0
262.097900390625	160.0
262.9395751953125	176.0
263.4378967285156	152.0
263.69207763671875	148.0
264.1624450683594	136.0
264.2482604980469	188.0
264.5486145019531	212.0
264.59130859375	168.0
265.14520263671875	144.0
266.0443115234375	164.0
266.19696044921875	116.0
266.2341613769531	132.0
266.368408203125	144.0
266.72259521484375	144.0
267.38934326171875	168.0
267.6250915527344	164.0
267.740966796875	180.0
267.7637634277344	140.0
268.1197509765625	132.0
268.3731384277344	140.0
268.787353515625	200.0
269.1300964355469	188.0
269.1954040527344	268.0
269.3096923828125	204.0
269.56451416015625	172.0
270.146484375	176.0
270.35467529296875	172.0
270.9601745605469	112.0
271.20416259765625	148.0
271.3516540527344	152.0
271.38116455078125	184.0
271.9782409667969	176.0
272.37164306640625	176.0
272.58843994140625	160.0
273.1378173828125	336.0
273.42437744140625	192.0
273.548828125	192.0
273.73712158203125	168.0
274.1341857910156	140.0
274.24444580078125	140.0
274.3136901855469	160.0
274.4191589355469	176.0
274.4686279296875	156.0
274.72918701171875	156.0
274.7687683105469	144.0
275.0261535644531	144.0
275.0723571777344	140.0
275.2704772949219	276.0
275.64373779296875	148.0
275.94781494140625	172.0
276.067626953125	152.0
276.1925354003906	168.0
276.2449645996094	136.0
276.72296142578125	140.0
277.3149719238281	180.0
277.4588928222656	164.0
277.6435546875	180.0
277.7141418457031	140.0
278.0662536621094	176.0
278.25372314453125	156.0
278.30352783203125	152.0
278.4192199707031	128.0
279.0810852050781	176.0
279.13885498046875	152.0
279.3337707519531	180.0
279.48681640625	148.0
279.7863464355469	200.0
280.0946044921875	112.0
280.3684997558594	128.0
280.5008850097656	176.0
280.8390197753906	208.0
280.9643859863281	152.0
281.04949951171875	180.0
281.1645812988281	204.0
281.269775390625	160.0
281.6838073730469	152.0
281.8771667480469	128.0
282.1204528808594	188.0
282.285400390625	304.0
282.3121643066406	156.0
282.7001953125	148.0
282.7704772949219	168.0
283.00408935546875	188.0
283.12939453125	160.0
283.2961730957031	180.0
283.3631896972656	144.0
283.5959167480469	176.0
283.67486572265625	168.0
283.7658386230469	112.0
284.4687805175781	136.0
284.5978088378906	144.0
284.69818115234375	160.0
284.7787780761719	180.0
285.06097412109375	168.0
285.1853332519531	156.0
285.44232177734375	112.0
285.6708679199219	220.0
285.8209228515625	160.0
286.1261901855469	2340.0
286.48175048828125	116.0
286.61895751953125	204.0
286.96112060546875	140.0
287.0768127441406	96.0
287.1278991699219	720.0
287.425537109375	120.0
287.96746826171875	148.0
288.0798034667969	160.0
288.118896484375	268.0
288.3008728027344	156.0
288.461669921875	140.0
288.61492919921875	132.0
288.9384765625	152.0
289.18890380859375	204.0
289.2667541503906	144.0
289.5274353027344	200.0
289.7171325683594	168.0
289.7442321777344	188.0
290.0526123046875	140.0
290.68341064453125	200.0
291.10772705078125	148.0
292.1205749511719	140.0
292.86260986328125	232.0
293.29534912109375	144.0
294.1310119628906	148.0
294.4109802246094	188.0
294.8922424316406	148.0
295.1354064941406	148.0
295.761474609375	160.0
296.2421875	124.0
296.48291015625	160.0
296.55267333984375	152.0
296.9195251464844	176.0
298.4785461425781	260.0
298.9528503417969	100.0
299.4007873535156	144.0
299.43511962890625	124.0
300.23822021484375	168.0
300.33587646484375	180.0
300.38653564453125	152.0
300.4624328613281	144.0
300.5210876464844	256.0
300.9292907714844	164.0
301.2046203613281	300.0
301.30596923828125	252.0
302.17138671875	176.0
302.6571350097656	212.0
303.0093994140625	196.0
303.2340087890625	128.0
303.76446533203125	140.0
303.8875732421875	500.0
303.9153137207031	196.0
304.1096496582031	168.0
305.39520263671875	148.0
305.86767578125	164.0
306.27581787109375	196.0
306.4046936035156	148.0
306.8235778808594	148.0
307.2449035644531	172.0
307.40191650390625	144.0
307.46820068359375	140.0
307.5694274902344	148.0
307.6441955566406	180.0
307.7090759277344	152.0
307.7334899902344	148.0
307.890625	124.0
308.218994140625	176.0
308.4256286621094	132.0
308.4776306152344	140.0
309.1876525878906	164.0
310.25946044921875	188.0
310.3506164550781	236.0
310.7579345703125	124.0
310.8197021484375	136.0
310.99407958984375	144.0
311.0663146972656	168.0
311.2237548828125	104.0
311.4771423339844	168.0
312.4016418457031	200.0
312.6502685546875	152.0
312.9705505371094	148.0
313.26763916015625	140.0
313.5706481933594	172.0
313.69403076171875	168.0
313.7978820800781	208.0
313.9055480957031	152.0
313.9950866699219	136.0
314.1189270019531	500.0
314.1700744628906	168.0
314.38446044921875	164.0
314.4415283203125	112.0
314.54766845703125	156.0
314.6288757324219	172.0
314.8350830078125	168.0
315.03497314453125	184.0
315.1197814941406	356.0
315.5650939941406	192.0
315.7194519042969	104.0
316.02801513671875	144.0
316.11798095703125	156.0
317.1368408203125	164.0
317.5197448730469	196.0
317.6758117675781	140.0
317.9632263183594	168.0
318.0377502441406	160.0
318.1571960449219	172.0
318.588134765625	176.0
318.66815185546875	244.0
318.9008483886719	164.0
319.07147216796875	140.0
319.1674499511719	168.0
319.55316162109375	156.0
319.7508544921875	204.0
319.87188720703125	212.0
319.9359436035156	140.0
320.46661376953125	140.0
320.7218017578125	196.0
320.96917724609375	148.0
321.2616271972656	204.0
321.87908935546875	148.0
321.9294128417969	128.0
322.23626708984375	168.0
322.5221252441406	252.0
322.6901550292969	144.0
322.84033203125	156.0
322.9414367675781	176.0
323.6490478515625	228.0
323.7063293457031	148.0
324.05377197265625	204.0
324.36553955078125	212.0
324.88909912109375	148.0
325.2660827636719	140.0
325.733642578125	152.0
325.7757873535156	188.0
326.2554626464844	128.0
326.3893127441406	124.0
326.66009521484375	200.0
326.8777770996094	120.0
327.15643310546875	148.0
327.35345458984375	172.0
327.7257385253906	160.0
328.2976379394531	184.0
329.0566101074219	172.0
329.262451171875	196.0
329.56158447265625	148.0
330.5176086425781	144.0
331.7543640136719	104.0
332.4409484863281	204.0
332.79669189453125	224.0
332.9359130859375	128.0
333.0579528808594	148.0
333.2470703125	168.0
333.5360412597656	124.0
333.5872802734375	104.0
333.661376953125	140.0
333.91229248046875	160.0
334.2069396972656	160.0
335.2920837402344	144.0
335.5436096191406	188.0
335.7481994628906	108.0
335.9046325683594	156.0
335.9374694824219	172.0
336.35028076171875	148.0
336.8865966796875	228.0
337.1971740722656	140.0
337.3580017089844	148.0
337.4896240234375	212.0
337.5846862792969	144.0
337.6322326660156	176.0
338.6874694824219	160.0
338.9793701171875	168.0
339.129638671875	164.0
339.6099548339844	140.0
339.7603454589844	148.0
340.0171813964844	164.0
340.0649108886719	216.0
340.2704772949219	144.0
340.4581604003906	172.0
341.27349853515625	168.0
341.65966796875	164.0
341.7590026855469	144.0
342.302490234375	204.0
342.73260498046875	124.0
343.3524475097656	196.0
343.6950378417969	144.0
343.74078369140625	128.0
344.3313293457031	144.0
344.6238708496094	192.0
345.1672058105469	176.0
345.3225402832031	156.0
346.0516662597656	96.0
346.3440856933594	196.0
346.6663818359375	172.0
346.7071533203125	152.0
346.9703369140625	480.0
346.9992370605469	200.0
347.34759521484375	136.0
348.0264587402344	268.0
348.3001403808594	192.0
348.46221923828125	212.0
348.5031433105469	160.0
348.5365905761719	156.0
348.783935546875	164.0
348.84814453125	144.0
349.7545471191406	196.0
350.0218200683594	136.0
350.2330017089844	148.0
350.51446533203125	108.0
350.6092834472656	164.0
350.6567687988281	108.0
351.1169128417969	100.0
351.3798828125	124.0
351.58636474609375	140.0
351.86932373046875	124.0
351.91485595703125	168.0
352.3005065917969	140.0
352.3331604003906	152.0
352.4601745605469	260.0
352.6842956542969	136.0
352.8227233886719	196.0
352.89837646484375	168.0
353.18829345703125	132.0
353.5122375488281	172.0
353.57659912109375	136.0
353.7110290527344	104.0
353.8098449707031	284.0
353.89080810546875	132.0
353.9267272949219	152.0
354.03753662109375	172.0
354.1325988769531	164.0
354.1848449707031	140.0
354.2530212402344	196.0
354.3916931152344	160.0
354.4591064453125	124.0
354.72760009765625	220.0
354.7898254394531	96.0
354.95672607421875	196.0
355.06005859375	316.0
355.101318359375	392.0
355.19146728515625	148.0
355.2752685546875	424.0
355.32659912109375	100.0
355.3509216308594	264.0
355.3992614746094	164.0
355.427734375	232.0
355.52471923828125	212.0
355.5838928222656	192.0
355.6226501464844	248.0
355.6805725097656	144.0
355.7358093261719	228.0
355.76556396484375	292.0
355.8033142089844	188.0
355.8381042480469	124.0
355.8851318359375	172.0
355.948974609375	432.0
355.9786376953125	320.0
356.02716064453125	564.0
356.05487060546875	264.0
356.0867919921875	536.0
356.12750244140625	508.0
356.16741943359375	364.0
356.24493408203125	528.0
356.2964782714844	204.0
356.3592834472656	608.0
356.4166259765625	460.0
356.4551086425781	312.0
356.49261474609375	228.0
356.5476989746094	384.0
356.5859069824219	248.0
356.6134948730469	660.0
356.6683349609375	444.0
356.7153015136719	608.0
356.7750244140625	456.0
356.8172912597656	344.0
356.8548583984375	508.0
356.937255859375	592.0
356.9729309082031	664.0
357.0143737792969	1068.0
357.05938720703125	1716.0
357.12969970703125	254704.0
357.2597961425781	268.0
357.3830261230469	676.0
357.47845458984375	3188.0
357.5419616699219	1008.0
357.6049499511719	1104.0
357.6431579589844	3168.0
357.7023620605469	2504.0
357.7768859863281	15508.0
357.8432922363281	476.0
357.87017822265625	396.0
357.90057373046875	500.0
357.94354248046875	248.0
358.06158447265625	708.0
358.1318054199219	171584.0
358.2574157714844	128.0
358.3972473144531	964.0
358.42803955078125	252.0
358.46807861328125	464.0
358.545654296875	112.0
358.5929260253906	200.0
358.654541015625	176.0
358.70166015625	684.0
358.751220703125	2604.0
358.7912292480469	140.0
358.85491943359375	196.0
358.9266357421875	96.0
358.9625549316406	328.0
359.0226135253906	232.0
359.0704040527344	440.0
359.1270446777344	67520.0
359.2989807128906	216.0
359.3758544921875	240.0
359.4816589355469	144.0
359.509521484375	140.0
359.5600891113281	244.0
359.6076965332031	116.0
359.67071533203125	216.0
359.8018493652344	316.0
359.8792724609375	248.0
359.94573974609375	268.0
359.9743957519531	176.0
360.0330505371094	352.0
360.12725830078125	7920.0
360.206787109375	348.0
360.2757873535156	324.0
360.3229064941406	472.0
360.3570861816406	240.0
360.39349365234375	376.0
360.44305419921875	564.0
360.4766540527344	572.0
360.58343505859375	492.0
360.621337890625	480.0
360.7162170410156	104.0
360.7543029785156	188.0
360.8167724609375	152.0
360.87677001953125	140.0
360.92083740234375	124.0
361.00396728515625	124.0
361.1060791015625	112.0
361.1212158203125	324.0
361.2713623046875	148.0
361.362060546875	260.0
361.4133605957031	124.0
361.48138427734375	104.0
361.5220642089844	172.0
361.5963439941406	216.0
361.6470031738281	120.0
361.6868591308594	296.0
361.936279296875	116.0
362.0745849609375	112.0
362.23590087890625	104.0
362.47442626953125	156.0
362.55108642578125	192.0
362.6033630371094	144.0
362.66497802734375	108.0
362.7734069824219	184.0
362.90521240234375	164.0
363.6447448730469	112.0
363.9207458496094	104.0
364.042236328125	100.0
364.3777770996094	160.0
364.6910095214844	148.0
365.55072021484375	100.0
370.1922912597656	100.0
370.7023620605469	96.0
371.670166015625	196.0
371.7566833496094	112.0
371.8370056152344	160.0
371.978515625	96.0
373.324462890625	128.0
373.95062255859375	176.0
376.6651611328125	104.0
378.9191589355469	152.0
380.2155456542969	120.0
387.7843322753906	144.0
417.1141052246094	172.0
474.0671691894531	176.0
499.26177978515625	96.0
518.00244140625	188.0
523.73193359375	112.0
538.2662963867188	100.0
550.8128662109375	156.0
553.1181030273438	140.0
555.2716064453125	244.0
556.2567749023438	104.0
580.838623046875	100.0
594.7948608398438	144.0
617.3624877929688	152.0
827.176513671875	168.0
933.8585205078125	168.0
985.1473999023438	248.0
986.25341796875	164.0
991.7301025390625	184.0
1010.8250122070312	184.0
1024.9443359375	148.0
1031.8082275390625	152.0
1049.322509765625	152.0
1055.0128173828125	208.0
1062.36669921875	208.0
1063.5152587890625	252.0
1067.97900390625	288.0
1097.0926513671875	168.0
1108.5335693359375	156.0
1113.73486328125	152.0
1115.4625244140625	184.0
1120.9266357421875	172.0
1136.5802001953125	160.0
1138.31201171875	184.0
1141.5240478515625	168.0
1141.5845947265625	208.0
1175.5987548828125	168.0
1178.166015625	224.0
1185.1375732421875	172.0
1198.866943359375	144.0
1200.997314453125	160.0
1202.0872802734375	140.0
1203.440185546875	224.0
1205.9892578125	168.0
1213.3406982421875	196.0
1213.992431640625	164.0
1226.5975341796875	148.0
1227.2528076171875	236.0
1228.9547119140625	148.0
1230.162109375	168.0
1235.5850830078125	140.0
1237.7967529296875	172.0
1246.853271484375	240.0
1248.6600341796875	224.0
1248.8428955078125	180.0
1250.7344970703125	120.0
1255.3150634765625	176.0
1261.125244140625	172.0
1263.0626220703125	140.0
1276.9432373046875	144.0
1277.5762939453125	164.0
1280.580078125	216.0
1284.7572021484375	152.0
1288.248046875	144.0
1297.752197265625	148.0
1300.664794921875	184.0
1302.9267578125	164.0
1309.9984130859375	140.0
1312.9534912109375	152.0
1313.8406982421875	160.0
1314.5550537109375	172.0
1316.0635986328125	152.0
1316.1141357421875	148.0
1317.9488525390625	196.0
1329.98486328125	184.0
1331.1043701171875	188.0
1331.8218994140625	152.0
1331.95263671875	196.0
1341.485107421875	152.0
1342.8553466796875	160.0
1343.242431640625	156.0
1343.8406982421875	152.0
1345.8900146484375	172.0
1347.5570068359375	156.0
1351.3076171875	168.0
1357.6802978515625	140.0
1358.56787109375	228.0
1359.529052734375	172.0
1361.459716796875	168.0
1361.650634765625	176.0
1363.0538330078125	204.0
1367.2674560546875	152.0
1368.128662109375	188.0
1372.2396240234375	188.0
1375.175537109375	160.0
1380.2877197265625	276.0
1384.676025390625	164.0
1385.1055908203125	172.0
1395.6513671875	172.0
1396.78173828125	148.0
1399.483154296875	188.0
1407.90185546875	216.0
1412.019775390625	160.0
1413.9425048828125	152.0
1417.2747802734375	200.0
1422.6822509765625	168.0
1423.921142578125	160.0
1428.7919921875	196.0
1430.83154296875	248.0
1432.0181884765625	116.0
1432.390380859375	216.0
1432.864990234375	148.0
1433.4827880859375	248.0
1434.3721923828125	156.0
1436.973876953125	144.0
1437.109619140625	220.0
1438.6068115234375	184.0
1439.291015625	172.0
1440.287841796875	180.0
1444.6192626953125	160.0
1445.3153076171875	208.0
1446.00390625	212.0
1448.2601318359375	156.0
1448.873779296875	188.0
1449.752685546875	348.0
1451.1473388671875	168.0
1452.6717529296875	168.0
1452.8157958984375	140.0
1453.9388427734375	248.0
1456.656982421875	148.0
1457.796630859375	160.0
1461.36279296875	204.0
1461.918212890625	264.0
1462.9761962890625	152.0
1465.4361572265625	168.0
1470.759033203125	152.0
1471.3468017578125	152.0
1478.0345458984375	164.0
1479.9327392578125	208.0
1481.5028076171875	164.0
1487.591552734375	160.0
1488.2056884765625	224.0
1492.9161376953125	260.0
1494.115966796875	156.0
1498.7047119140625	236.0
1501.08642578125	196.0
1505.060302734375	160.0
1506.5740966796875	256.0
1509.101318359375	220.0
1509.31005859375	148.0
1512.9927978515625	260.0
1518.6650390625	184.0
1519.588134765625	192.0
1519.9111328125	244.0
1520.48828125	168.0
1522.700927734375	172.0
1524.29345703125	156.0
1524.5032958984375	188.0
1524.5732421875	140.0
1529.17724609375	172.0
1530.485107421875	172.0
1530.5941162109375	196.0
1538.0916748046875	204.0
1538.390625	144.0
1539.2962646484375	160.0
1543.531494140625	156.0
1546.676513671875	168.0
1547.8978271484375	152.0
1549.84814453125	188.0
1552.3782958984375	224.0
1554.05859375	168.0
1554.4117431640625	184.0
1556.0992431640625	200.0
1559.63427734375	244.0
1559.752197265625	256.0
1560.8135986328125	176.0
1561.1595458984375	192.0
1562.693359375	148.0
1565.2435302734375	180.0
1566.6297607421875	156.0
1570.9879150390625	200.0
1573.4088134765625	104.0
1580.5885009765625	156.0
1582.1951904296875	148.0
1585.45849609375	160.0
1586.4888916015625	176.0
1587.5672607421875	164.0
1589.0902099609375	192.0
1590.931396484375	160.0
1591.1453857421875	148.0
1591.677734375	140.0
1593.46484375	180.0
1594.521728515625	140.0
1597.2806396484375	180.0
1597.7261962890625	180.0
1597.7977294921875	196.0
1598.6968994140625	148.0
1599.779296875	164.0
1600.2501220703125	152.0
1601.05322265625	160.0
1601.905517578125	180.0
1605.5081787109375	168.0
1606.1063232421875	220.0
1610.8876953125	160.0
1612.022216796875	148.0
1612.9093017578125	140.0
1613.7567138671875	220.0
1614.25244140625	164.0
1615.980224609375	156.0
1618.92578125	160.0
1620.752197265625	152.0
1621.0325927734375	156.0
1621.8341064453125	404.0
1625.2744140625	148.0
1626.518310546875	156.0
1627.56201171875	164.0
1629.73876953125	144.0
1630.4459228515625	160.0
1631.9249267578125	192.0
1633.1312255859375	160.0
1633.332275390625	168.0
1634.4263916015625	160.0
1637.3887939453125	196.0
1640.095947265625	176.0
1640.966552734375	176.0
1643.8138427734375	172.0
1646.06591796875	176.0
1648.537841796875	156.0
1649.6612548828125	172.0
1650.9710693359375	224.0
1651.108642578125	164.0
1653.527587890625	232.0
1654.4503173828125	188.0
1657.5361328125	168.0
1657.751708984375	164.0
1659.499267578125	124.0
1659.9598388671875	176.0
1662.474609375	224.0
1662.677490234375	184.0
1667.2171630859375	180.0
1667.8348388671875	204.0
1671.867919921875	164.0
1674.5391845703125	164.0
1677.6844482421875	140.0
1679.19287109375	144.0
1680.64501953125	240.0
1681.510009765625	232.0
1683.3631591796875	192.0
1684.699951171875	172.0
1686.3367919921875	184.0
1687.4486083984375	176.0
1687.8656005859375	184.0
1688.2989501953125	156.0
1694.9130859375	176.0
1695.6998291015625	160.0
1695.8309326171875	156.0
1696.3519287109375	256.0
1701.318603515625	144.0
1702.384521484375	160.0
1702.8704833984375	180.0
1705.2203369140625	256.0
1706.724609375	172.0
1707.0535888671875	176.0
1710.5870361328125	164.0
1712.0733642578125	148.0
1713.284912109375	196.0
1715.5174560546875	228.0
1715.6494140625	196.0
1716.614013671875	196.0
1721.3077392578125	188.0
1723.1512451171875	164.0
1724.7708740234375	152.0
1725.052001953125	160.0
1727.491455078125	140.0
1727.822265625	164.0
1728.42626953125	144.0
1728.7159423828125	152.0
1729.5103759765625	144.0
1731.68798828125	220.0
1736.735595703125	180.0
1737.04248046875	156.0
1739.772705078125	176.0
1740.187744140625	160.0
1746.74462890625	144.0
1748.3255615234375	188.0
1748.5335693359375	152.0
1752.9305419921875	140.0
1755.74267578125	148.0
1757.8839111328125	236.0
1757.96728515625	160.0
1760.7178955078125	116.0
1762.6671142578125	224.0
1763.4681396484375	128.0
1763.5377197265625	180.0
1765.0106201171875	176.0
1766.5228271484375	248.0
1767.3929443359375	172.0
1769.2593994140625	200.0
1774.4033203125	144.0
1775.6024169921875	144.0
1775.66943359375	176.0
1776.952880859375	144.0
1778.706787109375	140.0
1781.0411376953125	156.0
1781.11669921875	252.0
1783.3265380859375	160.0
1786.075927734375	164.0
1787.968994140625	144.0
1788.499267578125	224.0
1789.7620849609375	192.0
1793.91552734375	148.0
1794.5562744140625	152.0
1795.945068359375	176.0
1796.369384765625	220.0
1797.3011474609375	188.0
1797.8480224609375	196.0
1798.791259765625	156.0
1799.2218017578125	152.0
1799.4581298828125	156.0
1800.4239501953125	200.0
1802.4481201171875	164.0
1803.2255859375	168.0
1805.1700439453125	152.0
1805.34765625	168.0
1809.26513671875	144.0
1809.578369140625	144.0
1810.5352783203125	152.0
1810.6453857421875	140.0
1812.0599365234375	148.0
1814.671875	112.0
1814.8992919921875	152.0
1815.36572265625	180.0
1818.3009033203125	168.0
1819.94775390625	176.0
1822.0965576171875	152.0
1824.7362060546875	168.0
1825.97265625	204.0
1827.90380859375	176.0
1829.163330078125	196.0
1830.8321533203125	188.0
1832.33984375	168.0
1833.56689453125	148.0
1835.0244140625	260.0
1835.2291259765625	256.0
1836.0220947265625	160.0
1837.369873046875	172.0
1838.376708984375	164.0
1839.119140625	164.0
1839.349609375	144.0
1839.9130859375	148.0
1840.109375	188.0
1841.5439453125	140.0
1844.5687255859375	144.0
1845.0218505859375	192.0
1848.9136962890625	208.0
1849.6668701171875	140.0
1849.86376953125	144.0
1850.9595947265625	172.0
1851.3106689453125	156.0
1852.3555908203125	176.0
1853.1009521484375	268.0
1854.7548828125	212.0
1856.64111328125	148.0
1857.43017578125	220.0
1858.416748046875	216.0
1860.2532958984375	144.0
1860.65673828125	208.0
1861.120361328125	144.0
1865.6824951171875	156.0
1865.8544921875	184.0
1866.53369140625	180.0
1871.5242919921875	168.0
1872.15283203125	148.0
1874.6339111328125	148.0
1877.6080322265625	140.0
1878.841552734375	144.0
1879.7474365234375	180.0
1880.6363525390625	156.0
1881.326904296875	140.0
1881.5859375	164.0
1882.0003662109375	184.0
1882.9415283203125	220.0
1883.269775390625	164.0
1885.3173828125	152.0
1887.132568359375	148.0
1887.6513671875	180.0
1887.7464599609375	160.0
1890.3502197265625	148.0
1890.4541015625	152.0
1890.6964111328125	192.0
1890.7742919921875	172.0
1891.319580078125	204.0
1892.4796142578125	168.0
1892.8056640625	208.0
1894.9913330078125	176.0
1899.346923828125	156.0
1902.154541015625	148.0
1902.52783203125	144.0
1904.9854736328125	192.0
1905.1939697265625	180.0
1905.316650390625	128.0
1905.974365234375	164.0
1907.0186767578125	192.0
1907.1578369140625	144.0
1907.366455078125	212.0
1907.894287109375	164.0
1909.0008544921875	188.0
1910.697021484375	168.0
1911.4365234375	192.0
1913.2991943359375	168.0
1913.7908935546875	268.0
1915.415283203125	176.0
1915.612060546875	216.0
1916.4171142578125	248.0
1917.4627685546875	176.0
1918.7353515625	176.0
1920.5927734375	188.0
1921.982666015625	156.0
1922.276611328125	212.0
1923.567138671875	144.0
1926.9217529296875	180.0
1931.347900390625	224.0
1931.6336669921875	152.0
1931.996337890625	252.0
1933.383544921875	156.0
1933.8037109375	168.0
1934.7139892578125	172.0
1936.3426513671875	160.0
1936.9908447265625	224.0
1938.0595703125	152.0
1938.8658447265625	144.0
1939.7423095703125	180.0
1940.6190185546875	168.0
1941.4266357421875	152.0
1942.8115234375	156.0
1943.3115234375	140.0
1944.750732421875	180.0
1945.4002685546875	180.0
1947.094970703125	140.0
1949.5108642578125	276.0
1950.205078125	180.0
1952.315185546875	160.0
1952.403076171875	172.0
1953.4613037109375	180.0
1957.33984375	148.0
1959.1805419921875	148.0
1961.5157470703125	152.0
1961.8331298828125	156.0
1962.4503173828125	152.0
1963.654052734375	148.0
1964.169921875	176.0
1965.4490966796875	180.0
1966.55224609375	168.0
1967.841064453125	192.0
1967.9664306640625	120.0
1968.9713134765625	208.0
1969.6514892578125	224.0
1969.9075927734375	216.0
1969.987060546875	184.0
1970.7557373046875	140.0
1971.8603515625	164.0
1972.114990234375	216.0
1974.2296142578125	184.0
1975.3970947265625	164.0
1975.892578125	144.0
1977.69775390625	200.0
1978.5120849609375	176.0
1982.92333984375	216.0
1983.4373779296875	156.0
1985.0421142578125	148.0
1985.7958984375	200.0
1986.07080078125	140.0
1986.8426513671875	240.0
1988.182373046875	168.0
1990.7568359375	200.0
1995.04833984375	212.0
1995.2794189453125	156.0
1997.06689453125	168.0
1999.9229736328125	172.0
2000.6795654296875	196.0
2001.4007568359375	176.0
2002.24755859375	172.0
2002.61181640625	156.0
2003.140380859375	132.0
2003.324462890625	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078935
PEPMASS=267.129028
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Viramune [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12
INCHI=InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
INCHIAUX=NQDJXKOVJZTUJA-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078935
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078935
SCANS=1102
44.962215423583984	144.0
44.97289276123047	192.0
45.10542678833008	144.0
45.139892578125	176.0
45.22016143798828	156.0
45.321937561035156	144.0
45.397003173828125	144.0
45.552696228027344	156.0
45.665096282958984	148.0
45.71538162231445	168.0
45.75979995727539	144.0
45.854095458984375	208.0
45.9215087890625	224.0
46.178192138671875	164.0
46.5019416809082	148.0
46.91273498535156	200.0
46.948184967041016	220.0
47.2076530456543	168.0
47.34313201904297	144.0
47.35615158081055	252.0
47.638023376464844	148.0
47.77549362182617	216.0
47.812644958496094	160.0
47.83742141723633	228.0
47.94898986816406	168.0
48.32044219970703	168.0
48.57950973510742	196.0
48.59476852416992	164.0
48.88517761230469	148.0
49.04673385620117	184.0
49.572235107421875	212.0
49.617088317871094	208.0
49.66476821899414	140.0
49.88100814819336	200.0
49.89225387573242	168.0
49.91756057739258	156.0
50.145626068115234	148.0
50.29231262207031	160.0
50.37986373901367	208.0
50.39419937133789	108.0
50.41236114501953	164.0
50.4561767578125	164.0
50.5000114440918	220.0
50.623226165771484	132.0
50.661380767822266	168.0
50.74837112426758	176.0
50.787540435791016	152.0
50.88829803466797	164.0
50.92522048950195	244.0
50.9934196472168	156.0
51.017120361328125	184.0
51.2424430847168	168.0
51.7537727355957	156.0
51.91712951660156	204.0
52.16120910644531	204.0
52.454864501953125	216.0
52.65686798095703	172.0
53.11735916137695	136.0
53.32477951049805	172.0
53.54587936401367	124.0
53.77044677734375	176.0
53.83468246459961	160.0
53.913570404052734	180.0
54.072566986083984	172.0
54.25021743774414	172.0
54.410125732421875	164.0
54.43508529663086	180.0
54.47473907470703	264.0
54.56627655029297	168.0
54.770408630371094	204.0
54.84992599487305	120.0
55.010765075683594	160.0
55.087554931640625	140.0
55.30936050415039	160.0
55.374507904052734	176.0
55.47526550292969	148.0
55.604312896728516	152.0
55.910465240478516	216.0
55.94023513793945	172.0
55.96107482910156	156.0
56.03821563720703	172.0
56.158992767333984	148.0
56.568695068359375	156.0
56.59115219116211	208.0
56.72598648071289	180.0
56.993125915527344	160.0
57.188629150390625	160.0
57.31814193725586	148.0
57.349788665771484	164.0
57.45987319946289	144.0
57.49306869506836	240.0
57.7756233215332	156.0
57.80891036987305	212.0
57.84523391723633	164.0
58.46216583251953	212.0
58.606109619140625	152.0
58.660972595214844	236.0
58.74056625366211	144.0
58.752471923828125	168.0
58.81909942626953	188.0
59.01822280883789	144.0
59.13142395019531	188.0
59.155914306640625	188.0
59.44098663330078	156.0
59.58070755004883	148.0
59.67292022705078	148.0
59.70828628540039	164.0
60.161895751953125	144.0
60.22769546508789	148.0
60.3374137878418	144.0
60.40545654296875	144.0
60.445430755615234	196.0
60.76797103881836	224.0
60.826942443847656	156.0
61.125343322753906	164.0
61.419795989990234	232.0
61.56026077270508	208.0
61.774383544921875	148.0
61.79315948486328	192.0
61.925655364990234	168.0
61.98261260986328	200.0
62.087642669677734	140.0
62.13313293457031	200.0
62.21944808959961	152.0
62.42842483520508	184.0
62.4771842956543	152.0
62.5333366394043	144.0
62.548587799072266	192.0
62.86636734008789	160.0
63.37236785888672	172.0
63.93449020385742	196.0
64.01090240478516	216.0
64.10169982910156	140.0
64.1501693725586	204.0
64.36968994140625	160.0
64.67344665527344	248.0
64.68399810791016	220.0
64.69995880126953	144.0
64.76470947265625	204.0
64.88008880615234	180.0
65.115966796875	156.0
65.1480941772461	144.0
65.37641143798828	168.0
65.69866180419922	144.0
66.17218780517578	184.0
66.3555908203125	160.0
66.39580535888672	152.0
66.53047943115234	152.0
67.16185760498047	176.0
67.37896728515625	156.0
67.39473724365234	208.0
67.53916931152344	156.0
67.78982543945312	156.0
67.83718872070312	176.0
67.94351196289062	144.0
68.31670379638672	144.0
68.3773422241211	192.0
68.51795196533203	148.0
68.59994506835938	160.0
68.70167541503906	180.0
68.93865966796875	184.0
69.29528045654297	232.0
69.35039520263672	144.0
69.72216033935547	196.0
69.92839050292969	160.0
70.26593780517578	140.0
70.340087890625	200.0
70.40019226074219	176.0
70.45698547363281	192.0
70.70947265625	148.0
71.15872192382812	180.0
71.2225341796875	176.0
71.3548812866211	164.0
71.4360122680664	152.0
71.5268783569336	212.0
72.37437438964844	236.0
72.4150161743164	156.0
72.52345275878906	156.0
73.03793334960938	164.0
73.13492584228516	180.0
73.16386413574219	216.0
73.23027038574219	156.0
73.30693817138672	196.0
73.32908630371094	144.0
73.3802261352539	184.0
73.52863311767578	144.0
73.59862518310547	140.0
73.79340362548828	148.0
74.14945983886719	164.0
74.41925048828125	144.0
74.45655059814453	212.0
74.50980377197266	204.0
74.70233917236328	192.0
75.02908325195312	128.0
75.11231994628906	168.0
75.18995666503906	164.0
75.2106704711914	184.0
75.43177032470703	144.0
75.60733795166016	136.0
75.64453887939453	156.0
76.02237701416016	156.0
76.05709075927734	188.0
76.10742950439453	140.0
76.37158203125	168.0
76.8663558959961	196.0
77.17377471923828	212.0
77.64313507080078	108.0
77.71675109863281	192.0
77.774658203125	164.0
77.86595916748047	156.0
77.89757537841797	152.0
78.02761840820312	184.0
78.26514434814453	148.0
78.39725494384766	148.0
78.8631820678711	172.0
78.89244842529297	136.0
79.05065155029297	140.0
79.24510192871094	132.0
79.32416534423828	172.0
79.40766906738281	192.0
79.45995330810547	164.0
79.57176208496094	160.0
79.7813949584961	188.0
79.91390991210938	204.0
80.00021362304688	140.0
80.21397399902344	160.0
80.24962615966797	216.0
80.31561279296875	244.0
80.41056060791016	184.0
80.83192443847656	156.0
81.1382064819336	180.0
81.27989959716797	168.0
81.64276123046875	180.0
81.71111297607422	148.0
82.10198974609375	160.0
82.1362533569336	240.0
82.230224609375	196.0
82.41427612304688	232.0
82.68733215332031	140.0
82.99710083007812	160.0
83.04414367675781	132.0
83.30824279785156	184.0
83.3456039428711	164.0
83.42375946044922	152.0
83.45648193359375	164.0
83.71092987060547	124.0
83.92989349365234	252.0
84.15614318847656	164.0
84.25293731689453	152.0
84.35344696044922	144.0
84.73733520507812	156.0
85.07734680175781	120.0
85.19273376464844	148.0
85.4869155883789	144.0
85.82585144042969	140.0
86.52239227294922	180.0
86.93754577636719	176.0
87.0285415649414	168.0
87.29239654541016	160.0
87.56037902832031	184.0
87.78773498535156	144.0
88.03032684326172	144.0
88.46221923828125	184.0
88.59143829345703	144.0
88.99653625488281	160.0
89.02845764160156	228.0
89.93404388427734	148.0
90.17391204833984	188.0
90.55040740966797	220.0
90.72852325439453	196.0
90.79489135742188	180.0
90.98084259033203	156.0
91.03717041015625	96.0
91.08491516113281	188.0
91.37042999267578	188.0
91.4275131225586	180.0
91.68389892578125	236.0
92.04222106933594	360.0
92.22282409667969	164.0
92.32200622558594	164.0
92.48868560791016	208.0
92.5633544921875	160.0
92.8508071899414	204.0
92.86614990234375	172.0
93.04520416259766	384.0
93.35780334472656	152.0
93.86039733886719	148.0
93.94048309326172	160.0
94.05978393554688	160.0
94.08806610107422	196.0
94.32373809814453	248.0
94.35273742675781	232.0
94.6468276977539	152.0
94.89483642578125	196.0
94.91809844970703	216.0
94.93749237060547	164.0
95.06746673583984	308.0
95.08687591552734	164.0
95.20211791992188	132.0
95.5882568359375	156.0
95.75957489013672	180.0
95.85987091064453	124.0
96.2744369506836	184.0
96.5773696899414	180.0
96.8141860961914	168.0
97.01860046386719	216.0
97.47723388671875	144.0
97.66793823242188	140.0
97.68563842773438	180.0
97.72105407714844	220.0
97.8233871459961	148.0
97.85488891601562	220.0
97.90805053710938	152.0
98.00969696044922	160.0
98.12480163574219	164.0
98.14451599121094	148.0
98.39311218261719	148.0
98.43655395507812	152.0
98.60051727294922	188.0
98.68156433105469	148.0
98.79666137695312	148.0
98.88333892822266	176.0
99.18378448486328	208.0
99.22459411621094	216.0
99.75439453125	156.0
100.22975158691406	160.0
100.57276916503906	144.0
100.62467193603516	300.0
100.8144302368164	180.0
100.82841491699219	156.0
101.10640716552734	176.0
101.57123565673828	228.0
101.96074676513672	140.0
101.98888397216797	168.0
102.21895599365234	140.0
102.90547943115234	144.0
103.01251220703125	140.0
103.03271484375	152.0
103.06875610351562	124.0
104.01486206054688	332.0
104.04240417480469	120.0
104.31549835205078	156.0
104.41919708251953	192.0
104.59417724609375	156.0
104.9996337890625	176.0
105.04399108886719	664.0
105.14652252197266	184.0
105.34049987792969	144.0
105.43856811523438	180.0
105.64713287353516	168.0
105.69828033447266	164.0
105.8333740234375	156.0
106.04840850830078	124.0
106.32329559326172	160.0
106.49370574951172	148.0
106.5704345703125	212.0
107.0242691040039	200.0
107.06096649169922	9788.0
107.116943359375	184.0
107.31657409667969	212.0
107.51875305175781	168.0
107.62313079833984	192.0
107.72960662841797	152.0
108.0054702758789	300.0
108.02729034423828	156.0
108.06629943847656	1908.0
108.2406234741211	152.0
108.33158874511719	148.0
108.35763549804688	160.0
108.54035949707031	164.0
108.65979766845703	164.0
108.74006652832031	176.0
108.92963409423828	108.0
109.00796508789062	164.0
109.07661437988281	888.0
109.12248229980469	172.0
109.38440704345703	148.0
109.63851165771484	176.0
109.6530990600586	216.0
109.93046569824219	188.0
110.30431365966797	172.0
110.3837661743164	160.0
110.61515808105469	140.0
110.64949035644531	184.0
111.62935638427734	148.0
111.65459442138672	164.0
111.79344177246094	192.0
111.86427307128906	208.0
112.04610443115234	140.0
112.14303588867188	192.0
112.2062759399414	176.0
112.50373840332031	336.0
112.73184967041016	140.0
112.75086975097656	180.0
112.77019500732422	120.0
113.08210754394531	168.0
113.23213958740234	224.0
113.4472427368164	204.0
113.59992980957031	148.0
113.8100357055664	168.0
113.89710235595703	212.0
114.00333404541016	164.0
114.20317840576172	148.0
114.2350845336914	140.0
114.38404083251953	164.0
114.5884780883789	156.0
114.62470245361328	316.0
114.6630630493164	192.0
114.69503021240234	160.0
114.72782135009766	152.0
114.75812530517578	172.0
114.86988067626953	168.0
114.99150848388672	208.0
115.06407928466797	156.0
115.28408813476562	276.0
115.350341796875	172.0
115.53639221191406	160.0
115.56548309326172	196.0
115.67120361328125	160.0
115.71928405761719	152.0
116.04991149902344	424.0
116.087158203125	140.0
116.24344635009766	196.0
116.34646606445312	156.0
116.769775390625	196.0
116.88594055175781	184.0
116.95911407470703	144.0
117.04121398925781	352.0
117.05997467041016	392.0
117.17230224609375	152.0
117.23263549804688	140.0
117.25849914550781	324.0
117.37059020996094	140.0
117.50863647460938	208.0
117.53236389160156	148.0
117.55825805664062	140.0
117.90897369384766	160.0
118.06424713134766	308.0
118.10918426513672	152.0
118.17408752441406	212.0
118.19355773925781	204.0
118.66584014892578	164.0
118.75897979736328	288.0
119.05912017822266	472.0
119.21707153320312	140.0
119.42005920410156	152.0
119.48668670654297	192.0
119.69430541992188	108.0
120.03993225097656	200.0
120.0630874633789	200.0
120.44586944580078	180.0
120.5026626586914	148.0
120.6578369140625	156.0
120.82623291015625	156.0
120.94440460205078	172.0
120.95972442626953	148.0
121.03912353515625	1036.0
121.07656860351562	656.0
121.21468353271484	108.0
121.30699920654297	96.0
121.39791107177734	228.0
121.48145294189453	180.0
121.52074432373047	172.0
122.07169342041016	208.0
122.30087280273438	212.0
122.34049987792969	172.0
122.47482299804688	144.0
122.51887512207031	180.0
123.02168273925781	188.0
123.05396270751953	536.0
123.0793685913086	432.0
123.18730163574219	168.0
123.51852416992188	152.0
123.6007308959961	160.0
123.78313446044922	308.0
124.06300354003906	464.0
124.2232894897461	180.0
124.32313537597656	156.0
124.37861633300781	212.0
124.40823364257812	176.0
124.53627014160156	164.0
124.59011840820312	132.0
124.62068176269531	236.0
124.77606201171875	180.0
124.84339141845703	188.0
125.07341766357422	448.0
125.48841857910156	156.0
125.80550384521484	144.0
125.97074890136719	156.0
126.04000854492188	220.0
126.08705139160156	152.0
126.81655883789062	216.0
126.88829040527344	160.0
127.04078674316406	164.0
127.0766830444336	168.0
127.15746307373047	140.0
127.77233123779297	164.0
127.86527252197266	124.0
128.01174926757812	296.0
128.04898071289062	216.0
128.16571044921875	136.0
128.60906982421875	156.0
129.0519561767578	160.0
129.2306365966797	148.0
129.44793701171875	164.0
129.66004943847656	168.0
129.9253692626953	180.0
130.06787109375	292.0
130.15768432617188	152.0
130.3394012451172	200.0
130.3689422607422	144.0
130.58946228027344	172.0
130.848876953125	212.0
130.9037628173828	184.0
131.02078247070312	128.0
131.06057739257812	3184.0
131.6309356689453	152.0
131.69717407226562	172.0
132.06802368164062	1068.0
132.1017608642578	144.0
132.35121154785156	164.0
132.62841796875	160.0
133.0399169921875	176.0
133.0758514404297	1808.0
133.39508056640625	228.0
133.5928497314453	192.0
134.04380798339844	120.0
134.070068359375	836.0
134.20001220703125	264.0
134.43612670898438	196.0
134.47767639160156	152.0
134.5723114013672	156.0
134.79637145996094	164.0
134.8587646484375	144.0
135.0552978515625	516.0
135.07345581054688	216.0
135.0885467529297	312.0
135.28257751464844	144.0
135.31446838378906	172.0
135.39675903320312	112.0
135.42562866210938	156.0
135.53451538085938	156.0
135.7941436767578	256.0
135.8428497314453	228.0
136.04010009765625	148.0
136.06332397460938	168.0
136.0859375	124.0
136.38194274902344	124.0
136.6792449951172	180.0
136.7164764404297	152.0
136.9236602783203	180.0
137.3646240234375	128.0
137.54385375976562	328.0
137.66526794433594	160.0
138.1654510498047	164.0
138.36672973632812	156.0
138.4935302734375	132.0
138.6899871826172	172.0
138.75328063964844	156.0
138.8330078125	164.0
139.26014709472656	148.0
139.41285705566406	140.0
139.93504333496094	152.0
140.0174560546875	264.0
140.07106018066406	212.0
140.18235778808594	176.0
140.27899169921875	200.0
140.31907653808594	188.0
140.9538116455078	156.0
141.00497436523438	164.0
141.04379272460938	164.0
141.11708068847656	140.0
141.5659637451172	176.0
142.05490112304688	316.0
142.07388305664062	184.0
142.17828369140625	244.0
142.29696655273438	156.0
142.39907836914062	152.0
142.4442138671875	200.0
142.55111694335938	156.0
142.78408813476562	160.0
143.02915954589844	168.0
143.0601806640625	2048.0
143.32208251953125	180.0
143.3753662109375	156.0
143.424560546875	160.0
143.45077514648438	164.0
143.61607360839844	232.0
144.06857299804688	4564.0
144.11135864257812	196.0
144.28871154785156	152.0
144.3389129638672	192.0
144.45285034179688	156.0
144.55899047851562	160.0
144.7840118408203	180.0
144.9580535888672	196.0
145.017578125	148.0
145.03880310058594	280.0
145.0759735107422	2580.0
145.15785217285156	196.0
145.43995666503906	156.0
145.6225128173828	132.0
145.67723083496094	140.0
146.03515625	264.0
146.07594299316406	564.0
146.18597412109375	160.0
146.24374389648438	200.0
146.43948364257812	172.0
146.7158660888672	160.0
146.92031860351562	100.0
146.9840087890625	152.0
147.00799560546875	176.0
147.091796875	2180.0
147.44419860839844	128.0
147.54490661621094	108.0
147.6212921142578	152.0
148.05189514160156	148.0
148.0919952392578	276.0
148.23858642578125	144.0
148.40460205078125	160.0
148.6678009033203	200.0
148.81101989746094	148.0
149.0174560546875	168.0
149.06996154785156	128.0
149.0977783203125	160.0
149.15597534179688	280.0
149.33834838867188	160.0
149.650634765625	168.0
149.67173767089844	168.0
150.0311737060547	164.0
150.06207275390625	316.0
150.42019653320312	160.0
150.44705200195312	188.0
150.5496063232422	180.0
150.60577392578125	200.0
150.6253204345703	152.0
150.74502563476562	228.0
151.0628662109375	180.0
151.4269256591797	136.0
151.4545135498047	140.0
151.8049774169922	180.0
151.9914093017578	152.0
152.02085876464844	156.0
152.11412048339844	140.0
152.4751739501953	200.0
152.73443603515625	384.0
153.0680389404297	156.0
153.1566925048828	148.0
153.25523376464844	172.0
153.49679565429688	152.0
153.88418579101562	156.0
153.97503662109375	196.0
154.0441131591797	200.0
154.0694122314453	204.0
154.88821411132812	280.0
155.06236267089844	560.0
155.10626220703125	172.0
155.1533660888672	196.0
155.25253295898438	192.0
155.7191162109375	192.0
155.9402313232422	164.0
156.0628662109375	576.0
156.27593994140625	160.0
156.68923950195312	164.0
156.71414184570312	180.0
156.83377075195312	140.0
156.9452667236328	160.0
156.99581909179688	156.0
157.0723419189453	804.0
157.83485412597656	140.0
157.9573974609375	236.0
158.07122802734375	720.0
158.50067138671875	168.0
158.57334899902344	180.0
158.6134490966797	140.0
158.929443359375	356.0
159.05511474609375	3792.0
159.25241088867188	144.0
159.4467315673828	140.0
159.7233123779297	176.0
160.0626983642578	8472.0
160.08583068847656	980.0
160.43809509277344	136.0
160.65281677246094	144.0
160.72598266601562	156.0
160.85470581054688	152.0
161.01727294921875	300.0
161.0707550048828	11532.0
161.48092651367188	128.0
161.56985473632812	188.0
161.67510986328125	160.0
161.884521484375	188.0
162.07362365722656	1076.0
162.10076904296875	392.0
162.17721557617188	136.0
162.30516052246094	100.0
162.44891357421875	292.0
162.5116424560547	176.0
162.73822021484375	156.0
162.86265563964844	300.0
163.04051208496094	168.0
163.08151245117188	284.0
163.26930236816406	156.0
163.462646484375	148.0
163.54153442382812	220.0
163.72483825683594	164.0
163.9796142578125	216.0
164.11471557617188	188.0
164.31475830078125	232.0
164.3672332763672	144.0
164.58419799804688	192.0
165.57638549804688	156.0
165.89410400390625	144.0
166.04795837402344	144.0
166.26983642578125	180.0
166.40206909179688	256.0
166.4508514404297	192.0
166.48167419433594	160.0
166.54586791992188	216.0
166.5792694091797	164.0
166.9365234375	192.0
167.02870178222656	168.0
167.05853271484375	368.0
167.20921325683594	148.0
167.28128051757812	180.0
167.29930114746094	140.0
167.5336456298828	236.0
167.5928955078125	176.0
167.6934051513672	168.0
167.7372283935547	236.0
167.8042449951172	176.0
167.85324096679688	144.0
168.06016540527344	244.0
168.37193298339844	184.0
168.4442596435547	144.0
169.0664520263672	528.0
169.90786743164062	188.0
169.93603515625	116.0
170.07167053222656	1580.0
170.33779907226562	156.0
170.43911743164062	164.0
170.47030639648438	156.0
170.59506225585938	236.0
171.08006286621094	1040.0
171.4800567626953	148.0
171.8900909423828	156.0
172.04554748535156	232.0
172.0877685546875	548.0
172.13485717773438	156.0
172.1609649658203	152.0
172.2967987060547	148.0
172.3473663330078	124.0
172.55552673339844	276.0
172.65489196777344	164.0
172.84323120117188	144.0
172.87986755371094	168.0
173.07144165039062	2108.0
173.51898193359375	160.0
173.71829223632812	192.0
174.07859802246094	792.0
174.37472534179688	168.0
175.07626342773438	136.0
175.48031616210938	168.0
176.06105041503906	284.0
176.12950134277344	152.0
176.3620147705078	236.0
176.38844299316406	188.0
176.57229614257812	128.0
176.62254333496094	140.0
176.71902465820312	236.0
177.38426208496094	164.0
177.5799560546875	148.0
177.7948455810547	188.0
178.35791015625	144.0
178.5972137451172	232.0
178.63511657714844	224.0
178.7389373779297	132.0
178.88465881347656	144.0
178.9112091064453	176.0
179.0429229736328	160.0
179.0614471435547	188.0
179.19618225097656	152.0
179.2974395751953	228.0
180.05908203125	188.0
180.1378936767578	164.0
180.8711700439453	160.0
180.95623779296875	156.0
181.07183837890625	616.0
181.2224884033203	156.0
181.32054138183594	180.0
181.49478149414062	204.0
181.85426330566406	208.0
181.92384338378906	164.0
181.9804229736328	144.0
182.0714569091797	4952.0
182.18453979492188	212.0
182.20870971679688	172.0
182.30667114257812	192.0
182.40283203125	152.0
182.5662078857422	156.0
182.59848022460938	140.0
183.00958251953125	212.0
183.0782012939453	4076.0
183.22122192382812	124.0
183.52212524414062	140.0
183.60302734375	244.0
183.98765563964844	116.0
184.0239715576172	160.0
184.08726501464844	18276.0
184.22471618652344	364.0
184.3345947265625	156.0
184.42721557617188	104.0
184.7590789794922	152.0
184.88084411621094	168.0
185.0664520263672	856.0
185.08998107910156	3100.0
185.1474609375	232.0
185.37098693847656	148.0
185.529052734375	164.0
185.86993408203125	188.0
185.89645385742188	160.0
186.0683135986328	280.0
186.12466430664062	156.0
186.18710327148438	148.0
186.24661254882812	132.0
187.0625762939453	776.0
187.09576416015625	548.0
187.324462890625	212.0
187.35398864746094	200.0
187.62966918945312	156.0
187.8232879638672	140.0
187.89967346191406	208.0
188.03173828125	140.0
188.08282470703125	476.0
188.29246520996094	160.0
188.9159393310547	144.0
188.99801635742188	180.0
189.06642150878906	144.0
189.0870361328125	196.0
189.12937927246094	172.0
189.21304321289062	120.0
189.25537109375	152.0
189.45494079589844	164.0
189.75331115722656	172.0
189.98135375976562	152.0
190.13796997070312	228.0
190.30267333984375	140.0
190.38780212402344	248.0
190.57566833496094	152.0
190.8824462890625	200.0
191.0802001953125	408.0
191.1489715576172	184.0
191.26760864257812	180.0
192.0115203857422	160.0
192.05445861816406	204.0
192.60096740722656	148.0
193.06590270996094	216.0
193.1688232421875	180.0
193.3090057373047	168.0
193.38629150390625	148.0
193.75015258789062	172.0
193.951904296875	204.0
194.07118225097656	304.0
194.1631622314453	152.0
194.46835327148438	172.0
194.72933959960938	188.0
194.76266479492188	180.0
194.78488159179688	196.0
195.0902099609375	572.0
195.44932556152344	184.0
195.55633544921875	184.0
196.052734375	376.0
196.08572387695312	860.0
196.2682342529297	232.0
196.62062072753906	200.0
196.6936798095703	172.0
197.08285522460938	11164.0
197.334228515625	152.0
197.51939392089844	160.0
197.75442504882812	324.0
197.802001953125	160.0
197.8772735595703	176.0
198.00070190429688	128.0
198.09036254882812	37232.0
198.13674926757812	164.0
198.2501220703125	184.0
198.32579040527344	148.0
198.56024169921875	140.0
198.58023071289062	220.0
198.8264923095703	140.0
198.91815185546875	156.0
199.09169006347656	4648.0
199.26611328125	124.0
199.3513641357422	160.0
199.40573120117188	224.0
199.43167114257812	144.0
199.48875427246094	236.0
199.60484313964844	120.0
199.6284637451172	160.0
199.8394317626953	152.0
199.97732543945312	164.0
200.00546264648438	152.0
200.08132934570312	1632.0
200.30393981933594	144.0
200.48085021972656	260.0
200.6643829345703	212.0
200.7266845703125	192.0
200.938232421875	156.0
201.0859375	132.0
201.36904907226562	148.0
202.17767333984375	152.0
203.07394409179688	276.0
203.2242889404297	156.0
203.61602783203125	152.0
203.76089477539062	176.0
203.86033630371094	152.0
204.05361938476562	140.0
204.55580139160156	236.0
204.7365264892578	164.0
204.81912231445312	204.0
204.91883850097656	148.0
205.02426147460938	180.0
205.07501220703125	228.0
205.23805236816406	152.0
205.40631103515625	232.0
205.73448181152344	212.0
205.7784881591797	176.0
205.80300903320312	176.0
205.845458984375	132.0
206.0710906982422	464.0
206.13148498535156	148.0
206.272705078125	116.0
206.38302612304688	156.0
206.4430694580078	228.0
206.65414428710938	168.0
206.6614990234375	144.0
206.72341918945312	208.0
207.07948303222656	1644.0
207.21876525878906	148.0
207.25241088867188	124.0
207.4853057861328	300.0
207.6028594970703	220.0
207.6573486328125	184.0
207.8939208984375	104.0
207.95860290527344	168.0
208.04974365234375	144.0
208.0833740234375	1436.0
208.17967224121094	188.0
208.2960662841797	144.0
208.32040405273438	152.0
208.43792724609375	172.0
208.47268676757812	156.0
209.0589599609375	1644.0
209.08226013183594	1840.0
209.592041015625	184.0
209.6554412841797	144.0
209.77969360351562	180.0
209.94949340820312	244.0
210.0668182373047	9220.0
210.08950805664062	3672.0
210.2870330810547	140.0
210.4717254638672	172.0
210.4912872314453	192.0
210.58193969726562	256.0
210.63063049316406	172.0
210.69996643066406	164.0
210.95761108398438	128.0
211.07350158691406	4548.0
211.09632873535156	4788.0
211.17544555664062	140.0
211.32444763183594	188.0
211.82528686523438	156.0
212.0044708251953	104.0
212.08056640625	4520.0
212.10679626464844	1908.0
212.1904296875	148.0
212.2440185546875	132.0
212.30191040039062	116.0
212.48516845703125	128.0
212.5616912841797	168.0
212.7133026123047	100.0
212.8635711669922	164.0
212.94198608398438	144.0
213.08187866210938	324.0
213.11563110351562	380.0
213.1770782470703	204.0
213.35459899902344	144.0
213.46633911132812	176.0
213.75497436523438	116.0
214.09024047851562	188.0
214.66482543945312	160.0
214.9324493408203	160.0
215.06817626953125	156.0
215.10400390625	156.0
215.28346252441406	172.0
215.64865112304688	180.0
216.85743713378906	164.0
217.3711395263672	216.0
217.41172790527344	204.0
217.66275024414062	188.0
217.6876678466797	160.0
218.3341827392578	176.0
218.42242431640625	184.0
218.5037841796875	152.0
218.8344268798828	148.0
219.14939880371094	200.0
219.49737548828125	172.0
219.55198669433594	224.0
219.777587890625	144.0
219.86317443847656	140.0
220.0859375	424.0
220.1140899658203	132.0
220.2026824951172	180.0
220.283935546875	252.0
220.39071655273438	184.0
220.7384033203125	100.0
220.9031982421875	148.0
221.01858520507812	156.0
221.0481719970703	176.0
221.0889892578125	992.0
221.4063720703125	140.0
221.6226043701172	180.0
221.70706176757812	160.0
221.7292938232422	204.0
221.975341796875	168.0
222.06301879882812	248.0
222.1022491455078	2908.0
222.3009490966797	120.0
222.3520965576172	200.0
222.5510711669922	144.0
223.09765625	4772.0
223.23440551757812	236.0
223.3355255126953	140.0
223.57423400878906	120.0
223.6074676513672	160.0
224.10585021972656	4876.0
224.1590576171875	264.0
224.37179565429688	224.0
224.5623016357422	172.0
224.6319580078125	192.0
224.7117919921875	164.0
224.8627166748047	136.0
225.0279541015625	120.0
225.076904296875	10756.0
225.11199951171875	1060.0
225.17050170898438	144.0
225.20135498046875	180.0
225.24472045898438	256.0
225.38893127441406	112.0
225.55393981933594	184.0
225.6160430908203	284.0
225.70155334472656	140.0
225.81405639648438	156.0
225.8589324951172	184.0
225.8948211669922	168.0
225.939697265625	152.0
225.9709930419922	148.0
226.01657104492188	400.0
226.03646850585938	376.0
226.08609008789062	193116.0
226.25502014160156	152.0
226.34461975097656	228.0
226.3809814453125	168.0
226.4492645263672	328.0
226.46910095214844	324.0
226.57803344726562	744.0
226.67190551757812	276.0
226.7408905029297	144.0
226.7866668701172	124.0
226.81442260742188	164.0
226.8723907470703	132.0
226.9104461669922	116.0
226.96929931640625	104.0
227.09246826171875	97244.0
227.3147735595703	136.0
227.39186096191406	100.0
227.5264434814453	176.0
227.583251953125	152.0
227.60726928710938	236.0
227.66293334960938	200.0
227.68983459472656	112.0
227.7442626953125	96.0
227.7653350830078	236.0
227.80271911621094	160.0
227.92514038085938	388.0
227.9471893310547	96.0
227.98361206054688	180.0
228.0485382080078	112.0
228.0945281982422	10052.0
228.21421813964844	176.0
228.31497192382812	204.0
228.34988403320312	140.0
228.4107666015625	156.0
228.43760681152344	132.0
228.48007202148438	176.0
228.5559539794922	196.0
228.57852172851562	136.0
228.599365234375	148.0
228.6279754638672	128.0
228.6510467529297	192.0
228.69561767578125	184.0
228.72401428222656	128.0
228.75486755371094	192.0
228.78988647460938	132.0
228.81448364257812	156.0
228.89407348632812	148.0
228.91114807128906	112.0
228.9442596435547	216.0
229.0445098876953	152.0
229.09654235839844	964.0
229.15333557128906	108.0
229.29942321777344	108.0
229.33082580566406	156.0
229.46011352539062	224.0
229.48892211914062	228.0
229.5745849609375	196.0
229.6666717529297	184.0
229.7477569580078	180.0
229.78109741210938	96.0
229.96629333496094	168.0
230.08416748046875	336.0
230.3270721435547	232.0
230.6564483642578	156.0
230.76077270507812	140.0
230.89328002929688	112.0
231.07931518554688	172.0
231.3355712890625	240.0
231.53237915039062	176.0
232.0831298828125	208.0
232.12820434570312	188.0
232.21731567382812	224.0
232.7817840576172	152.0
233.08673095703125	768.0
233.36822509765625	144.0
233.51895141601562	176.0
233.99801635742188	172.0
234.09048461914062	1220.0
234.26296997070312	144.0
234.3269500732422	164.0
234.66525268554688	140.0
235.00685119628906	144.0
235.07583618164062	1308.0
235.18035888671875	172.0
235.6769256591797	104.0
235.95806884765625	200.0
236.0812530517578	1408.0
236.1279296875	340.0
236.9053955078125	144.0
236.97463989257812	192.0
237.0771026611328	8540.0
237.11172485351562	2140.0
237.3483123779297	108.0
237.58595275878906	176.0
238.0077667236328	136.0
238.08412170410156	5236.0
238.353515625	212.0
238.7623748779297	332.0
238.79620361328125	160.0
238.9530792236328	212.0
239.00726318359375	144.0
239.0928497314453	8128.0
239.12936401367188	6540.0
239.80661010742188	112.0
239.91603088378906	196.0
240.04652404785156	168.0
240.11073303222656	2268.0
240.4649200439453	116.0
240.92616271972656	180.0
241.1141357421875	504.0
241.30630493164062	144.0
241.6712646484375	144.0
241.8030242919922	132.0
242.06631469726562	256.0
242.34283447265625	168.0
242.71556091308594	180.0
242.79881286621094	180.0
243.02525329589844	200.0
243.06869506835938	208.0
243.0904083251953	200.0
243.23504638671875	156.0
243.92587280273438	176.0
244.28512573242188	196.0
244.39859008789062	160.0
244.79078674316406	144.0
244.90602111816406	156.0
245.36351013183594	188.0
246.33990478515625	196.0
246.4283447265625	188.0
246.6345977783203	140.0
246.78465270996094	168.0
247.09970092773438	164.0
248.0797119140625	456.0
248.1077117919922	672.0
248.4665069580078	156.0
248.57318115234375	140.0
248.71754455566406	148.0
248.9884796142578	164.0
249.11309814453125	9968.0
249.20811462402344	168.0
249.32057189941406	200.0
249.53431701660156	148.0
249.6663818359375	160.0
249.97467041015625	152.0
250.03131103515625	164.0
250.0983123779297	5568.0
250.2094268798828	116.0
250.29747009277344	124.0
250.64222717285156	152.0
250.72731018066406	144.0
250.971923828125	140.0
251.05311584472656	156.0
251.09353637695312	13600.0
251.19650268554688	216.0
251.33399963378906	112.0
251.57546997070312	124.0
251.6768035888672	156.0
251.7715301513672	152.0
251.901611328125	152.0
252.01071166992188	340.0
252.10049438476562	8744.0
252.30018615722656	244.0
252.3434600830078	156.0
252.80844116210938	152.0
253.00169372558594	140.0
253.10255432128906	2024.0
253.22315979003906	144.0
253.62940979003906	148.0
253.8379669189453	280.0
254.1027374267578	284.0
254.51382446289062	116.0
255.01776123046875	108.0
255.2443389892578	120.0
255.56272888183594	156.0
256.15362548828125	172.0
256.2695617675781	212.0
256.46588134765625	172.0
256.8370056152344	200.0
257.1014099121094	220.0
257.19659423828125	144.0
257.357177734375	176.0
257.52642822265625	160.0
257.6446228027344	192.0
257.7915344238281	180.0
257.91009521484375	164.0
258.10284423828125	208.0
258.248779296875	164.0
258.8959655761719	204.0
259.5137023925781	148.0
259.5521545410156	140.0
260.1048278808594	120.0
260.3030090332031	152.0
261.2833251953125	236.0
261.30584716796875	152.0
261.59869384765625	216.0
261.6952819824219	220.0
262.2042541503906	152.0
262.275146484375	140.0
262.3460693359375	148.0
262.3898620605469	96.0
262.4556884765625	196.0
262.510498046875	160.0
262.61474609375	148.0
263.0589904785156	144.0
263.08709716796875	132.0
263.6597595214844	176.0
264.1019287109375	196.0
264.17138671875	184.0
264.40679931640625	164.0
264.44415283203125	192.0
264.7998352050781	160.0
264.9767150878906	144.0
265.07318115234375	144.0
265.1087341308594	1952.0
265.21435546875	144.0
265.3929748535156	248.0
265.4499206542969	140.0
265.546875	180.0
265.64532470703125	132.0
265.8213195800781	320.0
265.9393005371094	100.0
266.0660705566406	228.0
266.114501953125	856.0
266.21856689453125	180.0
266.2671813964844	96.0
266.3016052246094	204.0
266.44915771484375	164.0
266.5150146484375	188.0
266.56732177734375	124.0
266.6166076660156	144.0
266.6834716796875	240.0
266.7060852050781	168.0
266.8043518066406	440.0
266.87799072265625	528.0
266.9188232421875	300.0
266.9562072753906	164.0
266.9916076660156	604.0
267.0282287597656	336.0
267.0791320800781	1236.0
267.0858459472656	524.0
267.12664794921875	298012.0
267.21728515625	100.0
267.25506591796875	196.0
267.2864685058594	116.0
267.34271240234375	372.0
267.3649597167969	368.0
267.4305725097656	660.0
267.46453857421875	292.0
267.5128479003906	368.0
267.6238708496094	976.0
267.6609802246094	12884.0
267.7040710449219	708.0
267.7883605957031	268.0
267.88360595703125	312.0
267.9176940917969	340.0
267.990234375	372.0
268.02496337890625	376.0
268.12799072265625	124928.0
268.226318359375	212.0
268.2433166503906	260.0
268.3511657714844	216.0
268.43780517578125	472.0
268.4779968261719	164.0
268.5230712890625	136.0
268.55328369140625	172.0
268.5914611816406	116.0
268.6215515136719	232.0
268.6638488769531	124.0
268.6891174316406	196.0
268.74786376953125	152.0
268.8346862792969	248.0
268.93212890625	136.0
268.9957275390625	176.0
269.03692626953125	96.0
269.0715026855469	124.0
269.12982177734375	9480.0
269.2504577636719	108.0
269.2850646972656	172.0
269.3298034667969	156.0
269.4443664550781	196.0
269.48138427734375	104.0
269.55487060546875	192.0
269.61688232421875	172.0
269.6581115722656	144.0
269.7064514160156	132.0
269.7547607421875	240.0
269.7896423339844	428.0
269.8335876464844	308.0
269.8912048339844	196.0
269.92034912109375	444.0
269.9590148925781	388.0
269.9764099121094	436.0
270.0078125	336.0
270.0656433105469	280.0
270.1343688964844	840.0
270.16802978515625	324.0
270.2046203613281	148.0
270.2638244628906	160.0
270.3489685058594	124.0
270.47259521484375	168.0
270.521484375	260.0
270.7281494140625	164.0
270.7616271972656	128.0
270.8344421386719	108.0
270.9370422363281	188.0
271.0224914550781	112.0
271.0658874511719	156.0
271.3680419921875	144.0
271.4369201660156	152.0
272.12359619140625	124.0
274.7352294921875	164.0
279.1302185058594	156.0
279.2125244140625	132.0
280.0010681152344	140.0
284.251708984375	144.0
284.72503662109375	192.0
285.1174621582031	168.0
286.32586669921875	140.0
292.7502136230469	148.0
295.3486633300781	100.0
378.7633056640625	136.0
385.0183410644531	160.0
490.1968994140625	160.0
629.8573608398438	184.0
656.9967041015625	152.0
761.037353515625	196.0
839.19482421875	188.0
878.5935668945312	212.0
984.0974731445312	104.0
1267.69287109375	204.0
1291.9295654296875	192.0
1386.66162109375	148.0
1401.9561767578125	188.0
1418.90869140625	164.0
1426.9268798828125	152.0
1468.332763671875	184.0
1494.9783935546875	236.0
1535.2618408203125	172.0
1535.6361083984375	148.0
1546.699951171875	152.0
1555.5576171875	188.0
1568.213623046875	140.0
1570.33447265625	140.0
1571.4940185546875	200.0
1576.1446533203125	232.0
1584.6265869140625	192.0
1591.328369140625	188.0
1608.4920654296875	168.0
1623.637939453125	156.0
1624.2315673828125	188.0
1624.7769775390625	176.0
1628.6541748046875	176.0
1632.8497314453125	204.0
1650.2352294921875	260.0
1654.9765625	168.0
1679.64404296875	188.0
1680.4246826171875	140.0
1687.8328857421875	156.0
1692.0546875	156.0
1694.765625	140.0
1697.5279541015625	172.0
1702.0574951171875	188.0
1716.6717529296875	196.0
1718.626708984375	236.0
1718.9141845703125	132.0
1719.3115234375	140.0
1721.201904296875	152.0
1721.4332275390625	156.0
1726.540283203125	208.0
1729.6097412109375	156.0
1738.2205810546875	140.0
1742.8206787109375	192.0
1758.05908203125	148.0
1759.6700439453125	140.0
1760.2962646484375	152.0
1763.9139404296875	208.0
1770.800048828125	164.0
1776.399169921875	212.0
1785.4283447265625	176.0
1785.966552734375	160.0
1792.415283203125	144.0
1798.5042724609375	176.0
1798.8250732421875	148.0
1800.4798583984375	148.0
1804.754638671875	152.0
1805.812744140625	160.0
1814.6195068359375	140.0
1816.5106201171875	204.0
1821.0601806640625	144.0
1821.986083984375	200.0
1844.6029052734375	204.0
1859.4893798828125	172.0
1861.060302734375	168.0
1867.6517333984375	164.0
1868.0645751953125	176.0
1868.4947509765625	152.0
1875.6767578125	164.0
1877.5218505859375	156.0
1884.332275390625	152.0
1892.228515625	196.0
1897.4620361328125	156.0
1899.317138671875	204.0
1904.54248046875	224.0
1906.6710205078125	184.0
1916.1644287109375	212.0
1916.765625	208.0
1917.27099609375	216.0
1917.593505859375	152.0
1917.8114013671875	164.0
1922.4337158203125	140.0
1944.3118896484375	144.0
1946.6295166015625	168.0
1954.00390625	152.0
1957.7183837890625	196.0
1960.854736328125	180.0
1962.9881591796875	152.0
1963.16455078125	176.0
1965.3167724609375	180.0
1966.4375	140.0
1967.2054443359375	200.0
1977.9898681640625	180.0
1979.158447265625	180.0
1982.8790283203125	164.0
1988.66162109375	164.0
1994.0972900390625	156.0
1995.7239990234375	208.0
1997.129150390625	232.0
1997.7606201171875	204.0
2001.9794921875	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078936
PEPMASS=677.250488
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=38.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ICARIIN [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccc(cc1)c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O
INCHI=InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1
INCHIAUX=TZJALUIVHRYQQB-XLRXWWTNSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078936
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078936
SCANS=1128
60.27103805541992	180.0
69.76713562011719	176.0
74.65257263183594	152.0
77.10221862792969	176.0
78.92340087890625	160.0
79.80462646484375	156.0
95.25593566894531	184.0
99.0418701171875	324.0
103.7918472290039	176.0
108.12055206298828	140.0
111.05660247802734	196.0
112.03362274169922	156.0
113.81231689453125	248.0
117.85455322265625	144.0
118.49251556396484	180.0
118.86978912353516	160.0
129.0548858642578	2916.0
129.48887634277344	144.0
130.05812072753906	352.0
132.82809448242188	220.0
137.69581604003906	172.0
138.50274658203125	144.0
139.35195922851562	164.0
141.39877319335938	140.0
143.59881591796875	144.0
147.0650634765625	1068.0
147.74002075195312	172.0
152.79258728027344	200.0
153.1273651123047	156.0
155.0742645263672	144.0
159.0802459716797	192.0
164.67636108398438	140.0
165.00856018066406	156.0
166.3791961669922	152.0
166.55125427246094	236.0
177.99685668945312	200.0
179.1617889404297	168.0
179.80706787109375	224.0
183.4334259033203	148.0
183.5897979736328	184.0
187.341064453125	156.0
192.06419372558594	216.0
192.3677215576172	172.0
193.07505798339844	196.0
193.73104858398438	152.0
199.72438049316406	184.0
204.36392211914062	152.0
206.08035278320312	188.0
210.16036987304688	256.0
215.06773376464844	140.0
215.13194274902344	148.0
222.49191284179688	148.0
222.56614685058594	140.0
223.61849975585938	144.0
224.0055694580078	184.0
234.5253448486328	160.0
237.0865020751953	176.0
238.40609741210938	140.0
240.45098876953125	152.0
243.06593322753906	248.0
246.10386657714844	236.0
248.20652770996094	176.0
264.0807189941406	292.0
264.99005126953125	168.0
266.394775390625	260.0
272.0672302246094	152.0
274.6042175292969	164.0
278.0217590332031	180.0
278.38031005859375	256.0
280.3829650878906	164.0
283.4372863769531	200.0
285.82135009765625	164.0
290.06317138671875	168.0
293.3707580566406	228.0
296.18487548828125	380.0
297.1873779296875	132.0
298.04119873046875	220.0
301.0689697265625	760.0
302.0748291015625	296.0
302.2224426269531	196.0
305.9384765625	148.0
307.3046569824219	152.0
308.56195068359375	160.0
312.43023681640625	164.0
312.90533447265625	144.0
313.071533203125	29408.0
313.37994384765625	196.0
313.5746154785156	192.0
313.63214111328125	96.0
314.0740051269531	3972.0
314.32806396484375	136.0
314.4117736816406	140.0
315.07623291015625	920.0
315.3287048339844	148.0
316.02264404296875	100.0
316.08673095703125	160.0
319.32794189453125	236.0
322.05096435546875	172.0
325.0725402832031	140.0
330.7669982910156	164.0
333.8509216308594	152.0
337.43890380859375	144.0
337.8704528808594	144.0
338.1997985839844	168.0
339.07879638671875	144.0
339.6911315917969	148.0
339.8378601074219	160.0
340.0433654785156	144.0
343.0779724121094	152.0
344.09442138671875	324.0
346.0648193359375	144.0
347.9205322265625	140.0
349.79412841796875	152.0
352.9296569824219	208.0
353.167236328125	140.0
353.5189208984375	144.0
353.9906005859375	200.0
354.1029357910156	140.0
358.1028747558594	140.0
358.8904724121094	160.0
360.9823303222656	188.0
362.18963623046875	220.0
362.469970703125	160.0
363.9872741699219	152.0
366.7225341796875	176.0
366.8940734863281	208.0
367.1116027832031	260.0
368.00189208984375	108.0
368.1837463378906	184.0
368.31964111328125	124.0
368.4931640625	156.0
368.6421813964844	176.0
368.73388671875	176.0
368.7996826171875	96.0
368.8294372558594	140.0
368.88909912109375	172.0
368.9349365234375	140.0
369.0253601074219	192.0
369.0783996582031	464.0
369.1344299316406	110144.0
369.2486877441406	248.0
369.31121826171875	124.0
369.4659423828125	116.0
369.65374755859375	164.0
369.715576171875	156.0
369.79498291015625	96.0
369.9945068359375	104.0
370.0576477050781	172.0
370.1370544433594	26788.0
370.3465576171875	140.0
370.67547607421875	136.0
370.76080322265625	168.0
370.8592529296875	128.0
371.1391906738281	3144.0
371.22039794921875	140.0
371.3470764160156	180.0
371.46954345703125	112.0
371.88330078125	156.0
372.0249938964844	164.0
372.13763427734375	672.0
372.1862487792969	272.0
372.308837890625	112.0
372.34478759765625	160.0
372.44561767578125	180.0
372.5015563964844	100.0
372.852783203125	108.0
373.0998229980469	180.0
373.1337585449219	116.0
373.4666748046875	108.0
374.6521301269531	108.0
375.2762756347656	112.0
380.6495666503906	168.0
384.0810241699219	340.0
387.72216796875	144.0
392.1908874511719	160.0
393.1413879394531	164.0
394.5435485839844	148.0
397.3990478515625	160.0
406.0606994628906	364.0
406.1050720214844	124.0
407.0787353515625	156.0
411.1042785644531	144.0
411.1478271484375	164.0
420.858642578125	148.0
423.1013488769531	180.0
447.1368103027344	244.0
448.1482849121094	348.0
449.1402893066406	172.0
457.1202697753906	120.0
459.158447265625	180.0
463.1180114746094	148.0
463.1475830078125	212.0
465.1043701171875	176.0
466.4715881347656	184.0
468.8474426269531	160.0
475.1282043457031	108.0
475.4919128417969	128.0
476.1272888183594	176.0
479.1822814941406	304.0
479.7882995605469	180.0
480.16717529296875	164.0
488.669677734375	140.0
494.4768371582031	172.0
496.00048828125	192.0
497.1878356933594	124.0
498.1837158203125	152.0
510.4435119628906	220.0
511.32525634765625	180.0
513.20166015625	244.0
515.1878051757812	436.0
515.2933959960938	172.0
517.1926879882812	140.0
519.7713623046875	172.0
526.0460205078125	216.0
527.6600952148438	168.0
528.268310546875	144.0
528.5291137695312	152.0
529.3930053710938	148.0
529.6769409179688	100.0
529.7870483398438	120.0
530.3181762695312	108.0
530.586669921875	284.0
530.6851196289062	132.0
530.7465209960938	388.0
530.7830810546875	292.0
530.8435668945312	116.0
530.9550170898438	220.0
530.982666015625	268.0
531.0364379882812	292.0
531.0850219726562	204.0
531.1873779296875	93060.0
531.3204345703125	168.0
531.35986328125	236.0
531.4005126953125	268.0
531.5839233398438	252.0
531.6332397460938	124.0
531.6664428710938	188.0
531.8759765625	140.0
531.9371337890625	100.0
532.0274047851562	296.0
532.10009765625	140.0
532.1898193359375	26156.0
532.2648315429688	576.0
532.3269653320312	180.0
532.4285278320312	120.0
532.5277099609375	108.0
532.6292114257812	208.0
532.6854248046875	128.0
532.890380859375	132.0
532.9423828125	124.0
533.0128173828125	164.0
533.1917114257812	5384.0
533.3270263671875	124.0
533.7865600585938	156.0
534.19677734375	1348.0
534.339599609375	136.0
534.4129638671875	124.0
534.5444946289062	152.0
534.9495849609375	184.0
535.1931762695312	124.0
535.44091796875	168.0
535.5071411132812	148.0
535.7720336914062	112.0
535.8270874023438	156.0
535.9525756835938	148.0
536.239501953125	100.0
536.3831787109375	144.0
536.4418334960938	128.0
536.5319213867188	100.0
537.3831176757812	156.0
571.5962524414062	160.0
573.2001953125	152.0
609.1717529296875	152.0
624.0773315429688	152.0
642.2332763671875	96.0
643.2402954101562	140.0
675.311279296875	124.0
675.4241333007812	140.0
677.242919921875	2988.0
678.0750732421875	148.0
678.2496948242188	1316.0
679.253173828125	216.0
679.329833984375	308.0
680.2512817382812	112.0
681.4219970703125	180.0
1714.5472412109375	184.0
2001.928955078125	192.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078937
PEPMASS=281.121521
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=35212-22-7 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)Oc1ccc2c(=O)c(coc2c1)c3ccccc3
INCHI=InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
INCHIAUX=SFBODOKJTYAUCM-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078937
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078937
SCANS=2476
45.044979095458984	160.0
45.10983657836914	164.0
45.58626174926758	144.0
45.83655548095703	144.0
46.17404556274414	212.0
46.339195251464844	148.0
47.48408889770508	152.0
47.58993148803711	148.0
49.1917839050293	212.0
49.6605339050293	220.0
51.14700698852539	176.0
51.18971633911133	144.0
51.58778762817383	216.0
51.78095245361328	168.0
52.604862213134766	260.0
52.62651824951172	160.0
53.771881103515625	160.0
53.878475189208984	140.0
54.518123626708984	220.0
55.76320266723633	156.0
56.18609619140625	188.0
56.29057693481445	164.0
56.380210876464844	156.0
56.475894927978516	144.0
56.81293487548828	204.0
56.83393859863281	148.0
58.45267105102539	160.0
58.470054626464844	196.0
58.87800598144531	184.0
59.4317512512207	196.0
59.899112701416016	160.0
60.48279571533203	232.0
60.98237991333008	132.0
61.07009506225586	152.0
61.19535827636719	148.0
61.60239791870117	188.0
61.79625701904297	156.0
61.926185607910156	200.0
62.17076110839844	156.0
62.50862121582031	164.0
62.69129180908203	160.0
63.065330505371094	152.0
63.93605041503906	184.0
64.26909637451172	140.0
64.31857299804688	180.0
64.5454330444336	176.0
65.05331420898438	180.0
65.11593627929688	188.0
65.35867309570312	148.0
65.5357894897461	208.0
65.57929992675781	140.0
65.71475982666016	176.0
65.77770233154297	216.0
66.01358032226562	168.0
66.16567993164062	180.0
66.47222900390625	152.0
66.84901428222656	172.0
66.93692016601562	216.0
67.77513122558594	156.0
68.2015609741211	164.0
68.4598617553711	152.0
68.99115753173828	180.0
69.05399322509766	204.0
69.42662048339844	176.0
70.11988830566406	152.0
70.28418731689453	152.0
70.85344696044922	196.0
71.0965805053711	232.0
71.10832214355469	152.0
72.60140991210938	156.0
73.85664367675781	196.0
74.07060241699219	212.0
74.19912719726562	140.0
74.22142028808594	140.0
74.461669921875	200.0
74.4905776977539	260.0
74.752197265625	152.0
74.77457427978516	216.0
75.34014892578125	152.0
75.7657241821289	232.0
76.04280090332031	208.0
76.11087036132812	172.0
76.25852966308594	180.0
76.57170104980469	228.0
77.0409164428711	176.0
77.21570587158203	148.0
77.34693145751953	168.0
77.37669372558594	160.0
77.84800720214844	200.0
78.55766296386719	176.0
78.8525390625	156.0
79.43685150146484	188.0
80.40121459960938	148.0
80.54762268066406	180.0
82.4377212524414	352.0
82.70901489257812	152.0
83.64200592041016	144.0
83.98820495605469	152.0
84.16705322265625	156.0
85.23678588867188	180.0
85.28824615478516	148.0
85.43903350830078	196.0
86.49272918701172	140.0
86.91898345947266	224.0
87.20126342773438	188.0
87.33604431152344	220.0
88.03215026855469	172.0
88.1348876953125	216.0
89.01338958740234	212.0
89.51923370361328	156.0
90.73037719726562	180.0
91.04534912109375	184.0
91.92102813720703	172.0
92.32792663574219	140.0
92.43696594238281	176.0
93.17707824707031	200.0
93.77745056152344	184.0
93.8487777709961	156.0
94.76105499267578	160.0
95.72252655029297	172.0
95.93294525146484	188.0
96.00703430175781	176.0
96.14163970947266	180.0
96.34861755371094	152.0
96.82001495361328	180.0
96.87681579589844	192.0
97.09046173095703	188.0
97.64231872558594	172.0
97.75642395019531	168.0
98.0143814086914	160.0
99.27951049804688	140.0
99.36083984375	216.0
100.04248809814453	172.0
102.59272003173828	144.0
102.87312316894531	208.0
102.99024200439453	180.0
103.05194091796875	360.0
103.22063446044922	148.0
103.56062316894531	144.0
103.85248565673828	180.0
103.97016143798828	212.0
104.02699279785156	144.0
104.82630157470703	144.0
104.93228912353516	148.0
105.0339126586914	280.0
105.0587387084961	204.0
105.11790466308594	140.0
105.68390655517578	156.0
105.73711395263672	220.0
106.1321029663086	176.0
107.11483001708984	176.0
107.39103698730469	140.0
108.05938720703125	140.0
108.23833465576172	160.0
108.37504577636719	144.0
108.66531372070312	200.0
108.9455795288086	204.0
109.33232116699219	252.0
109.51761627197266	208.0
110.84698486328125	164.0
111.00772857666016	160.0
111.7723388671875	208.0
112.0439453125	168.0
112.48046875	140.0
113.27130126953125	156.0
113.58290100097656	180.0
113.92891693115234	208.0
114.09467315673828	216.0
114.15208435058594	196.0
115.24983978271484	152.0
115.69683837890625	148.0
116.0760726928711	212.0
116.3915023803711	192.0
117.00641632080078	172.0
117.05809020996094	168.0
117.23042297363281	164.0
117.2843017578125	200.0
117.40503692626953	176.0
117.75897979736328	140.0
118.0308609008789	168.0
118.42080688476562	208.0
118.79145812988281	140.0
119.08014678955078	152.0
119.61284637451172	180.0
119.90252685546875	172.0
120.0333251953125	192.0
120.13801574707031	208.0
120.53101348876953	200.0
121.03629302978516	192.0
121.4658432006836	176.0
121.59529876708984	164.0
121.91593170166016	160.0
122.27660369873047	184.0
122.41529846191406	188.0
122.43511199951172	296.0
123.22921752929688	204.0
123.44664001464844	132.0
123.94831085205078	148.0
124.16777801513672	148.0
124.29200744628906	160.0
124.8807144165039	180.0
124.99639129638672	172.0
125.13439178466797	180.0
125.20565032958984	192.0
125.57560729980469	220.0
125.86125183105469	180.0
126.58193969726562	200.0
127.05242919921875	116.0
127.12374114990234	176.0
127.77759552001953	216.0
128.06573486328125	420.0
129.0706329345703	468.0
129.13330078125	164.0
129.23509216308594	180.0
130.14852905273438	180.0
130.63943481445312	156.0
131.05674743652344	160.0
131.45738220214844	208.0
131.4824981689453	180.0
132.5962677001953	156.0
132.7269287109375	168.0
133.02914428710938	572.0
133.20199584960938	224.0
133.27781677246094	220.0
133.72854614257812	140.0
134.02560424804688	328.0
134.7847442626953	152.0
135.228759765625	196.0
135.76856994628906	156.0
136.93617248535156	152.0
137.02369689941406	3116.0
137.6605224609375	144.0
138.0240936279297	704.0
139.05728149414062	148.0
139.49505615234375	144.0
139.89024353027344	176.0
140.01632690429688	204.0
140.05743408203125	176.0
140.2364959716797	176.0
141.07077026367188	940.0
141.7869110107422	204.0
141.8817138671875	152.0
142.13162231445312	176.0
143.0841827392578	164.0
144.02099609375	164.0
144.3057403564453	180.0
144.32928466796875	140.0
144.4847412109375	232.0
145.02113342285156	140.0
145.1505889892578	268.0
145.47764587402344	164.0
147.1090087890625	148.0
147.1379852294922	184.0
147.29978942871094	152.0
148.54641723632812	164.0
148.68472290039062	188.0
149.83729553222656	148.0
150.35179138183594	176.0
151.2805938720703	168.0
152.0582733154297	608.0
152.38909912109375	160.0
152.83905029296875	164.0
153.0710906982422	2124.0
153.2453155517578	368.0
153.407958984375	184.0
154.07582092285156	1232.0
154.9674072265625	140.0
155.03182983398438	144.0
155.08590698242188	3560.0
155.18798828125	144.0
155.63568115234375	176.0
155.94229125976562	140.0
156.08627319335938	572.0
156.23605346679688	176.0
156.285888671875	140.0
157.5673370361328	164.0
158.64083862304688	176.0
159.2230682373047	140.0
159.70059204101562	172.0
159.72573852539062	176.0
159.76864624023438	148.0
160.11082458496094	156.0
160.24180603027344	188.0
160.50393676757812	156.0
160.70571899414062	188.0
161.10714721679688	164.0
161.9748077392578	212.0
162.1547088623047	184.0
163.03280639648438	228.0
164.47178649902344	172.0
164.65306091308594	172.0
164.89065551757812	204.0
165.0704803466797	9796.0
165.83763122558594	220.0
166.0732879638672	1332.0
166.31983947753906	148.0
166.7230682373047	184.0
167.07452392578125	292.0
167.13229370117188	144.0
167.15476989746094	164.0
167.56448364257812	148.0
168.05706787109375	716.0
168.8422088623047	144.0
169.06674194335938	420.0
169.15269470214844	140.0
169.34947204589844	196.0
169.6578369140625	140.0
169.8678741455078	244.0
170.4390411376953	152.0
170.52999877929688	208.0
170.77960205078125	180.0
170.83682250976562	148.0
171.07757568359375	248.0
171.14132690429688	168.0
171.83200073242188	200.0
172.0851593017578	152.0
172.1765594482422	176.0
172.57374572753906	152.0
172.9059600830078	140.0
173.073486328125	144.0
173.28041076660156	212.0
173.3957061767578	176.0
173.5634765625	228.0
173.79954528808594	144.0
174.04627990722656	140.0
174.1618194580078	176.0
175.2272186279297	144.0
175.70704650878906	144.0
176.1769561767578	160.0
176.3117218017578	148.0
176.5575714111328	220.0
176.618408203125	140.0
176.78773498535156	172.0
177.05775451660156	188.0
178.3445281982422	152.0
178.57318115234375	224.0
179.03627014160156	204.0
179.07887268066406	180.0
179.7693634033203	192.0
179.94020080566406	176.0
180.05767822265625	164.0
180.7200927734375	164.0
180.7768096923828	164.0
180.8865509033203	140.0
181.06546020507812	1584.0
181.47601318359375	124.0
182.07174682617188	652.0
182.81515502929688	164.0
182.83885192871094	124.0
183.0181884765625	228.0
183.08102416992188	20940.0
183.35874938964844	132.0
183.59860229492188	184.0
184.08457946777344	3780.0
184.5372314453125	144.0
185.08816528320312	360.0
185.23814392089844	236.0
185.39529418945312	160.0
185.7630615234375	168.0
186.2825164794922	176.0
188.63275146484375	168.0
189.67710876464844	168.0
190.29159545898438	156.0
190.67617797851562	156.0
190.82460021972656	160.0
190.8548583984375	140.0
191.03323364257812	144.0
192.84414672851562	192.0
193.0304412841797	140.0
193.07638549804688	2204.0
193.70297241210938	148.0
193.98838806152344	160.0
194.0768280029297	308.0
194.27032470703125	144.0
195.01263427734375	148.0
195.04367065429688	168.0
195.83062744140625	216.0
195.89468383789062	216.0
196.921142578125	196.0
197.0607147216797	372.0
197.79910278320312	160.0
197.84390258789062	168.0
198.06512451171875	200.0
198.28085327148438	180.0
199.17588806152344	144.0
199.30230712890625	200.0
199.69586181640625	164.0
200.04296875	212.0
200.56588745117188	156.0
201.43215942382812	152.0
201.86740112304688	140.0
202.15028381347656	180.0
202.3455810546875	176.0
202.48150634765625	240.0
202.8725128173828	144.0
202.98309326171875	144.0
203.3263397216797	172.0
204.04783630371094	208.0
204.12176513671875	216.0
204.35499572753906	176.0
204.9614715576172	156.0
205.04696655273438	140.0
205.06976318359375	148.0
205.2778778076172	168.0
206.36004638671875	144.0
207.1413116455078	180.0
207.31927490234375	144.0
208.04461669921875	148.0
209.10238647460938	144.0
209.3125457763672	144.0
209.3528594970703	160.0
210.06651306152344	148.0
211.07479858398438	1776.0
212.07443237304688	880.0
212.52096557617188	172.0
212.89541625976562	168.0
212.9825439453125	180.0
213.07550048828125	148.0
213.5435028076172	176.0
213.82862854003906	172.0
214.36477661132812	184.0
215.89120483398438	176.0
217.40281677246094	152.0
218.3399658203125	248.0
219.17303466796875	164.0
220.0814971923828	160.0
220.27346801757812	160.0
220.66946411132812	152.0
220.93719482421875	160.0
221.060546875	324.0
221.17074584960938	164.0
221.92481994628906	244.0
222.0653533935547	196.0
222.2421875	196.0
222.88088989257812	148.0
223.16888427734375	152.0
223.41275024414062	148.0
223.53549194335938	192.0
224.04586791992188	444.0
225.90667724609375	144.0
225.99044799804688	152.0
226.64016723632812	164.0
227.12583923339844	160.0
227.53695678710938	140.0
227.61801147460938	160.0
228.24301147460938	168.0
228.33924865722656	236.0
230.31039428710938	168.0
230.37986755371094	140.0
231.84481811523438	140.0
233.1370849609375	160.0
234.88165283203125	156.0
236.81031799316406	144.0
237.05001831054688	340.0
237.45394897460938	144.0
237.55516052246094	160.0
237.92584228515625	152.0
238.0042724609375	132.0
238.03395080566406	164.0
238.07583618164062	272.0
238.21514892578125	256.0
238.3165283203125	160.0
238.5354461669922	292.0
238.59654235839844	244.0
238.63681030273438	396.0
238.67189025878906	340.0
238.69900512695312	224.0
238.72174072265625	204.0
238.75918579101562	344.0
238.82286071777344	232.0
238.88555908203125	224.0
238.9717254638672	184.0
239.00741577148438	176.0
239.07180786132812	262068.0
239.148193359375	168.0
239.17489624023438	344.0
239.28150939941406	164.0
239.31324768066406	280.0
239.375	332.0
239.41891479492188	204.0
239.50469970703125	204.0
239.54403686523438	132.0
239.577392578125	1604.0
239.6669464111328	128.0
239.6941375732422	268.0
239.72906494140625	148.0
239.76571655273438	232.0
239.82752990722656	152.0
239.86065673828125	116.0
239.9112548828125	172.0
240.00733947753906	248.0
240.07452392578125	44104.0
240.23724365234375	144.0
240.2758331298828	192.0
240.33421325683594	172.0
240.41793823242188	104.0
240.4591522216797	204.0
240.6085968017578	136.0
240.89639282226562	172.0
241.0006866455078	100.0
241.0764923095703	3588.0
241.20831298828125	152.0
241.30752563476562	148.0
241.4381866455078	168.0
241.4706573486328	128.0
241.53335571289062	200.0
241.5817413330078	96.0
241.61697387695312	276.0
241.6821746826172	356.0
241.72509765625	280.0
241.77581787109375	164.0
241.8214874267578	148.0
241.90036010742188	116.0
241.93055725097656	132.0
241.96925354003906	100.0
242.00885009765625	112.0
242.04702758789062	164.0
242.08058166503906	448.0
242.35113525390625	116.0
242.5021514892578	104.0
242.55650329589844	108.0
242.90582275390625	188.0
242.9798583984375	168.0
243.0158233642578	144.0
244.6816864013672	164.0
245.4905242919922	164.0
245.70938110351562	180.0
246.73451232910156	208.0
247.40086364746094	168.0
248.76451110839844	156.0
251.0802764892578	216.0
253.37191772460938	180.0
254.24826049804688	116.0
255.61669921875	152.0
257.20538330078125	212.0
257.7754821777344	172.0
268.14154052734375	168.0
268.7317810058594	144.0
271.1843566894531	212.0
271.64996337890625	196.0
272.6908264160156	144.0
272.7138366699219	180.0
274.0103454589844	160.0
274.4190368652344	140.0
275.2130126953125	224.0
276.10308837890625	224.0
278.9744873046875	140.0
279.082275390625	100.0
279.1650390625	176.0
279.2089538574219	164.0
279.34027099609375	148.0
280.05712890625	224.0
280.10546875	224.0
280.1643981933594	120.0
280.2810974121094	196.0
280.4240417480469	116.0
280.4672546386719	264.0
280.59576416015625	168.0
280.6424560546875	180.0
280.6669921875	380.0
280.6913757324219	96.0
280.7607727050781	212.0
280.8088073730469	104.0
280.8819274902344	148.0
280.93994140625	240.0
281.0113220214844	160.0
281.0359191894531	408.0
281.1191711425781	158216.0
281.2448425292969	344.0
281.29290771484375	244.0
281.35888671875	124.0
281.4339904785156	152.0
281.4721374511719	128.0
281.5010070800781	152.0
281.66754150390625	2992.0
281.7032470703125	220.0
281.7579650878906	136.0
281.82537841796875	136.0
281.8736572265625	148.0
281.920654296875	208.0
281.96246337890625	100.0
282.0177001953125	116.0
282.06268310546875	140.0
282.1211853027344	34768.0
282.2801513671875	96.0
282.477294921875	112.0
282.5260925292969	112.0
282.6246643066406	128.0
282.7838439941406	116.0
282.8655090332031	280.0
283.03973388671875	136.0
283.1223449707031	4484.0
283.1701965332031	236.0
283.2357482910156	176.0
283.27044677734375	144.0
283.54046630859375	152.0
283.6058654785156	112.0
283.7668762207031	168.0
283.80615234375	236.0
283.86199951171875	252.0
283.9345703125	140.0
283.9736022949219	220.0
284.07550048828125	212.0
284.1211242675781	836.0
284.1870422363281	232.0
284.22320556640625	128.0
284.264892578125	200.0
285.2267761230469	108.0
297.6434326171875	144.0
297.7155456542969	152.0
301.190673828125	156.0
328.3167419433594	140.0
345.14483642578125	172.0
365.4080810546875	140.0
378.79498291015625	140.0
418.00457763671875	144.0
453.6555480957031	144.0
697.6060180664062	172.0
1119.5205078125	140.0
1239.3441162109375	168.0
1299.164306640625	160.0
1355.50244140625	272.0
1376.533203125	176.0
1381.9364013671875	260.0
1470.1783447265625	168.0
1503.40771484375	180.0
1575.7567138671875	176.0
1623.0438232421875	184.0
1649.9830322265625	180.0
1665.453369140625	236.0
1715.4588623046875	160.0
1718.19677734375	164.0
1731.1571044921875	192.0
1767.049072265625	172.0
1771.779296875	152.0
1791.1002197265625	176.0
1808.83251953125	180.0
1809.0526123046875	192.0
1881.77490234375	140.0
1906.55712890625	168.0
1925.6356201171875	156.0
1941.512451171875	140.0
1948.4554443359375	164.0
1966.0306396484375	152.0
1979.3699951171875	152.0
1980.9110107421875	168.0
1984.562255859375	228.0
1984.8992919921875	184.0
1995.1806640625	188.0
1999.0765380859375	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078938
PEPMASS=847.458435
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=41.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=RIFABUTIN [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c4c5=NC6(CCN(CC(C)C)CC6)N=c5c(NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)C)c(O)c4c(O)c3C
INCHI=InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,52-55H,16-19,21H2,1-11H3,(H,47,57)/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1
INCHIAUX=AZFBLLCNOQPJGJ-OZFKZPMASA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078938
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078938
SCANS=1387
44.9555549621582	140.0
45.55673599243164	140.0
46.02543258666992	144.0
46.7180061340332	176.0
47.27345657348633	212.0
47.75212097167969	176.0
47.827796936035156	156.0
47.84293746948242	144.0
48.189109802246094	196.0
48.25545120239258	200.0
48.671119689941406	184.0
49.01608657836914	140.0
49.13972473144531	256.0
50.44346618652344	144.0
50.467498779296875	152.0
50.6629638671875	168.0
50.90108871459961	164.0
51.28805923461914	148.0
51.412139892578125	144.0
51.92861557006836	164.0
52.648216247558594	152.0
52.766700744628906	196.0
52.989585876464844	160.0
53.05915069580078	208.0
53.98521423339844	216.0
54.16230773925781	224.0
54.764530181884766	200.0
55.07427215576172	196.0
55.281253814697266	152.0
55.522727966308594	184.0
55.593936920166016	192.0
56.11455154418945	140.0
56.32944869995117	212.0
57.03672409057617	148.0
57.37844467163086	204.0
58.541419982910156	344.0
58.56499099731445	168.0
58.81962966918945	176.0
58.96626281738281	148.0
59.14980697631836	232.0
59.169708251953125	148.0
59.48244094848633	176.0
60.17520523071289	148.0
60.41939163208008	168.0
61.457252502441406	180.0
61.521240234375	164.0
63.22827911376953	140.0
63.25835418701172	164.0
63.2852668762207	168.0
63.607383728027344	160.0
64.39845275878906	232.0
64.49911499023438	212.0
64.77273559570312	144.0
65.64544677734375	140.0
66.67180633544922	164.0
66.68643188476562	148.0
67.19776153564453	208.0
67.5146484375	156.0
67.7618179321289	140.0
68.09481811523438	160.0
68.19010925292969	172.0
68.22956085205078	196.0
68.24858856201172	152.0
69.83856201171875	164.0
70.33342742919922	188.0
70.44530487060547	244.0
70.51882934570312	168.0
70.63754272460938	196.0
70.80492401123047	184.0
70.88868713378906	196.0
71.58705139160156	176.0
71.68689727783203	200.0
71.93482971191406	196.0
72.1544418334961	168.0
73.28309631347656	188.0
73.36489868164062	240.0
73.8789291381836	212.0
73.90288543701172	140.0
74.08935546875	96.0
74.33983612060547	156.0
74.6266860961914	148.0
74.96234130859375	224.0
74.9939193725586	148.0
75.18479919433594	176.0
75.98942565917969	208.0
76.6362075805664	176.0
76.6867446899414	172.0
76.89429473876953	248.0
77.31023406982422	172.0
78.04873657226562	256.0
78.53655242919922	176.0
78.59542846679688	140.0
78.67948913574219	180.0
78.90562438964844	188.0
79.7903060913086	192.0
79.85431671142578	196.0
80.20984649658203	200.0
80.397705078125	176.0
80.8820571899414	188.0
81.20635986328125	164.0
82.03168487548828	148.0
82.66020965576172	148.0
83.06966400146484	140.0
84.11051940917969	152.0
84.94309997558594	156.0
84.95960998535156	152.0
85.29750061035156	204.0
85.5844955444336	184.0
85.83877563476562	144.0
86.37806701660156	148.0
86.80218505859375	168.0
87.30171203613281	156.0
87.55667114257812	168.0
88.20783996582031	160.0
89.05084228515625	176.0
89.37623596191406	148.0
90.46522521972656	148.0
90.88406372070312	184.0
90.96757507324219	204.0
90.99604797363281	196.0
91.05502319335938	272.0
92.05361938476562	160.0
92.54805755615234	156.0
93.07108306884766	496.0
93.6811752319336	180.0
94.07527923583984	196.0
94.37982940673828	172.0
94.45912170410156	244.0
94.6216812133789	216.0
95.04991149902344	1108.0
95.08540344238281	3096.0
95.1057357788086	252.0
96.05084991455078	160.0
96.09046173095703	672.0
96.37994384765625	144.0
96.65369415283203	148.0
96.75350952148438	180.0
96.8651351928711	148.0
97.06394958496094	704.0
97.3299331665039	176.0
97.44778442382812	156.0
98.07357025146484	180.0
98.09710693359375	132.0
98.23526000976562	148.0
98.25301361083984	196.0
99.04195404052734	156.0
99.08197021484375	172.0
99.36884307861328	152.0
99.47998046875	140.0
99.6209716796875	188.0
99.93708038330078	148.0
100.0306167602539	160.0
100.11243438720703	624.0
100.80445861816406	140.0
101.05943298339844	140.0
101.32868957519531	160.0
101.80809020996094	156.0
102.13770294189453	148.0
102.41748046875	160.0
102.59481048583984	144.0
103.05532836914062	156.0
103.07315063476562	140.0
103.5181655883789	156.0
103.60728454589844	204.0
103.75320434570312	144.0
104.19155883789062	152.0
105.06790924072266	1228.0
105.09757232666016	156.0
105.20370483398438	148.0
105.5694351196289	144.0
106.05669403076172	172.0
106.0730972290039	392.0
107.04660034179688	264.0
107.08515930175781	3528.0
107.11699676513672	160.0
107.7337646484375	148.0
108.05834197998047	140.0
108.08824920654297	412.0
108.38115692138672	140.0
108.79405975341797	140.0
109.06526184082031	2748.0
109.1020736694336	976.0
109.29150390625	184.0
109.6697998046875	164.0
110.0682601928711	480.0
110.09664916992188	216.0
110.90927124023438	168.0
111.02039337158203	140.0
111.04264068603516	448.0
111.08169555664062	900.0
111.11160278320312	152.0
112.06298828125	180.0
112.0842514038086	248.0
112.11272430419922	11612.0
112.1928482055664	136.0
112.36026000976562	180.0
112.5333251953125	156.0
112.82487487792969	204.0
113.0599365234375	440.0
113.11680603027344	924.0
113.49391174316406	172.0
113.84191131591797	156.0
114.12712097167969	304.0
115.05734252929688	156.0
115.15701293945312	236.0
115.77400207519531	224.0
115.86182403564453	208.0
115.95396423339844	152.0
116.07475280761719	196.0
116.32073211669922	208.0
116.66014099121094	172.0
117.02587890625	176.0
117.07228088378906	144.0
118.07359313964844	140.0
118.17627716064453	148.0
118.48033905029297	180.0
118.50321197509766	212.0
118.56969451904297	176.0
119.05199432373047	144.0
119.0860824584961	1760.0
119.11932373046875	152.0
120.08505249023438	276.0
121.06622314453125	1304.0
121.10073852539062	1736.0
121.15401458740234	108.0
121.82593536376953	140.0
122.0687026977539	184.0
122.11040496826172	128.0
122.59822845458984	268.0
122.62171173095703	168.0
122.70182037353516	168.0
122.74591827392578	164.0
122.8870849609375	176.0
123.0422134399414	296.0
123.08133697509766	9132.0
123.11711883544922	480.0
123.2742919921875	188.0
123.32559967041016	104.0
123.3442153930664	144.0
123.72248840332031	156.0
124.08316802978516	1036.0
124.72515869140625	152.0
125.0586929321289	408.0
125.09578704833984	2052.0
125.2725601196289	164.0
125.38744354248047	192.0
126.10176849365234	180.0
126.12503814697266	340.0
126.15849304199219	184.0
126.18084716796875	164.0
126.39556884765625	148.0
126.9241943359375	160.0
127.07389068603516	460.0
127.11288452148438	136.0
127.98700714111328	180.0
128.06353759765625	372.0
128.1483917236328	160.0
129.0497283935547	156.0
129.0681915283203	316.0
129.09913635253906	188.0
129.22840881347656	164.0
129.8309326171875	152.0
130.07669067382812	328.0
130.121826171875	840.0
130.16744995117188	168.0
131.0856475830078	424.0
131.12567138671875	104.0
131.2772674560547	164.0
131.65289306640625	160.0
132.0689239501953	144.0
132.08709716796875	216.0
132.26882934570312	184.0
132.77748107910156	168.0
133.0646514892578	960.0
133.10198974609375	1172.0
133.13778686523438	180.0
133.538818359375	104.0
134.06495666503906	136.0
134.10389709472656	488.0
134.13401794433594	172.0
134.1939697265625	140.0
134.2423858642578	220.0
135.0483856201172	148.0
135.08087158203125	4632.0
135.11668395996094	2692.0
135.27052307128906	144.0
135.4302978515625	180.0
135.9681854248047	148.0
135.99371337890625	152.0
136.03981018066406	144.0
136.0855255126953	824.0
136.1191864013672	336.0
136.17713928222656	144.0
136.78167724609375	180.0
136.86082458496094	148.0
137.06027221679688	508.0
137.0955810546875	2272.0
137.13172912597656	852.0
137.1566925048828	144.0
137.3009796142578	108.0
137.3911590576172	160.0
137.8404998779297	152.0
137.93397521972656	140.0
138.06773376464844	196.0
138.1008758544922	600.0
138.13107299804688	628.0
138.2608642578125	152.0
138.38314819335938	180.0
138.72283935546875	188.0
139.0754852294922	600.0
139.11077880859375	1036.0
139.88563537597656	144.0
140.07411193847656	148.0
140.12820434570312	212.0
140.40870666503906	168.0
141.06869506835938	112.0
141.09226989746094	344.0
142.07730102539062	376.0
142.52264404296875	148.0
142.5487823486328	168.0
143.00538635253906	144.0
143.085693359375	628.0
143.5223388671875	152.0
143.65350341796875	188.0
143.82958984375	136.0
144.09178161621094	188.0
144.11427307128906	204.0
144.52908325195312	96.0
145.06527709960938	404.0
145.1011199951172	4476.0
145.25755310058594	144.0
145.41937255859375	140.0
145.45057678222656	244.0
146.1031036376953	448.0
146.20526123046875	140.0
146.60984802246094	152.0
147.079345703125	1156.0
147.11680603027344	3560.0
147.52703857421875	180.0
147.97218322753906	180.0
148.0845947265625	276.0
148.12075805664062	664.0
149.0369415283203	164.0
149.06027221679688	588.0
149.09576416015625	1216.0
149.13259887695312	872.0
149.17332458496094	164.0
149.26620483398438	124.0
150.06405639648438	148.0
150.09979248046875	588.0
150.12989807128906	296.0
150.97332763671875	96.0
151.04296875	160.0
151.0757598876953	36356.0
151.1112823486328	808.0
151.18209838867188	192.0
152.07948303222656	4328.0
152.14988708496094	172.0
152.8736114501953	152.0
153.05084228515625	144.0
153.0911407470703	7188.0
153.13668823242188	692.0
153.71144104003906	200.0
153.8792724609375	152.0
154.04835510253906	128.0
154.09580993652344	1164.0
154.1426239013672	308.0
154.93283081054688	232.0
155.04928588867188	184.0
155.08509826660156	236.0
155.1066131591797	864.0
155.1757049560547	228.0
155.35426330566406	208.0
155.76004028320312	112.0
155.80360412597656	232.0
156.098876953125	316.0
156.8761749267578	220.0
157.103271484375	1576.0
157.31272888183594	152.0
158.103759765625	544.0
159.0796356201172	1004.0
159.1168212890625	1472.0
159.38897705078125	140.0
159.4342041015625	152.0
160.08428955078125	116.0
160.1198272705078	520.0
161.05421447753906	196.0
161.0961151123047	4452.0
161.1293182373047	704.0
161.547119140625	160.0
162.0990447998047	1128.0
162.1427764892578	160.0
162.5123748779297	180.0
162.7166290283203	168.0
163.07603454589844	448.0
163.11221313476562	14316.0
164.11593627929688	1836.0
164.2266845703125	188.0
164.31369018554688	140.0
164.97622680664062	112.0
165.0672607421875	112.0
165.09169006347656	416.0
165.127197265625	3380.0
166.06338500976562	144.0
166.09176635742188	368.0
166.12913513183594	176.0
167.0683135986328	324.0
167.10791015625	804.0
167.14053344726562	188.0
168.10833740234375	160.0
169.08872985839844	132.0
169.1605682373047	156.0
170.1096954345703	144.0
170.56651306152344	144.0
171.0798797607422	132.0
171.1177978515625	652.0
171.1804962158203	160.0
171.2934112548828	164.0
172.08651733398438	220.0
172.12966918945312	456.0
173.0594024658203	140.0
173.09617614746094	2980.0
173.1329345703125	2456.0
173.86373901367188	168.0
174.09910583496094	548.0
174.13668823242188	600.0
175.07286071777344	136.0
175.1119842529297	4876.0
175.14820861816406	676.0
175.4604949951172	128.0
176.0779266357422	128.0
176.11631774902344	920.0
176.1523895263672	228.0
176.3726348876953	156.0
176.62911987304688	176.0
177.090576171875	2816.0
177.12496948242188	1504.0
177.16773986816406	184.0
177.2260284423828	144.0
177.5959014892578	212.0
178.09280395507812	168.0
178.12582397460938	112.0
179.10733032226562	6220.0
179.1431884765625	300.0
180.1089324951172	444.0
181.0767822265625	164.0
181.1214141845703	1532.0
181.86715698242188	116.0
182.11627197265625	308.0
183.09585571289062	164.0
183.11788940429688	420.0
184.10977172851562	168.0
184.141845703125	132.0
185.0964813232422	300.0
185.13319396972656	1524.0
185.89439392089844	140.0
186.10244750976562	592.0
186.13638305664062	488.0
187.11233520507812	628.0
187.14659118652344	628.0
187.84242248535156	140.0
188.10546875	152.0
188.153076171875	292.0
189.09109497070312	872.0
189.1288604736328	1112.0
189.16500854492188	140.0
190.13287353515625	160.0
191.1078338623047	8220.0
191.1434783935547	604.0
192.1089630126953	1552.0
192.14422607421875	172.0
192.74400329589844	108.0
193.1210479736328	3388.0
193.1600799560547	360.0
194.0927734375	160.0
194.12693786621094	644.0
194.16517639160156	116.0
194.36016845703125	164.0
195.11929321289062	416.0
196.68116760253906	172.0
197.09507751464844	248.0
197.13400268554688	480.0
197.35443115234375	152.0
197.91683959960938	172.0
198.10548400878906	188.0
198.13839721679688	252.0
198.87278747558594	144.0
199.11244201660156	660.0
199.14871215820312	396.0
200.11851501464844	116.0
200.15318298339844	156.0
201.0900115966797	160.0
201.1273956298828	2292.0
201.1652374267578	236.0
202.1304168701172	264.0
203.10765075683594	448.0
203.143310546875	2536.0
203.34352111816406	184.0
204.11158752441406	276.0
204.1461944580078	456.0
205.121826171875	760.0
205.1609344482422	184.0
206.11387634277344	328.0
206.15110778808594	132.0
207.10269165039062	428.0
208.12310791015625	344.0
208.39227294921875	164.0
208.83209228515625	156.0
209.07044982910156	208.0
209.1204071044922	2048.0
210.12350463867188	388.0
210.70579528808594	148.0
211.13258361816406	1644.0
211.61053466796875	164.0
212.1243438720703	192.0
213.12652587890625	1068.0
213.1610870361328	312.0
214.1298828125	536.0
214.16664123535156	164.0
214.86611938476562	140.0
215.10116577148438	480.0
215.1434783935547	816.0
215.1913604736328	304.0
216.14735412597656	224.0
216.50299072265625	172.0
217.1241912841797	576.0
217.15725708007812	364.0
217.22506713867188	132.0
217.7141571044922	152.0
218.16165161132812	256.0
219.1022186279297	220.0
219.13722229003906	2120.0
219.16712951660156	204.0
219.21739196777344	180.0
220.14163208007812	480.0
220.269775390625	160.0
221.1152801513672	236.0
221.15444946289062	1264.0
221.19102478027344	144.0
221.23765563964844	148.0
221.56637573242188	156.0
221.85975646972656	180.0
222.111328125	120.0
222.15330505371094	304.0
222.18894958496094	156.0
223.1165313720703	440.0
223.14857482910156	400.0
223.7611083984375	148.0
224.13108825683594	164.0
224.15081787109375	200.0
224.46726989746094	148.0
225.12680053710938	244.0
225.16429138183594	768.0
226.17044067382812	172.0
227.1414031982422	816.0
227.17446899414062	152.0
228.13494873046875	144.0
229.1248779296875	148.0
229.15919494628906	496.0
230.1258087158203	136.0
230.4495086669922	216.0
231.13795471191406	1932.0
231.62632751464844	152.0
232.1399688720703	436.0
233.11474609375	304.0
233.15325927734375	220.0
233.19500732421875	144.0
233.66128540039062	132.0
234.14476013183594	192.0
235.1289520263672	132.0
235.1437530517578	144.0
235.20831298828125	200.0
236.15829467773438	300.0
236.20001220703125	372.0
237.1362762451172	376.0
237.20269775390625	164.0
238.10475158691406	188.0
238.13211059570312	128.0
239.1437530517578	572.0
240.14134216308594	132.0
241.12107849121094	392.0
241.15870666503906	608.0
241.192138671875	328.0
242.09046936035156	176.0
242.1578369140625	164.0
243.14242553710938	184.0
243.1744384765625	716.0
244.17816162109375	248.0
244.5557403564453	108.0
244.88739013671875	164.0
245.1177520751953	140.0
245.1587371826172	168.0
245.1982421875	160.0
245.7071990966797	152.0
246.1449737548828	280.0
247.1382598876953	112.0
248.74899291992188	168.0
249.1490936279297	1488.0
249.18247985839844	304.0
249.69158935546875	188.0
250.09117126464844	180.0
250.13143920898438	280.0
250.163818359375	144.0
251.14364624023438	228.0
251.18035888671875	568.0
252.08172607421875	140.0
252.1879119873047	124.0
253.11912536621094	160.0
253.1600799560547	1424.0
253.7936248779297	168.0
253.95852661132812	224.0
254.07272338867188	168.0
254.15528869628906	196.0
255.1375274658203	372.0
255.1752471923828	520.0
255.5755157470703	164.0
256.6712341308594	140.0
256.6967468261719	140.0
257.1512756347656	248.0
258.0825500488281	160.0
259.07147216796875	140.0
259.1727600097656	456.0
259.2028503417969	204.0
260.11688232421875	144.0
260.1724853515625	420.0
260.4989929199219	156.0
260.56646728515625	164.0
261.1626281738281	604.0
261.4764709472656	196.0
262.129150390625	124.0
262.5750732421875	148.0
263.5822448730469	140.0
264.15350341796875	308.0
264.2450866699219	160.0
266.1068115234375	160.0
267.099853515625	152.0
267.1697692871094	228.0
267.2151794433594	132.0
267.4414978027344	160.0
268.1008605957031	164.0
268.1762390136719	184.0
269.1408996582031	208.0
269.1899108886719	1036.0
270.1063537597656	140.0
270.1954345703125	260.0
271.16668701171875	1140.0
271.4140319824219	152.0
271.6839294433594	188.0
272.1812438964844	200.0
273.187744140625	396.0
275.1747741699219	156.0
275.201171875	176.0
276.47381591796875	168.0
277.1815185546875	388.0
277.8621826171875	180.0
279.05780029296875	140.0
279.09771728515625	172.0
279.17352294921875	1300.0
280.1003723144531	184.0
280.13397216796875	172.0
280.181396484375	284.0
281.0523681640625	100.0
281.1735534667969	432.0
282.07891845703125	116.0
282.1717834472656	164.0
282.3757629394531	192.0
283.16400146484375	120.0
284.1041564941406	148.0
285.10992431640625	168.0
285.18408203125	216.0
285.35479736328125	144.0
286.18939208984375	480.0
286.3091125488281	180.0
287.1669921875	432.0
287.1953430175781	864.0
288.1695861816406	408.0
288.20697021484375	336.0
288.556396484375	152.0
289.1781921386719	624.0
290.1868591308594	272.0
291.3557434082031	172.0
293.3328857421875	196.0
294.0649108886719	184.0
294.1212158203125	112.0
295.0705871582031	560.0
295.1115417480469	168.0
295.1629333496094	104.0
296.0767517089844	420.0
296.1675109863281	100.0
297.03277587890625	140.0
297.0856628417969	540.0
297.1852722167969	2236.0
298.0880432128906	412.0
298.18646240234375	404.0
299.10577392578125	164.0
299.1908874511719	184.0
299.3836364746094	184.0
299.8039245605469	148.0
300.10089111328125	160.0
301.84405517578125	144.0
302.65374755859375	140.0
302.8927001953125	184.0
306.07769775390625	268.0
307.0713806152344	2948.0
308.0782775878906	1772.0
308.977783203125	140.0
309.0855712890625	1116.0
310.085205078125	1712.0
310.4173278808594	148.0
311.091552734375	1220.0
312.0976257324219	1228.0
312.1856384277344	156.0
313.10552978515625	416.0
313.18408203125	208.0
314.1187744140625	120.0
314.2080993652344	252.0
315.1145324707031	184.0
315.19598388671875	1724.0
315.4378967285156	144.0
316.1988525390625	716.0
316.248291015625	112.0
317.20184326171875	200.0
318.2138366699219	172.0
318.54559326171875	192.0
319.81500244140625	152.0
320.10498046875	228.0
321.0872497558594	4024.0
321.1618347167969	188.0
321.4412536621094	160.0
321.5844421386719	104.0
321.63726806640625	160.0
322.08343505859375	11716.0
322.2613525390625	168.0
322.7071533203125	120.0
322.8904724121094	140.0
323.0933532714844	9516.0
323.1748046875	144.0
323.3219299316406	96.0
323.4541015625	144.0
323.7129211425781	136.0
323.9678649902344	160.0
324.0970458984375	8004.0
324.17120361328125	120.0
324.2627868652344	164.0
325.1038818359375	2220.0
325.7740478515625	128.0
326.10400390625	636.0
326.3852233886719	132.0
326.51629638671875	140.0
326.5450744628906	152.0
326.61700439453125	172.0
327.1086730957031	228.0
327.1891784667969	152.0
327.34039306640625	188.0
328.09173583984375	220.0
328.43798828125	124.0
328.7643127441406	160.0
328.7967834472656	176.0
330.1334533691406	148.0
330.2056579589844	116.0
330.560302734375	140.0
330.7395935058594	164.0
330.9259033203125	144.0
331.18756103515625	208.0
332.1042785644531	184.0
332.4918518066406	148.0
332.573974609375	116.0
333.0863952636719	252.0
333.20770263671875	156.0
334.0824890136719	504.0
335.1041564941406	1996.0
335.9531555175781	184.0
336.1027526855469	1172.0
336.2586364746094	176.0
337.0328063964844	196.0
337.1107177734375	1500.0
338.1130065917969	8852.0
338.2123107910156	128.0
339.1171875	4496.0
339.8875732421875	108.0
340.1298522949219	4300.0
340.3753967285156	144.0
341.132080078125	648.0
342.1314392089844	392.0
344.2977600097656	224.0
345.1155090332031	292.0
345.20611572265625	444.0
345.77398681640625	160.0
346.11083984375	160.0
346.8554992675781	156.0
347.10162353515625	264.0
348.1104736328125	688.0
348.22125244140625	232.0
349.0709533691406	108.0
349.1109924316406	368.0
350.0755920410156	676.0
350.114990234375	820.0
350.2204284667969	140.0
351.11602783203125	812.0
351.1860046386719	120.0
352.1285095214844	1548.0
352.3145446777344	140.0
353.1338195800781	580.0
353.4725036621094	216.0
354.10968017578125	272.0
354.1598815917969	128.0
354.5520935058594	144.0
355.0068664550781	168.0
355.1092529296875	188.0
355.9531555175781	156.0
356.1144714355469	320.0
356.6463623046875	168.0
357.1485290527344	136.0
357.20989990234375	524.0
357.7885437011719	112.0
358.0902099609375	120.0
358.199462890625	116.0
359.1003112792969	132.0
359.1351623535156	140.0
360.0896301269531	136.0
361.10174560546875	200.0
361.32818603515625	132.0
362.11199951171875	384.0
362.1422119140625	248.0
363.11529541015625	316.0
363.22412109375	116.0
364.0875244140625	420.0
364.1325378417969	564.0
365.0802001953125	128.0
365.1158752441406	160.0
365.5871887207031	140.0
365.792724609375	200.0
366.11517333984375	740.0
366.5347900390625	132.0
366.6611328125	184.0
366.6905212402344	140.0
367.1201171875	668.0
367.38372802734375	196.0
368.13079833984375	264.0
369.129150390625	116.0
370.1388854980469	140.0
370.2637634277344	140.0
371.1437683105469	292.0
372.1331481933594	116.0
373.118896484375	148.0
373.2160339355469	128.0
373.94561767578125	168.0
374.1180419921875	268.0
375.1124267578125	168.0
375.2228088378906	236.0
376.12603759765625	216.0
376.22369384765625	164.0
377.1251220703125	264.0
377.6727600097656	140.0
378.11968994140625	284.0
378.1475524902344	372.0
379.14129638671875	1560.0
380.029296875	152.0
380.14697265625	1064.0
380.722900390625	164.0
381.1524658203125	560.0
381.90753173828125	104.0
382.1409912109375	828.0
382.2617492675781	144.0
383.1371765136719	304.0
384.1207275390625	160.0
384.3017883300781	144.0
385.1642150878906	256.0
385.39154052734375	108.0
386.020263671875	124.0
386.1102600097656	180.0
387.11700439453125	228.0
387.1766052246094	140.0
388.1215515136719	144.0
388.1668395996094	2452.0
389.11297607421875	236.0
389.1682434082031	728.0
390.106201171875	548.0
390.1419372558594	376.0
390.9104919433594	284.0
391.1244812011719	628.0
391.90667724609375	228.0
392.1255798339844	216.0
392.6517333984375	196.0
392.7817687988281	128.0
393.1043395996094	288.0
393.13800048828125	136.0
394.16656494140625	1012.0
395.10845947265625	108.0
395.1718444824219	1396.0
396.1253662109375	140.0
396.170166015625	820.0
397.14874267578125	224.0
397.1798400878906	316.0
398.1200866699219	276.0
398.9156494140625	148.0
399.1224365234375	700.0
400.1298522949219	300.0
400.2086181640625	224.0
400.3599548339844	168.0
401.1322326660156	360.0
402.1069030761719	432.0
403.1160888671875	1240.0
404.11846923828125	476.0
404.18438720703125	336.0
404.82861328125	140.0
405.1290588378906	436.0
405.19635009765625	456.0
405.8739929199219	100.0
406.10235595703125	144.0
406.1766052246094	4412.0
407.1802978515625	1440.0
408.11761474609375	296.0
408.1529846191406	240.0
408.19189453125	1204.0
408.50909423828125	144.0
409.125	136.0
409.19561767578125	356.0
409.4307861328125	152.0
409.50732421875	152.0
410.1243896484375	216.0
410.1988830566406	300.0
411.0836181640625	160.0
411.20892333984375	100.0
412.1124572753906	236.0
412.61041259765625	152.0
412.90557861328125	156.0
413.0107421875	204.0
413.1418762207031	412.0
413.2979736328125	152.0
414.1421813964844	316.0
415.1150817871094	332.0
415.1554260253906	236.0
416.0596618652344	136.0
416.1233215332031	2528.0
416.6022033691406	148.0
417.01666259765625	140.0
417.12750244140625	1200.0
418.1400451660156	1296.0
418.18341064453125	164.0
418.42657470703125	124.0
418.5648193359375	100.0
418.8100280761719	176.0
419.1440124511719	500.0
419.956298828125	160.0
420.1224670410156	116.0
420.1589660644531	104.0
421.1187438964844	152.0
421.1897277832031	1152.0
421.6424560546875	148.0
422.0203857421875	160.0
422.0757751464844	188.0
422.14312744140625	128.0
422.19378662109375	7560.0
422.87701416015625	116.0
423.20269775390625	14732.0
423.6855163574219	148.0
424.0937194824219	152.0
424.12646484375	252.0
424.2068176269531	6492.0
424.33935546875	104.0
425.1417236328125	376.0
425.21075439453125	1636.0
425.755615234375	176.0
425.9300231933594	192.0
426.1457214355469	356.0
426.21875	236.0
426.2748718261719	104.0
427.05023193359375	224.0
427.1509704589844	1368.0
427.59332275390625	148.0
428.1558837890625	1036.0
428.8371276855469	176.0
429.162109375	380.0
430.13800048828125	804.0
430.1703796386719	532.0
430.3077087402344	160.0
430.4955749511719	172.0
431.1509094238281	704.0
432.15423583984375	1304.0
432.31134033203125	284.0
433.1607666015625	1072.0
433.32049560546875	96.0
434.122802734375	124.0
434.169677734375	924.0
434.24920654296875	140.0
435.1656799316406	184.0
435.2016296386719	328.0
436.1625671386719	144.0
436.1998291015625	228.0
437.1723327636719	124.0
437.4208068847656	124.0
438.1543273925781	160.0
438.1907653808594	112.0
438.23858642578125	120.0
439.00689697265625	140.0
439.1348876953125	244.0
439.8371276855469	192.0
440.162841796875	360.0
440.254638671875	160.0
440.82843017578125	124.0
441.16143798828125	448.0
441.21710205078125	312.0
442.08148193359375	152.0
442.14312744140625	372.0
442.1768798828125	1052.0
442.32843017578125	144.0
442.5544738769531	144.0
442.604736328125	144.0
443.1529235839844	1432.0
443.6083679199219	108.0
443.9498291015625	152.0
444.1553955078125	2184.0
444.3040771484375	148.0
444.34991455078125	148.0
444.5406799316406	128.0
445.162841796875	3104.0
445.3782958984375	160.0
446.1684875488281	1816.0
446.32745361328125	112.0
446.5265197753906	116.0
446.8396911621094	156.0
447.1766662597656	836.0
448.179443359375	628.0
449.1804504394531	1140.0
450.1778869628906	328.0
450.2070617675781	252.0
451.1966552734375	716.0
452.0845031738281	184.0
452.1567077636719	232.0
452.2009582519531	124.0
453.1326599121094	148.0
453.18414306640625	128.0
454.1753234863281	136.0
455.1681823730469	232.0
455.2214660644531	300.0
455.4720458984375	144.0
456.15167236328125	676.0
456.4154968261719	148.0
457.16302490234375	484.0
457.2010498046875	272.0
457.7120666503906	128.0
458.12176513671875	320.0
458.1711120605469	1004.0
458.6354064941406	112.0
459.1783752441406	436.0
460.0907897949219	108.0
460.1520690917969	1012.0
460.18365478515625	1508.0
460.68170166015625	140.0
461.1514587402344	360.0
461.1906433105469	680.0
462.1723937988281	816.0
462.82867431640625	192.0
463.1719970703125	572.0
463.272705078125	112.0
464.1376037597656	208.0
464.1865539550781	112.0
464.32568359375	148.0
465.1631164550781	104.0
465.2139587402344	284.0
466.1513671875	208.0
466.2081604003906	252.0
466.52264404296875	116.0
467.1741027832031	472.0
467.2256164550781	604.0
468.15155029296875	172.0
468.1932678222656	236.0
468.2296142578125	228.0
469.1576232910156	312.0
469.2003173828125	452.0
469.4159240722656	140.0
470.1756896972656	232.0
470.261474609375	164.0
471.1678771972656	368.0
472.16217041015625	356.0
472.1858825683594	648.0
472.2248840332031	380.0
473.1762390136719	1000.0
473.5906982421875	156.0
473.7447814941406	96.0
473.9960632324219	164.0
474.1685791015625	2476.0
474.3143005371094	136.0
475.17236328125	1356.0
476.1868896484375	416.0
476.3499450683594	132.0
477.1849060058594	436.0
477.9493103027344	148.0
478.1886291503906	184.0
478.2582702636719	168.0
479.166748046875	172.0
479.2202453613281	164.0
479.8221435546875	176.0
480.18206787109375	216.0
480.2582092285156	152.0
481.2079162597656	120.0
482.1546936035156	328.0
482.2000427246094	200.0
482.25347900390625	160.0
483.2066955566406	228.0
483.60943603515625	184.0
484.1870422363281	460.0
485.19293212890625	288.0
486.20672607421875	444.0
486.3268737792969	152.0
486.88153076171875	120.0
487.2072448730469	372.0
487.29296875	148.0
487.3841857910156	116.0
487.49810791015625	112.0
487.6188659667969	124.0
488.18182373046875	1536.0
488.3416442871094	100.0
489.18792724609375	388.0
490.1983642578125	940.0
491.0684814453125	112.0
491.1988220214844	728.0
492.19830322265625	552.0
492.32879638671875	676.0
492.5705871582031	220.0
493.20770263671875	100.0
493.3368835449219	580.0
493.7387390136719	104.0
494.0052795410156	96.0
494.2207336425781	240.0
494.6355895996094	176.0
495.1780090332031	184.0
496.1897888183594	240.0
497.1109313964844	104.0
497.175048828125	312.0
497.2161865234375	556.0
497.5702819824219	144.0
497.9521484375	196.0
498.21270751953125	436.0
498.26910400390625	216.0
499.1958312988281	372.0
499.2319030761719	352.0
500.2126159667969	336.0
500.8342590332031	304.0
501.0970764160156	176.0
501.2103271484375	720.0
501.3799743652344	132.0
501.86224365234375	124.0
502.2054138183594	1656.0
503.2120056152344	460.0
503.35400390625	140.0
503.92572021484375	184.0
504.07012939453125	100.0
504.20751953125	296.0
504.3332824707031	120.0
504.8755187988281	140.0
505.2227783203125	408.0
505.3475036621094	264.0
506.148681640625	156.0
506.1982116699219	440.0
506.3445739746094	108.0
506.50250244140625	140.0
507.2197570800781	140.0
508.17828369140625	108.0
508.1871032714844	292.0
509.19647216796875	324.0
509.2416076660156	616.0
510.19793701171875	400.0
510.255615234375	152.0
511.20556640625	200.0
511.2649841308594	308.0
511.3099670410156	124.0
512.20703125	408.0
512.2936401367188	152.0
512.7297973632812	144.0
513.1980590820312	152.0
514.1141357421875	128.0
514.1996459960938	748.0
514.9117431640625	120.0
515.0623779296875	140.0
515.2144165039062	700.0
515.3164672851562	112.0
515.7476806640625	108.0
516.2281494140625	484.0
516.6614990234375	160.0
517.2398681640625	852.0
517.8621826171875	140.0
518.2373046875	732.0
519.18896484375	148.0
519.2320556640625	280.0
520.20703125	680.0
520.3861694335938	240.0
520.5106201171875	208.0
521.2359008789062	268.0
522.2186889648438	412.0
523.21533203125	348.0
524.1677856445312	340.0
524.7876586914062	164.0
525.2096557617188	240.0
525.25	1000.0
525.9920654296875	176.0
526.1818237304688	124.0
526.2559814453125	1352.0
526.3174438476562	132.0
527.2606811523438	1104.0
527.5430908203125	120.0
527.9717407226562	112.0
528.2091674804688	976.0
528.2689819335938	916.0
529.2196044921875	424.0
529.2774047851562	560.0
530.0486450195312	148.0
530.1895141601562	516.0
530.2298583984375	368.0
530.8982543945312	120.0
531.2229614257812	1316.0
531.8994750976562	212.0
532.1154174804688	140.0
532.2077026367188	1536.0
533.214111328125	612.0
533.3740844726562	148.0
534.2164306640625	588.0
534.4835815429688	100.0
534.9445190429688	260.0
535.0596313476562	140.0
535.2581787109375	304.0
536.1923217773438	172.0
536.2286987304688	264.0
537.0087890625	152.0
537.2451782226562	312.0
537.5888061523438	144.0
538.248291015625	128.0
538.401611328125	96.0
539.183349609375	160.0
539.2427978515625	220.0
539.9692993164062	148.0
540.1358032226562	152.0
540.2001342773438	96.0
540.2727661132812	212.0
541.2404174804688	400.0
541.3946533203125	164.0
542.225341796875	132.0
542.3431396484375	100.0
543.2598876953125	3772.0
543.3507080078125	200.0
543.5131225585938	204.0
543.905517578125	116.0
544.0407104492188	112.0
544.21142578125	356.0
544.2640991210938	2612.0
544.4861450195312	164.0
544.984375	96.0
545.27392578125	5644.0
545.4332275390625	148.0
545.6178588867188	116.0
545.8170166015625	172.0
546.2227783203125	732.0
546.279541015625	2716.0
547.2333374023438	328.0
547.2852783203125	504.0
547.46142578125	224.0
548.2380981445312	832.0
548.2952880859375	340.0
548.3743286132812	128.0
549.246337890625	316.0
550.2359619140625	336.0
550.5780029296875	128.0
551.2080688476562	144.0
551.25439453125	256.0
551.9580078125	148.0
552.2654418945312	236.0
552.9072875976562	120.0
553.2382202148438	344.0
553.3058471679688	108.0
553.4132080078125	180.0
554.1297607421875	140.0
554.23779296875	308.0
554.4624633789062	184.0
554.5889892578125	168.0
554.7484130859375	192.0
555.1703491210938	140.0
555.2567138671875	1116.0
555.5033569335938	168.0
555.6802368164062	108.0
556.0555419921875	148.0
556.2628173828125	900.0
557.1605224609375	196.0
557.2752685546875	696.0
558.0675659179688	172.0
558.2758178710938	500.0
558.6102905273438	136.0
559.2333374023438	332.0
559.99072265625	184.0
560.2303466796875	336.0
560.4880981445312	108.0
561.243408203125	268.0
562.2490234375	232.0
562.4298706054688	176.0
563.0011596679688	188.0
563.1973876953125	160.0
563.2434692382812	336.0
563.3223266601562	160.0
563.4668579101562	116.0
564.2427978515625	408.0
564.6552124023438	192.0
565.262939453125	320.0
565.6251831054688	156.0
566.216552734375	288.0
566.246826171875	420.0
566.359130859375	156.0
566.8423461914062	140.0
567.2158203125	248.0
567.3004760742188	484.0
567.5912475585938	148.0
567.6339721679688	144.0
567.915283203125	112.0
568.1928100585938	120.0
568.2870483398438	288.0
568.389404296875	136.0
569.1303100585938	136.0
569.2681274414062	188.0
569.3026733398438	292.0
569.6066284179688	148.0
570.2147827148438	220.0
570.2589111328125	276.0
570.2904663085938	264.0
571.2466430664062	408.0
571.79541015625	208.0
571.919189453125	160.0
572.240234375	308.0
572.3129272460938	168.0
573.2704467773438	10948.0
574.1345825195312	148.0
574.2761840820312	5268.0
574.5877075195312	144.0
574.8549194335938	156.0
575.2804565429688	2740.0
575.46728515625	192.0
575.8270874023438	156.0
575.9912109375	144.0
576.0473022460938	152.0
576.2821655273438	776.0
576.6629028320312	132.0
577.28369140625	292.0
577.4918212890625	176.0
577.6605834960938	140.0
578.2706909179688	228.0
578.329345703125	176.0
578.436767578125	128.0
578.4948120117188	140.0
579.1218872070312	196.0
579.25244140625	188.0
579.3732299804688	148.0
580.1112670898438	148.0
580.26904296875	940.0
580.8449096679688	144.0
581.2739868164062	384.0
581.8595581054688	100.0
582.267578125	372.0
582.5335693359375	148.0
582.5922241210938	168.0
583.0198364257812	152.0
583.1015625	116.0
583.2545776367188	480.0
583.29052734375	304.0
583.4210815429688	128.0
584.2792358398438	408.0
584.3260498046875	312.0
585.3032836914062	1340.0
586.0230102539062	132.0
586.306640625	480.0
586.3949584960938	132.0
587.285888671875	628.0
588.2781982421875	384.0
588.331298828125	192.0
588.6724243164062	148.0
589.2664184570312	756.0
589.446533203125	156.0
589.7886352539062	112.0
590.2550048828125	576.0
590.4441528320312	156.0
590.99560546875	140.0
591.0343017578125	144.0
591.2694091796875	796.0
592.1165771484375	196.0
592.2254028320312	444.0
592.636962890625	140.0
593.240966796875	340.0
593.302978515625	180.0
593.9866943359375	100.0
594.2618408203125	252.0
594.76318359375	100.0
594.8588256835938	140.0
595.2879028320312	400.0
596.2037353515625	100.0
596.26171875	232.0
596.2938842773438	304.0
596.4797973632812	292.0
596.9716186523438	160.0
597.2459106445312	160.0
597.3012084960938	560.0
598.2870483398438	648.0
598.3576049804688	108.0
599.1828002929688	176.0
599.2864379882812	232.0
599.5247802734375	152.0
600.228271484375	112.0
600.2741088867188	428.0
600.3634033203125	312.0
600.591064453125	112.0
601.2973022460938	988.0
601.4879760742188	204.0
601.5270385742188	144.0
601.7061767578125	116.0
601.7929077148438	104.0
602.01708984375	152.0
602.1715698242188	144.0
602.2891845703125	736.0
602.7494506835938	108.0
603.2745971679688	376.0
603.3032836914062	328.0
604.2811279296875	212.0
604.4479370117188	116.0
605.11376953125	140.0
605.1541748046875	124.0
605.2035522460938	192.0
605.2907104492188	200.0
605.9478759765625	200.0
606.2654418945312	772.0
606.3818969726562	156.0
606.4624633789062	160.0
607.2828369140625	568.0
607.546142578125	160.0
607.7276000976562	196.0
608.2645263671875	2716.0
608.5676879882812	132.0
608.9376831054688	184.0
609.0293579101562	96.0
609.2633666992188	1108.0
609.4657592773438	144.0
609.5345458984375	148.0
609.736083984375	144.0
610.2762451171875	440.0
610.83251953125	164.0
610.9909057617188	100.0
611.2646484375	364.0
611.3052978515625	284.0
612.0283813476562	148.0
612.2625122070312	320.0
612.303955078125	208.0
612.8411254882812	140.0
613.103515625	116.0
613.2967529296875	1968.0
613.8818359375	112.0
614.302734375	1176.0
614.38720703125	164.0
615.3003540039062	944.0
615.5532836914062	136.0
616.0348510742188	152.0
616.0725708007812	212.0
616.2930297851562	808.0
617.0567626953125	164.0
617.291259765625	784.0
617.436767578125	148.0
617.5455932617188	144.0
617.6607666015625	124.0
617.8558349609375	100.0
618.0927734375	144.0
618.291748046875	444.0
618.9390258789062	148.0
619.2569580078125	296.0
619.2939453125	220.0
619.3794555664062	168.0
620.0260009765625	148.0
620.2759399414062	2288.0
620.3760986328125	132.0
620.6190185546875	132.0
620.8040161132812	120.0
621.0671997070312	164.0
621.1358642578125	132.0
621.2775268554688	588.0
622.2742919921875	396.0
622.5411987304688	140.0
623.291015625	216.0
624.2662353515625	1712.0
624.9189453125	104.0
625.2650756835938	580.0
625.2992553710938	456.0
625.3065795898438	752.0
626.2806396484375	1056.0
626.435546875	188.0
626.5152587890625	148.0
627.0633544921875	200.0
627.1107788085938	156.0
627.2938842773438	620.0
627.9234619140625	132.0
628.2911987304688	284.0
628.5394897460938	164.0
628.6209716796875	180.0
628.8853149414062	132.0
629.2799072265625	252.0
629.3938598632812	120.0
629.44140625	156.0
630.07568359375	112.0
630.2757568359375	700.0
630.2891845703125	400.0
630.9168701171875	188.0
631.032470703125	96.0
631.3115844726562	4632.0
631.532958984375	116.0
631.7098388671875	104.0
632.2213134765625	140.0
632.3184814453125	6680.0
632.509765625	112.0
633.3211669921875	3936.0
633.4301147460938	104.0
633.6005859375	188.0
633.7433471679688	248.0
634.2979736328125	1172.0
634.54150390625	156.0
634.6339111328125	148.0
634.8176879882812	200.0
635.3040161132812	456.0
635.49169921875	132.0
635.6629638671875	124.0
636.2816162109375	620.0
636.7224731445312	116.0
636.8235473632812	172.0
636.9202880859375	144.0
637.025634765625	124.0
637.2767333984375	1388.0
637.4828491210938	204.0
637.7371826171875	124.0
637.905029296875	144.0
638.0919189453125	160.0
638.2892456054688	2116.0
638.375732421875	128.0
638.7503051757812	120.0
639.1243896484375	112.0
639.2929077148438	1152.0
639.3825073242188	216.0
639.5066528320312	132.0
639.6001586914062	140.0
640.2271728515625	160.0
640.29541015625	964.0
640.4367065429688	164.0
641.31396484375	764.0
641.4675903320312	180.0
641.6661987304688	116.0
641.7525634765625	124.0
642.179931640625	144.0
642.2813720703125	1808.0
642.52294921875	140.0
642.7261352539062	100.0
642.9541625976562	128.0
643.0068359375	116.0
643.17724609375	112.0
643.283935546875	1164.0
643.5950317382812	104.0
643.936279296875	164.0
644.0413208007812	188.0
644.2080688476562	100.0
644.2949829101562	1232.0
644.341552734375	436.0
644.600341796875	168.0
644.888671875	112.0
644.9532470703125	148.0
645.3019409179688	872.0
645.6618041992188	132.0
646.2830810546875	128.0
646.322265625	288.0
646.7559814453125	128.0
647.3009033203125	140.0
647.4735717773438	152.0
648.1550903320312	96.0
648.3107299804688	352.0
649.3118286132812	372.0
649.7449951171875	108.0
650.0756225585938	104.0
650.1663208007812	132.0
650.2911376953125	152.0
650.4425659179688	188.0
650.80810546875	148.0
651.3055419921875	176.0
651.4949340820312	116.0
652.109619140625	152.0
652.3004150390625	4520.0
652.9332275390625	96.0
653.0443115234375	100.0
653.1211547851562	148.0
653.302001953125	1884.0
653.7536010742188	96.0
653.9722900390625	116.0
654.3033447265625	1444.0
654.5753173828125	168.0
654.9915771484375	128.0
655.1053466796875	104.0
655.2864379882812	2468.0
655.3792724609375	148.0
655.4437255859375	152.0
655.5315551757812	128.0
655.589599609375	248.0
655.7424926757812	208.0
655.9362182617188	224.0
656.1553955078125	148.0
656.2965087890625	4748.0
657.117431640625	176.0
657.300048828125	2408.0
657.8576049804688	180.0
658.3079223632812	668.0
658.4047241210938	136.0
658.4962158203125	120.0
659.316650390625	520.0
659.414306640625	112.0
659.560302734375	168.0
660.301025390625	332.0
660.322265625	264.0
660.5178833007812	204.0
661.13720703125	124.0
661.3200073242188	344.0
661.801025390625	188.0
662.0516967773438	96.0
662.2744750976562	152.0
662.3213500976562	272.0
662.402587890625	128.0
662.6953735351562	124.0
662.9468383789062	116.0
663.2965698242188	260.0
663.3533935546875	224.0
663.6284790039062	172.0
663.688720703125	132.0
663.7429809570312	268.0
663.9808349609375	124.0
664.1455078125	164.0
664.3058471679688	248.0
664.5878295898438	156.0
665.2916870117188	164.0
665.3276977539062	276.0
665.36572265625	692.0
665.7884521484375	132.0
666.3104248046875	520.0
666.4325561523438	204.0
667.0616455078125	108.0
667.3090209960938	752.0
667.4415893554688	152.0
667.743408203125	144.0
667.8961791992188	128.0
667.985107421875	152.0
668.3074951171875	384.0
668.7179565429688	132.0
669.1627197265625	116.0
669.29736328125	836.0
669.5560913085938	112.0
670.3109741210938	8416.0
670.4819946289062	148.0
670.6204833984375	140.0
671.3152465820312	3116.0
671.4625244140625	184.0
671.5768432617188	132.0
671.6408081054688	108.0
672.10888671875	156.0
672.318603515625	1004.0
672.39013671875	184.0
673.092529296875	188.0
673.3326416015625	560.0
673.487060546875	128.0
673.593505859375	228.0
673.629638671875	340.0
673.8983154296875	168.0
673.93603515625	224.0
673.9946899414062	160.0
674.0814208984375	172.0
674.2388305664062	116.0
674.3167114257812	560.0
674.51953125	152.0
674.945068359375	152.0
675.336181640625	572.0
675.482421875	112.0
675.9820556640625	180.0
676.317626953125	644.0
676.5906982421875	96.0
676.7366333007812	108.0
676.97265625	144.0
677.3199462890625	144.0
677.476806640625	132.0
677.8956298828125	172.0
678.2924194335938	136.0
678.3334350585938	148.0
679.3115844726562	308.0
679.771728515625	124.0
680.1541137695312	176.0
680.2899780273438	404.0
680.6747436523438	104.0
680.75634765625	200.0
681.2955932617188	664.0
681.4006958007812	156.0
681.9640502929688	120.0
682.3003540039062	564.0
682.3709106445312	240.0
683.1972045898438	176.0
683.3128051757812	544.0
683.376953125	1484.0
684.3182983398438	1700.0
685.0089111328125	100.0
685.326904296875	608.0
685.6123046875	116.0
685.6694946289062	180.0
685.7875366210938	120.0
686.1766967773438	272.0
686.3082885742188	1452.0
686.8551635742188	124.0
686.908203125	168.0
687.31298828125	1204.0
687.7468872070312	292.0
687.9697265625	96.0
688.239013671875	140.0
688.31591796875	1364.0
688.504638671875	124.0
688.6090087890625	104.0
689.15478515625	184.0
689.3295288085938	428.0
689.8969116210938	96.0
689.9652709960938	100.0
690.2557373046875	172.0
690.3121948242188	148.0
691.136474609375	180.0
691.3331298828125	444.0
691.7313232421875	184.0
691.916748046875	124.0
692.086669921875	96.0
692.34521484375	504.0
692.6078491210938	160.0
692.8916625976562	116.0
693.352783203125	732.0
693.9178466796875	184.0
694.3131103515625	864.0
695.323486328125	556.0
695.534423828125	144.0
695.9984741210938	116.0
696.2940673828125	396.0
696.4714965820312	280.0
696.8341064453125	204.0
697.3082275390625	472.0
698.0149536132812	112.0
698.3089599609375	2060.0
698.5983276367188	132.0
698.9634399414062	156.0
699.3092651367188	1332.0
699.7266235351562	224.0
700.1373291015625	392.0
700.3155517578125	664.0
700.4207153320312	184.0
700.9600830078125	144.0
701.1895141601562	116.0
701.237548828125	120.0
701.3139038085938	500.0
701.3855590820312	1948.0
702.124755859375	132.0
702.3295288085938	4472.0
702.5255737304688	112.0
702.8657836914062	128.0
702.9259643554688	164.0
703.0919799804688	192.0
703.3185424804688	2028.0
703.82373046875	148.0
703.9061889648438	200.0
704.0452270507812	136.0
704.317138671875	2124.0
704.5859985351562	124.0
704.7166748046875	116.0
705.231201171875	96.0
705.3143920898438	648.0
705.4851684570312	140.0
705.6846923828125	96.0
706.31787109375	304.0
706.380859375	116.0
706.7432250976562	136.0
706.8573608398438	196.0
707.3296508789062	120.0
707.3739013671875	216.0
707.6317749023438	160.0
708.2338256835938	264.0
708.3214111328125	380.0
708.36767578125	148.0
708.4114990234375	104.0
708.8060302734375	176.0
709.1944580078125	116.0
709.3681030273438	920.0
710.3759155273438	432.0
710.4548950195312	180.0
710.9297485351562	104.0
711.27294921875	100.0
711.3153076171875	108.0
711.3729858398438	260.0
711.5216064453125	140.0
711.6431884765625	116.0
712.0573120117188	112.0
712.3218994140625	2916.0
712.8687133789062	96.0
713.1524047851562	168.0
713.2374267578125	148.0
713.3251342773438	2308.0
713.5071411132812	240.0
713.604248046875	156.0
713.6574096679688	152.0
713.8766479492188	112.0
713.9771728515625	116.0
714.13818359375	164.0
714.2119140625	200.0
714.3143920898438	2232.0
714.513671875	148.0
714.7158813476562	144.0
714.9842529296875	156.0
715.105224609375	120.0
715.2269897460938	96.0
715.3109741210938	5432.0
715.7324829101562	144.0
715.9508666992188	184.0
716.31591796875	6604.0
716.667236328125	104.0
716.8248901367188	108.0
717.0046997070312	132.0
717.3226928710938	4108.0
717.5399780273438	132.0
717.6207275390625	136.0
718.2266845703125	212.0
718.3222045898438	1268.0
718.9971313476562	252.0
719.0696411132812	144.0
719.1480712890625	120.0
719.1890258789062	120.0
719.3787841796875	2820.0
719.5283813476562	276.0
719.6725463867188	120.0
720.000244140625	136.0
720.3784790039062	1288.0
720.7549438476562	136.0
721.1632690429688	144.0
721.2059936523438	148.0
721.384521484375	376.0
721.7703247070312	192.0
722.0474853515625	144.0
722.2778930664062	104.0
722.3209838867188	120.0
722.3748779296875	412.0
722.4765014648438	184.0
723.3494262695312	200.0
723.36328125	164.0
723.7859497070312	104.0
723.8953247070312	124.0
724.0174560546875	108.0
724.3176879882812	208.0
724.402587890625	136.0
725.1184692382812	152.0
725.1676635742188	124.0
725.3651123046875	360.0
725.4044189453125	252.0
726.0792846679688	96.0
726.1498413085938	124.0
726.3341674804688	576.0
727.3635864257812	1124.0
727.59130859375	248.0
727.7094116210938	144.0
728.3250732421875	504.0
728.3775024414062	608.0
728.4934692382812	164.0
728.619140625	112.0
728.6868896484375	140.0
728.7620849609375	236.0
728.9940185546875	148.0
729.0952758789062	340.0
729.1935424804688	112.0
729.32373046875	348.0
729.3877563476562	464.0
729.4484252929688	244.0
729.6616821289062	148.0
729.8238525390625	96.0
730.0020751953125	152.0
730.1517944335938	164.0
730.3321533203125	13344.0
730.7142944335938	132.0
730.81298828125	124.0
730.9444580078125	124.0
731.1008911132812	136.0
731.3369140625	4996.0
731.6340942382812	160.0
731.7034301757812	108.0
731.77197265625	124.0
732.3411254882812	3092.0
732.5084838867188	112.0
732.7364501953125	196.0
732.8248901367188	112.0
732.9855346679688	200.0
733.0933837890625	128.0
733.2014770507812	156.0
733.3523559570312	1216.0
733.7303466796875	108.0
733.776611328125	120.0
733.87109375	128.0
734.1747436523438	196.0
734.3319702148438	496.0
734.3955688476562	220.0
734.6249389648438	148.0
734.7049560546875	188.0
734.9263916015625	136.0
735.2511596679688	136.0
735.3260498046875	256.0
735.5786743164062	204.0
735.9639282226562	120.0
736.2761840820312	120.0
736.3253784179688	116.0
736.3652954101562	124.0
736.4176635742188	100.0
736.5078125	128.0
736.546630859375	144.0
736.6244506835938	196.0
736.771484375	108.0
736.91015625	96.0
737.095703125	108.0
737.17333984375	336.0
737.220947265625	172.0
737.3917236328125	12956.0
737.6171875	100.0
737.74560546875	160.0
737.8741455078125	168.0
738.1583862304688	352.0
738.197509765625	188.0
738.3169555664062	108.0
738.3926391601562	4252.0
738.7472534179688	132.0
738.869873046875	112.0
738.943603515625	100.0
739.0897216796875	100.0
739.3959350585938	1572.0
739.5672607421875	108.0
739.695556640625	128.0
740.0750732421875	124.0
740.2462158203125	128.0
740.3964233398438	640.0
740.9212036132812	96.0
741.0103759765625	132.0
741.2233276367188	200.0
741.3563232421875	308.0
741.424072265625	396.0
741.5476684570312	180.0
742.1228637695312	208.0
742.2027587890625	116.0
742.3302612304688	748.0
742.5196533203125	120.0
742.7035522460938	120.0
743.0514526367188	144.0
743.2200317382812	140.0
743.3356323242188	452.0
743.396240234375	680.0
743.5313720703125	112.0
743.7244262695312	152.0
744.0792846679688	176.0
744.2333374023438	140.0
744.3452758789062	1172.0
744.5338134765625	124.0
744.8108520507812	172.0
745.0809936523438	108.0
745.348876953125	840.0
745.611083984375	104.0
745.8532104492188	108.0
746.0532836914062	124.0
746.334228515625	608.0
746.4660034179688	124.0
746.6676635742188	160.0
747.2459716796875	120.0
747.3384399414062	852.0
747.7545166015625	156.0
747.9736938476562	124.0
748.0798950195312	136.0
748.3419799804688	816.0
748.4819946289062	196.0
748.7066040039062	156.0
749.0640869140625	184.0
749.2156372070312	184.0
749.3447265625	352.0
749.4087524414062	124.0
749.4559326171875	120.0
749.6552734375	172.0
749.7391967773438	140.0
749.8343505859375	180.0
750.0790405273438	152.0
750.1483764648438	136.0
750.3425903320312	248.0
750.535888671875	184.0
750.8534545898438	116.0
750.9768676757812	100.0
751.3966064453125	728.0
751.9564819335938	132.0
752.2366333007812	136.0
752.4060668945312	440.0
752.54541015625	156.0
752.797607421875	108.0
752.9885864257812	112.0
753.1795043945312	108.0
753.260009765625	128.0
753.3759155273438	240.0
753.4314575195312	140.0
753.5579833984375	112.0
753.6124267578125	112.0
753.8965454101562	228.0
753.979248046875	100.0
754.1640014648438	104.0
754.2302856445312	244.0
754.3084716796875	156.0
754.4222412109375	176.0
754.6129760742188	136.0
754.6787719726562	104.0
754.7804565429688	148.0
754.8760375976562	120.0
754.965576171875	172.0
755.008544921875	252.0
755.0831298828125	212.0
755.1334838867188	316.0
755.2552490234375	264.0
755.3097534179688	316.0
755.4010620117188	77932.0
755.5533447265625	352.0
755.6805419921875	116.0
755.72314453125	196.0
755.8778076171875	156.0
755.974365234375	136.0
756.0534057617188	316.0
756.1106567382812	128.0
756.2549438476562	160.0
756.320556640625	440.0
756.4034423828125	33684.0
756.5269775390625	496.0
756.6198120117188	152.0
756.7501220703125	140.0
756.919189453125	312.0
756.9852294921875	140.0
757.0874633789062	204.0
757.1802368164062	144.0
757.295166015625	132.0
757.4052734375	7808.0
757.58203125	144.0
757.715576171875	140.0
757.8709106445312	156.0
757.95751953125	224.0
758.0206909179688	200.0
758.1017456054688	176.0
758.1259155273438	196.0
758.226318359375	256.0
758.3341674804688	148.0
758.4041137695312	1368.0
758.6150512695312	136.0
758.86279296875	96.0
759.0941162109375	160.0
759.1641845703125	160.0
759.3557739257812	480.0
759.42431640625	364.0
759.6734619140625	156.0
759.7462158203125	168.0
759.8278198242188	176.0
760.0993041992188	184.0
760.2348022460938	252.0
760.3529663085938	280.0
760.4130249023438	492.0
760.62841796875	212.0
760.7976684570312	128.0
760.990478515625	112.0
761.2421875	100.0
761.3975830078125	636.0
761.942626953125	164.0
762.0241088867188	208.0
762.357421875	1712.0
762.6910400390625	200.0
762.9083862304688	104.0
763.0857543945312	132.0
763.2188110351562	152.0
763.2710571289062	112.0
763.3601684570312	752.0
763.8474731445312	108.0
763.995361328125	148.0
764.3721923828125	200.0
764.4891967773438	148.0
764.542236328125	120.0
764.6300659179688	96.0
765.3751220703125	100.0
765.5093383789062	156.0
765.6546020507812	100.0
765.8548583984375	144.0
766.8311767578125	188.0
767.3259887695312	132.0
767.9713745117188	192.0
768.3358154296875	180.0
768.3768310546875	128.0
768.4512939453125	144.0
769.2442626953125	128.0
769.4130859375	2256.0
769.5103149414062	176.0
769.8754272460938	144.0
770.0521240234375	140.0
770.1880493164062	112.0
770.4177856445312	2192.0
771.0687255859375	172.0
771.1564331054688	160.0
771.256591796875	280.0
771.4215698242188	956.0
771.5692749023438	184.0
771.7667846679688	128.0
772.0693359375	148.0
772.3806762695312	680.0
772.8685913085938	100.0
772.92431640625	96.0
772.9765625	156.0
773.3772583007812	756.0
773.53857421875	96.0
773.7532958984375	108.0
773.81787109375	180.0
774.078125	252.0
774.2079467773438	108.0
774.3761596679688	444.0
774.5233764648438	96.0
774.6781616210938	152.0
774.7568359375	112.0
774.8516235351562	124.0
775.7531127929688	124.0
776.3651123046875	196.0
777.36181640625	184.0
777.4396362304688	112.0
777.553955078125	144.0
777.7510375976562	152.0
778.2587890625	112.0
778.379150390625	100.0
778.603271484375	140.0
778.79638671875	212.0
779.400634765625	2704.0
779.5018920898438	252.0
779.5889892578125	120.0
779.85888671875	152.0
780.1367797851562	160.0
780.2257690429688	116.0
780.4041748046875	1664.0
780.7706909179688	220.0
780.8954467773438	120.0
780.9474487304688	148.0
780.9915771484375	160.0
781.39794921875	348.0
781.7085571289062	160.0
781.90380859375	112.0
782.1282348632812	148.0
782.4177856445312	128.0
782.6292724609375	148.0
782.810302734375	100.0
782.9088134765625	136.0
783.1582641601562	156.0
783.4398193359375	140.0
783.4904174804688	100.0
783.9970092773438	96.0
784.2184448242188	116.0
784.3484497070312	120.0
784.9055786132812	192.0
785.3065795898438	200.0
785.404541015625	108.0
785.56787109375	104.0
785.6290893554688	216.0
786.3690795898438	116.0
786.528564453125	144.0
786.7333984375	292.0
786.7979736328125	124.0
787.0654907226562	148.0
787.423828125	5952.0
787.5543212890625	176.0
787.6292114257812	104.0
787.6849365234375	192.0
787.9486694335938	120.0
788.0598754882812	116.0
788.276123046875	148.0
788.4277954101562	2904.0
788.5634765625	288.0
789.2634887695312	144.0
789.3394165039062	104.0
789.4320068359375	1232.0
789.5878295898438	148.0
789.705322265625	156.0
790.0968627929688	156.0
790.2314453125	104.0
790.3142700195312	112.0
790.3621215820312	136.0
790.4366455078125	356.0
790.58984375	108.0
790.6890258789062	148.0
790.9581909179688	104.0
791.1481323242188	108.0
791.4015502929688	140.0
791.576416015625	116.0
791.6304931640625	152.0
791.7348022460938	168.0
792.6133422851562	120.0
792.9960327148438	112.0
793.2272338867188	116.0
793.5647583007812	224.0
793.6196899414062	180.0
794.0257568359375	164.0
794.1318359375	144.0
795.5492553710938	120.0
795.7000732421875	120.0
795.9459838867188	124.0
796.3712768554688	96.0
796.4424438476562	132.0
796.5739135742188	176.0
796.7954711914062	124.0
796.94677734375	132.0
797.0938720703125	100.0
797.24365234375	116.0
797.295654296875	112.0
797.4107666015625	14880.0
797.5313720703125	428.0
797.6209106445312	280.0
797.7896728515625	148.0
798.0706787109375	108.0
798.2780151367188	236.0
798.4136962890625	8156.0
798.5532836914062	176.0
798.6137084960938	112.0
798.6603393554688	116.0
798.7581176757812	188.0
798.8330688476562	192.0
799.0819091796875	120.0
799.41796875	2076.0
799.5438842773438	368.0
799.7402954101562	152.0
799.807373046875	164.0
799.8538818359375	200.0
799.9846801757812	144.0
800.04248046875	116.0
800.2034301757812	100.0
800.4306030273438	520.0
800.5230102539062	136.0
800.5634765625	120.0
800.6854248046875	152.0
800.806640625	108.0
800.9227905273438	132.0
801.1298828125	112.0
801.3280639648438	208.0
801.8866577148438	120.0
802.066162109375	180.0
802.207763671875	96.0
802.3634643554688	156.0
802.4641723632812	244.0
802.5579833984375	152.0
802.8521118164062	148.0
802.933349609375	172.0
803.2236938476562	188.0
803.2584838867188	248.0
803.37646484375	116.0
803.4202270507812	240.0
803.6629028320312	136.0
804.0971069335938	96.0
804.21630859375	212.0
804.2576904296875	144.0
804.2957763671875	96.0
804.4295654296875	192.0
804.4846801757812	136.0
804.5383911132812	108.0
804.9165649414062	148.0
805.1245727539062	132.0
805.219482421875	128.0
805.3190307617188	136.0
805.4273071289062	260.0
805.572998046875	104.0
805.7299194335938	112.0
806.1065063476562	124.0
806.199462890625	160.0
806.33203125	120.0
806.4129638671875	96.0
806.4825439453125	252.0
806.5693969726562	132.0
806.8705444335938	112.0
806.9182739257812	148.0
807.1556396484375	108.0
807.2478637695312	108.0
807.4215698242188	184.0
807.4666137695312	132.0
807.5880737304688	200.0
807.70947265625	256.0
807.772216796875	116.0
808.1254272460938	124.0
808.1815185546875	208.0
808.2459716796875	104.0
808.3201293945312	164.0
808.47119140625	204.0
808.5535888671875	120.0
808.661376953125	176.0
808.7247314453125	152.0
808.8046264648438	104.0
808.8734130859375	204.0
808.9606323242188	204.0
809.0527954101562	176.0
809.1806640625	116.0
809.49609375	228.0
809.5747680664062	108.0
809.6757202148438	132.0
809.7492065429688	212.0
809.8496704101562	164.0
809.9520263671875	152.0
810.090087890625	164.0
810.4833374023438	160.0
810.674560546875	124.0
810.8218994140625	288.0
810.9868774414062	164.0
811.0339965820312	136.0
811.1253051757812	240.0
811.2348022460938	212.0
811.2506103515625	108.0
811.3524780273438	252.0
811.4267578125	424.0
811.5789794921875	188.0
811.6425170898438	116.0
811.7661743164062	212.0
811.8848266601562	184.0
812.0180053710938	132.0
812.1105346679688	204.0
812.1656494140625	160.0
812.2496337890625	124.0
812.31884765625	116.0
812.4287719726562	284.0
812.5069580078125	300.0
812.5768432617188	236.0
812.6292114257812	192.0
812.8140258789062	240.0
812.8882446289062	104.0
812.9322509765625	224.0
812.973876953125	108.0
813.0764770507812	424.0
813.13916015625	136.0
813.2271728515625	352.0
813.3062744140625	256.0
813.4639282226562	228.0
813.5380859375	288.0
813.5819091796875	224.0
813.6640625	144.0
813.7926025390625	256.0
813.8474731445312	204.0
813.926025390625	132.0
814.0087280273438	316.0
814.08056640625	360.0
814.1416625976562	496.0
814.2343139648438	420.0
814.3109741210938	348.0
814.4055786132812	256.0
814.4962158203125	352.0
814.5405883789062	312.0
814.5852661132812	356.0
814.67724609375	464.0
814.773681640625	560.0
814.8949584960938	756.0
814.9332885742188	456.0
814.9691772460938	300.0
814.9834594726562	220.0
815.044189453125	420.0
815.1002197265625	572.0
815.140625	620.0
815.1966552734375	456.0
815.2410888671875	744.0
815.425048828125	365316.0
815.609619140625	688.0
815.7410888671875	292.0
815.7843017578125	448.0
815.8453369140625	380.0
815.9488525390625	780.0
815.9625854492188	684.0
815.9788818359375	1284.0
816.0519409179688	616.0
816.1181030273438	472.0
816.1343994140625	564.0
816.2860107421875	572.0
816.4280395507812	238080.0
816.5800170898438	540.0
816.6033325195312	272.0
816.6250610351562	380.0
816.7218017578125	272.0
816.79541015625	616.0
816.8827514648438	476.0
816.9359130859375	384.0
816.9738159179688	556.0
817.0921020507812	344.0
817.1652221679688	244.0
817.265869140625	392.0
817.4291381835938	67428.0
817.5820922851562	228.0
817.6710815429688	152.0
817.7586669921875	508.0
817.8408813476562	440.0
817.913818359375	332.0
817.9841918945312	260.0
818.0499877929688	120.0
818.1110229492188	192.0
818.1652221679688	336.0
818.2060546875	460.0
818.294921875	204.0
818.431396484375	10876.0
818.5323486328125	264.0
818.6432495117188	316.0
818.7800903320312	400.0
818.9411010742188	204.0
819.1484985351562	156.0
819.2221069335938	368.0
819.288330078125	332.0
819.4317626953125	1632.0
819.5247802734375	272.0
819.5808715820312	240.0
819.6846923828125	332.0
819.7451782226562	152.0
819.8195190429688	320.0
819.9376220703125	476.0
820.0938720703125	276.0
820.166015625	360.0
820.2178955078125	208.0
820.3048706054688	348.0
820.3847045898438	448.0
820.44873046875	760.0
820.5382080078125	340.0
820.5802001953125	408.0
820.66064453125	360.0
820.7327270507812	356.0
820.8167114257812	400.0
820.8538208007812	288.0
820.9552612304688	516.0
821.0189819335938	248.0
821.1085205078125	284.0
821.1767578125	352.0
821.2899780273438	148.0
821.3848266601562	200.0
821.4880981445312	260.0
821.5301513671875	192.0
821.6066284179688	220.0
821.6744384765625	188.0
821.7276611328125	300.0
821.7802124023438	216.0
821.852783203125	224.0
822.0689697265625	176.0
822.1710205078125	204.0
822.2144775390625	120.0
822.3732299804688	152.0
822.4495239257812	140.0
822.7523193359375	292.0
822.8314208984375	280.0
822.869140625	188.0
823.0130004882812	124.0
823.0843505859375	228.0
823.3010864257812	136.0
823.35302734375	112.0
823.5651245117188	224.0
823.6649780273438	116.0
823.8077392578125	112.0
823.86865234375	100.0
823.92529296875	228.0
824.285400390625	112.0
824.3598022460938	248.0
824.6148071289062	116.0
825.1661376953125	100.0
825.3056640625	116.0
825.43603515625	128.0
825.6365356445312	100.0
825.6945190429688	168.0
825.9899291992188	100.0
826.8103637695312	172.0
827.3641357421875	128.0
827.5013427734375	256.0
827.5565185546875	100.0
827.7017822265625	120.0
827.7529907226562	120.0
828.1683959960938	160.0
828.327392578125	104.0
828.4231567382812	124.0
828.6690063476562	240.0
828.760009765625	128.0
828.8405151367188	108.0
829.437744140625	1936.0
829.7115478515625	116.0
830.0983276367188	104.0
830.182861328125	168.0
830.4454956054688	1104.0
830.6475830078125	112.0
831.2774047851562	112.0
831.4459838867188	660.0
831.5811157226562	96.0
831.7017211914062	112.0
831.9380493164062	108.0
832.1539916992188	144.0
832.2510375976562	104.0
832.3965454101562	108.0
832.4508666992188	220.0
832.6564331054688	112.0
832.7244262695312	152.0
832.9682006835938	164.0
833.1603393554688	116.0
833.5765380859375	104.0
834.2872314453125	164.0
834.5012817382812	104.0
834.566162109375	176.0
834.64892578125	144.0
834.8507080078125	172.0
834.9194946289062	100.0
834.9913940429688	152.0
835.0677490234375	164.0
835.2799682617188	100.0
835.479248046875	152.0
835.6485595703125	116.0
835.690673828125	136.0
835.7468872070312	96.0
835.8006591796875	188.0
836.0369873046875	160.0
836.1104125976562	168.0
836.5436401367188	160.0
836.8198852539062	116.0
836.8905639648438	120.0
837.0487060546875	148.0
837.2268676757812	144.0
837.384033203125	108.0
837.4202880859375	148.0
837.5991821289062	108.0
837.6535034179688	108.0
837.8361206054688	288.0
837.9951171875	144.0
838.1016845703125	104.0
838.169677734375	116.0
838.2485961914062	112.0
838.3238525390625	200.0
838.5319213867188	176.0
838.5470581054688	244.0
838.6851806640625	208.0
838.872802734375	112.0
838.9710693359375	232.0
839.0703125	116.0
839.1940307617188	140.0
839.2378540039062	152.0
839.3216552734375	140.0
839.358154296875	164.0
839.445068359375	196.0
839.5380249023438	140.0
839.7172241210938	180.0
839.8001708984375	180.0
839.8442993164062	124.0
839.886474609375	148.0
840.009033203125	192.0
840.063232421875	112.0
840.1099243164062	244.0
840.16796875	120.0
840.2260131835938	96.0
840.2747802734375	112.0
840.3994140625	200.0
840.4938354492188	192.0
840.5734252929688	176.0
840.66943359375	140.0
840.8433227539062	308.0
840.9591674804688	244.0
841.0692749023438	172.0
841.2239990234375	144.0
841.2903442382812	236.0
841.419921875	136.0
841.5690307617188	136.0
841.6126708984375	160.0
841.66259765625	340.0
841.740234375	140.0
841.8077392578125	248.0
841.8629760742188	144.0
841.931884765625	100.0
842.0186767578125	212.0
842.1199340820312	268.0
842.1832275390625	212.0
842.2483520507812	212.0
842.3145751953125	296.0
842.4083251953125	152.0
842.452392578125	256.0
842.5203247070312	208.0
842.6348876953125	140.0
842.7427368164062	224.0
842.9105834960938	208.0
843.1702270507812	196.0
843.4933471679688	176.0
843.556396484375	280.0
843.63232421875	120.0
843.7203979492188	128.0
843.9190673828125	124.0
843.9656372070312	344.0
844.083984375	204.0
844.1860961914062	296.0
844.2284545898438	116.0
844.3150634765625	172.0
844.4932250976562	284.0
844.625	220.0
844.6776123046875	232.0
844.767333984375	272.0
844.8234252929688	200.0
844.9342041015625	160.0
845.0045166015625	284.0
845.0743408203125	104.0
845.1651000976562	236.0
845.2298583984375	108.0
845.3626708984375	172.0
845.3805541992188	232.0
845.4276733398438	308.0
845.5269775390625	300.0
845.6571655273438	220.0
845.7752685546875	328.0
845.8342895507812	308.0
845.9265747070312	184.0
845.9686279296875	268.0
846.0354614257812	240.0
846.1095581054688	484.0
846.1632690429688	424.0
846.2560424804688	320.0
846.3196411132812	460.0
846.3986206054688	380.0
846.4723510742188	408.0
846.5531616210938	456.0
846.6690673828125	660.0
846.7174072265625	316.0
846.7335205078125	364.0
846.8196411132812	432.0
846.8690795898438	236.0
846.9346313476562	564.0
847.023193359375	964.0
847.1995239257812	876.0
847.276611328125	720.0
847.32861328125	1036.0
847.450927734375	252424.0
847.6065063476562	304.0
847.6497802734375	240.0
847.838134765625	260.0
847.9205932617188	304.0
847.9922485351562	1408.0
848.072021484375	860.0
848.1194458007812	556.0
848.2162475585938	220.0
848.3175659179688	680.0
848.4542846679688	229372.0
848.6702270507812	104.0
848.8741455078125	624.0
848.963134765625	584.0
849.0037231445312	472.0
849.2009887695312	184.0
849.311279296875	364.0
849.456298828125	112004.0
849.7445068359375	184.0
849.8507690429688	648.0
849.9357299804688	372.0
849.94921875	380.0
850.109130859375	328.0
850.2083740234375	192.0
850.3411865234375	440.0
850.4566650390625	19712.0
850.7222290039062	224.0
850.7691040039062	284.0
850.8181762695312	176.0
850.8592529296875	236.0
850.9176025390625	276.0
850.9597778320312	124.0
850.9755249023438	184.0
851.0626220703125	112.0
851.1129760742188	108.0
851.1707153320312	148.0
851.2225952148438	172.0
851.2619018554688	340.0
851.2808837890625	240.0
851.302734375	368.0
851.4644165039062	2604.0
851.5855712890625	116.0
851.7333984375	224.0
851.77880859375	368.0
851.8723754882812	300.0
851.95654296875	216.0
852.0240478515625	216.0
852.0958862304688	260.0
852.2163696289062	492.0
852.2621459960938	284.0
852.3483276367188	244.0
852.4470825195312	224.0
852.5403442382812	360.0
852.5836791992188	484.0
852.69921875	324.0
852.71044921875	436.0
852.79052734375	452.0
852.8328247070312	404.0
852.848388671875	528.0
852.8976440429688	360.0
852.9845581054688	252.0
853.0877075195312	332.0
853.22705078125	176.0
853.3142700195312	128.0
853.387451171875	184.0
853.4407958984375	292.0
853.5239868164062	340.0
853.5668334960938	256.0
853.6260375976562	104.0
853.6942138671875	488.0
853.7857055664062	280.0
853.986572265625	176.0
854.1387329101562	156.0
854.3117065429688	176.0
854.4365844726562	108.0
854.5374145507812	216.0
854.6409912109375	168.0
854.92626953125	164.0
854.986572265625	104.0
855.0531005859375	132.0
855.3665771484375	156.0
855.4746704101562	108.0
855.7974853515625	144.0
855.9404296875	176.0
856.0955810546875	120.0
856.4605102539062	116.0
856.5932006835938	136.0
856.6802368164062	152.0
856.7481689453125	276.0
857.6785278320312	192.0
858.4039306640625	104.0
858.4899291992188	108.0
858.648681640625	104.0
860.7568969726562	148.0
863.0991821289062	128.0
863.6934814453125	100.0
863.9757690429688	140.0
865.0913696289062	96.0
866.0208740234375	104.0
866.589111328125	104.0
867.702880859375	136.0
868.2928466796875	116.0
868.3610229492188	124.0
869.8395385742188	108.0
870.0858764648438	108.0
870.2776489257812	148.0
870.490234375	156.0
871.372314453125	104.0
871.7265014648438	164.0
874.19921875	108.0
875.0518188476562	148.0
875.46728515625	100.0
876.930908203125	148.0
878.3165283203125	208.0
878.4699096679688	140.0
892.85107421875	152.0
893.6592407226562	116.0
897.9072875976562	144.0
908.4644165039062	152.0
909.064453125	144.0
915.7977905273438	164.0
927.8059692382812	112.0
928.8598022460938	148.0
930.6953125	152.0
942.3041381835938	128.0
953.1648559570312	160.0
971.5122680664062	96.0
979.10986328125	284.0
991.734130859375	112.0
1004.6776733398438	176.0
1009.6661376953125	140.0
1014.3699340820312	156.0
1017.6978149414062	112.0
1021.6429443359375	164.0
1029.4571533203125	200.0
1038.1217041015625	128.0
1040.95166015625	144.0
1050.479736328125	124.0
1058.2489013671875	124.0
1060.0050048828125	108.0
1062.481201171875	112.0
1062.5875244140625	140.0
1063.512939453125	104.0
1064.3724365234375	280.0
1064.76611328125	100.0
1069.89697265625	136.0
1072.3106689453125	120.0
1076.0009765625	144.0
1076.8890380859375	156.0
1084.3712158203125	140.0
1085.77685546875	156.0
1100.697998046875	152.0
1101.23681640625	148.0
1103.7744140625	144.0
1115.1282958984375	136.0
1116.2994384765625	96.0
1125.1236572265625	108.0
1129.3887939453125	96.0
1136.5089111328125	96.0
1146.20263671875	160.0
1146.994873046875	128.0
1148.7510986328125	144.0
1153.4951171875	148.0
1165.109619140625	116.0
1168.3990478515625	208.0
1178.0228271484375	144.0
1179.471435546875	156.0
1192.7763671875	108.0
1198.10498046875	128.0
1199.950439453125	116.0
1208.8458251953125	160.0
1219.8199462890625	176.0
1233.6500244140625	176.0
1236.90087890625	156.0
1240.2564697265625	124.0
1245.23193359375	96.0
1246.916748046875	148.0
1247.7003173828125	120.0
1253.1484375	100.0
1253.552978515625	152.0
1255.6845703125	148.0
1265.9434814453125	152.0
1271.1773681640625	96.0
1274.1571044921875	152.0
1277.4078369140625	156.0
1280.651611328125	168.0
1287.0513916015625	116.0
1291.0787353515625	168.0
1296.759521484375	124.0
1300.73974609375	176.0
1314.0069580078125	140.0
1317.356689453125	172.0
1328.178466796875	144.0
1349.26416015625	96.0
1351.4908447265625	152.0
1352.842041015625	96.0
1353.613525390625	160.0
1361.618408203125	156.0
1363.5950927734375	104.0
1366.3701171875	192.0
1367.6947021484375	156.0
1372.689697265625	260.0
1374.4378662109375	220.0
1378.2626953125	196.0
1378.679443359375	100.0
1379.2603759765625	196.0
1379.67626953125	136.0
1380.4393310546875	132.0
1383.7432861328125	172.0
1384.046875	172.0
1385.671630859375	108.0
1387.368408203125	104.0
1387.6439208984375	108.0
1393.421875	148.0
1394.5118408203125	204.0
1398.751708984375	120.0
1401.1741943359375	180.0
1402.74658203125	184.0
1403.313232421875	140.0
1407.5213623046875	168.0
1408.09228515625	100.0
1418.126953125	132.0
1421.42919921875	216.0
1430.58349609375	192.0
1439.9635009765625	160.0
1440.4468994140625	148.0
1441.330810546875	176.0
1445.4298095703125	160.0
1448.9044189453125	172.0
1450.3365478515625	148.0
1453.45703125	132.0
1454.956298828125	144.0
1459.9710693359375	188.0
1460.9979248046875	192.0
1462.3218994140625	212.0
1463.66943359375	164.0
1474.03564453125	264.0
1480.1397705078125	176.0
1480.7218017578125	208.0
1483.9830322265625	116.0
1485.1824951171875	144.0
1486.080078125	204.0
1486.3638916015625	164.0
1486.80908203125	144.0
1488.029541015625	148.0
1489.3887939453125	196.0
1491.9906005859375	108.0
1492.9677734375	232.0
1496.3944091796875	144.0
1498.543212890625	236.0
1499.1827392578125	184.0
1504.744140625	216.0
1515.3243408203125	160.0
1517.1611328125	164.0
1517.8087158203125	128.0
1522.626708984375	192.0
1525.148681640625	184.0
1525.3663330078125	172.0
1525.552978515625	160.0
1525.98046875	152.0
1528.2332763671875	124.0
1538.7734375	160.0
1542.8125	176.0
1547.6240234375	148.0
1549.7467041015625	184.0
1550.8687744140625	204.0
1553.4998779296875	164.0
1557.044189453125	116.0
1558.4951171875	164.0
1565.57470703125	176.0
1571.8731689453125	140.0
1572.8306884765625	120.0
1576.79296875	152.0
1577.0775146484375	152.0
1578.3740234375	144.0
1582.274658203125	216.0
1586.6220703125	208.0
1589.1302490234375	160.0
1590.33642578125	144.0
1594.585693359375	172.0
1599.612548828125	188.0
1600.6873779296875	140.0
1602.65478515625	144.0
1608.59619140625	192.0
1610.9227294921875	176.0
1614.21728515625	116.0
1616.0125732421875	172.0
1620.6884765625	220.0
1621.2493896484375	152.0
1624.7373046875	172.0
1631.6278076171875	240.0
1632.9144287109375	204.0
1633.9842529296875	156.0
1635.07861328125	148.0
1636.744873046875	192.0
1642.2261962890625	120.0
1643.4591064453125	176.0
1645.562255859375	104.0
1646.6268310546875	128.0
1648.0614013671875	164.0
1650.4053955078125	184.0
1652.83203125	200.0
1652.896728515625	156.0
1653.998779296875	272.0
1660.765869140625	144.0
1664.17138671875	164.0
1666.72998046875	152.0
1667.9246826171875	192.0
1669.510009765625	156.0
1678.116943359375	164.0
1679.8865966796875	160.0
1684.0086669921875	156.0
1686.3944091796875	176.0
1688.773681640625	140.0
1692.0059814453125	160.0
1695.6593017578125	184.0
1696.97900390625	176.0
1699.1114501953125	172.0
1700.12890625	172.0
1701.3929443359375	200.0
1703.089599609375	108.0
1703.22412109375	316.0
1706.3057861328125	180.0
1707.341796875	168.0
1708.4686279296875	164.0
1711.0938720703125	144.0
1711.587890625	216.0
1712.2137451171875	144.0
1716.2021484375	212.0
1716.94189453125	108.0
1717.043212890625	140.0
1718.6318359375	160.0
1719.26611328125	136.0
1719.683349609375	192.0
1720.7152099609375	140.0
1723.796142578125	156.0
1723.9283447265625	184.0
1733.757080078125	228.0
1734.580078125	152.0
1736.4373779296875	144.0
1737.32763671875	124.0
1742.47216796875	140.0
1742.821044921875	236.0
1744.433349609375	144.0
1748.725341796875	140.0
1750.709716796875	180.0
1751.7562255859375	144.0
1754.6292724609375	96.0
1755.71533203125	172.0
1757.708984375	144.0
1759.8123779296875	144.0
1760.5806884765625	148.0
1760.72265625	200.0
1767.16748046875	184.0
1768.6617431640625	120.0
1769.3115234375	152.0
1769.5611572265625	172.0
1770.2547607421875	228.0
1772.249755859375	152.0
1774.4205322265625	188.0
1779.2529296875	156.0
1779.5887451171875	144.0
1790.1497802734375	148.0
1790.427734375	144.0
1795.4842529296875	180.0
1796.5806884765625	152.0
1798.7060546875	140.0
1804.3165283203125	208.0
1804.984375	172.0
1807.361328125	160.0
1810.5009765625	180.0
1811.7867431640625	164.0
1816.58740234375	196.0
1816.7061767578125	140.0
1819.5745849609375	196.0
1820.7205810546875	96.0
1822.496337890625	248.0
1831.7779541015625	152.0
1834.095703125	144.0
1836.1845703125	200.0
1839.6488037109375	144.0
1853.3155517578125	152.0
1853.37548828125	148.0
1855.09814453125	172.0
1862.5035400390625	144.0
1863.3453369140625	160.0
1866.4136962890625	156.0
1870.4571533203125	192.0
1870.870361328125	204.0
1871.154541015625	160.0
1871.5419921875	168.0
1878.522705078125	168.0
1879.212890625	152.0
1880.093017578125	220.0
1880.533203125	172.0
1883.0628662109375	196.0
1884.4969482421875	140.0
1885.8795166015625	224.0
1887.82470703125	176.0
1892.696533203125	156.0
1895.13037109375	148.0
1895.3297119140625	144.0
1900.341552734375	204.0
1901.156982421875	148.0
1904.3779296875	160.0
1910.1319580078125	164.0
1913.047119140625	144.0
1919.1300048828125	136.0
1919.2938232421875	152.0
1922.608642578125	144.0
1923.5687255859375	176.0
1928.1192626953125	176.0
1928.93212890625	144.0
1930.2960205078125	152.0
1930.960693359375	140.0
1932.9639892578125	236.0
1936.5533447265625	164.0
1939.2781982421875	264.0
1941.715576171875	156.0
1942.3118896484375	152.0
1946.384033203125	204.0
1948.2197265625	156.0
1948.553466796875	156.0
1949.73095703125	208.0
1950.47802734375	176.0
1952.1485595703125	156.0
1960.2784423828125	188.0
1963.05908203125	160.0
1964.3115234375	192.0
1964.787841796875	160.0
1965.6500244140625	168.0
1968.371337890625	172.0
1968.4949951171875	140.0
1968.5770263671875	108.0
1972.6385498046875	228.0
1972.9656982421875	152.0
1974.7607421875	148.0
1975.8487548828125	196.0
1976.016845703125	148.0
1978.6187744140625	176.0
1979.2828369140625	140.0
1980.0975341796875	176.0
1980.894775390625	160.0
1981.2845458984375	196.0
1984.01318359375	156.0
1984.5054931640625	124.0
1985.3175048828125	184.0
1986.1600341796875	144.0
1987.6326904296875	192.0
1989.869384765625	148.0
1993.4537353515625	96.0
1994.6612548828125	128.0
1996.0712890625	184.0
1998.2503662109375	192.0
1998.8822021484375	156.0
1999.45166015625	176.0
1999.5584716796875	188.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078939
PEPMASS=278.216919
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Venlafaxine hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccc(cc1)C(CN(C)C)C2(O)CCCCC2
INCHI=InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
INCHIAUX=PNVNVHUZROJLTJ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078939
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078939
SCANS=1090
45.032997131347656	164.0
45.06105041503906	192.0
45.46693420410156	108.0
45.48020553588867	156.0
46.233619689941406	164.0
46.52775573730469	200.0
46.6309928894043	172.0
46.650020599365234	184.0
46.774967193603516	160.0
46.837501525878906	196.0
47.24049758911133	176.0
47.47196960449219	176.0
47.68669891357422	220.0
47.775516510009766	172.0
47.84983444213867	152.0
48.2181396484375	148.0
48.308013916015625	160.0
48.431209564208984	236.0
49.14158630371094	216.0
49.18484878540039	152.0
49.444820404052734	192.0
49.59468078613281	148.0
49.6451530456543	196.0
49.664791107177734	156.0
49.68162155151367	148.0
49.793914794921875	152.0
50.48447799682617	140.0
50.63307571411133	188.0
50.66423797607422	144.0
50.739349365234375	160.0
50.820735931396484	136.0
50.96501922607422	140.0
51.139244079589844	152.0
51.1926155090332	152.0
51.246742248535156	156.0
51.57353973388672	180.0
52.046302795410156	204.0
52.12065887451172	120.0
52.14973449707031	168.0
52.431827545166016	156.0
52.44912338256836	252.0
52.473628997802734	220.0
53.088165283203125	156.0
53.310272216796875	216.0
53.34660720825195	204.0
53.47687911987305	136.0
53.49498748779297	172.0
53.60859680175781	180.0
53.707733154296875	156.0
53.804046630859375	192.0
54.03898239135742	160.0
54.11692428588867	148.0
54.16671371459961	188.0
54.34263610839844	152.0
54.4072151184082	156.0
54.834083557128906	160.0
55.204341888427734	152.0
55.288665771484375	144.0
55.31974792480469	144.0
55.944725036621094	160.0
56.360836029052734	156.0
56.39969253540039	156.0
56.89853286743164	192.0
57.083343505859375	148.0
57.24736785888672	144.0
57.54441833496094	148.0
57.66526412963867	144.0
57.922489166259766	152.0
57.98438262939453	132.0
58.05434799194336	248.0
58.08013153076172	172.0
58.15903091430664	200.0
58.23798751831055	200.0
58.619850158691406	164.0
58.796749114990234	180.0
58.85170364379883	192.0
58.96474838256836	152.0
58.984615325927734	220.0
59.17501449584961	176.0
59.35051345825195	164.0
59.591487884521484	144.0
59.634517669677734	172.0
59.82063674926758	152.0
60.18293762207031	168.0
60.27098083496094	156.0
60.332801818847656	176.0
60.4859504699707	188.0
60.78237533569336	132.0
60.80989456176758	160.0
60.8238639831543	156.0
60.963645935058594	168.0
61.004058837890625	140.0
61.290428161621094	168.0
61.326271057128906	212.0
61.45102310180664	144.0
61.49315643310547	164.0
61.7744140625	180.0
62.26658630371094	164.0
62.718143463134766	168.0
62.77092742919922	164.0
62.904273986816406	164.0
63.350215911865234	168.0
63.49287033081055	144.0
63.57536315917969	164.0
63.65314865112305	196.0
64.5854721069336	208.0
65.05497741699219	176.0
65.1641845703125	140.0
65.58258819580078	192.0
65.64546203613281	220.0
66.15926361083984	152.0
66.30843353271484	136.0
67.2369384765625	152.0
67.36103057861328	200.0
67.87657165527344	192.0
68.15396881103516	212.0
68.9234619140625	144.0
68.93667602539062	144.0
68.9548568725586	148.0
69.11195373535156	176.0
69.3690185546875	164.0
69.45156860351562	164.0
69.57768249511719	188.0
69.69062042236328	188.0
69.70723724365234	208.0
70.34513092041016	148.0
70.4520034790039	140.0
70.71955108642578	144.0
71.12517547607422	216.0
71.37309265136719	148.0
71.8808364868164	232.0
71.9652328491211	192.0
72.0581283569336	144.0
72.37271881103516	148.0
72.79493713378906	192.0
72.87477111816406	192.0
73.02096557617188	164.0
73.32742309570312	220.0
73.38196563720703	160.0
73.43727111816406	204.0
73.94535064697266	164.0
74.14606475830078	216.0
74.49952697753906	176.0
74.81251525878906	144.0
75.04854583740234	164.0
75.0778579711914	140.0
75.281494140625	148.0
75.41279602050781	188.0
76.53172302246094	160.0
76.64994812011719	128.0
76.95890045166016	140.0
77.1143798828125	168.0
77.21578216552734	168.0
77.24376678466797	148.0
77.3907699584961	176.0
77.50988006591797	252.0
77.60978698730469	140.0
77.63609313964844	140.0
78.03996276855469	172.0
78.08920288085938	192.0
78.42997741699219	132.0
78.82964324951172	176.0
78.89857482910156	236.0
79.85789489746094	224.0
79.88279724121094	180.0
80.09819030761719	172.0
80.36024475097656	140.0
80.68708801269531	144.0
80.76289367675781	204.0
80.79438781738281	172.0
80.94115447998047	184.0
81.00025177001953	156.0
81.08625793457031	176.0
81.3815689086914	212.0
81.47923278808594	180.0
81.5241470336914	168.0
81.75727844238281	208.0
81.85334014892578	160.0
81.97943878173828	160.0
82.1020278930664	152.0
82.47874450683594	184.0
82.794189453125	172.0
82.9409408569336	144.0
83.1095962524414	156.0
83.39289093017578	140.0
83.90132141113281	168.0
84.05396270751953	152.0
84.52722930908203	188.0
84.71031951904297	144.0
84.80391693115234	144.0
85.0128402709961	144.0
85.53849029541016	160.0
85.62503051757812	140.0
85.78533172607422	144.0
86.09834289550781	180.0
86.60020446777344	204.0
86.67430877685547	372.0
86.73546600341797	184.0
86.75770568847656	164.0
86.8133316040039	212.0
86.90422821044922	280.0
87.58649444580078	164.0
87.90156555175781	164.0
88.00049591064453	180.0
88.27703857421875	168.0
88.38739776611328	180.0
88.5128173828125	152.0
88.61582946777344	184.0
88.68516540527344	164.0
88.7236557006836	128.0
88.89146423339844	232.0
88.91585540771484	148.0
89.00408935546875	180.0
89.20511627197266	176.0
89.29244995117188	132.0
90.15694427490234	176.0
90.35548400878906	156.0
90.68875885009766	156.0
90.84803771972656	148.0
90.88408660888672	152.0
90.9068603515625	176.0
90.97708129882812	184.0
91.020751953125	176.0
91.05552673339844	1292.0
91.19172668457031	192.0
91.30390167236328	168.0
91.50538635253906	180.0
92.05987548828125	344.0
92.13496398925781	180.0
92.15216064453125	168.0
92.16553497314453	204.0
92.64192199707031	156.0
92.86811065673828	180.0
93.07079315185547	184.0
93.17332458496094	156.0
93.52330017089844	176.0
93.58683013916016	172.0
93.6034164428711	196.0
93.85465240478516	192.0
93.87686920166016	208.0
94.0881118774414	164.0
94.15182495117188	184.0
94.30252075195312	156.0
94.401123046875	144.0
94.55201721191406	168.0
94.7088394165039	140.0
95.19656372070312	152.0
95.53105163574219	104.0
95.65447235107422	184.0
96.21981048583984	168.0
96.30601501464844	140.0
96.4405517578125	232.0
96.68502044677734	176.0
96.71633911132812	244.0
96.93960571289062	216.0
97.42816162109375	160.0
97.55196380615234	176.0
97.9356689453125	168.0
98.0992202758789	152.0
98.37342071533203	164.0
98.59858703613281	176.0
98.85963439941406	152.0
99.01801300048828	276.0
100.03665924072266	168.0
100.19945526123047	208.0
100.34540557861328	144.0
100.3733139038086	140.0
100.80847930908203	144.0
100.85350036621094	152.0
100.91242218017578	148.0
101.34874725341797	148.0
101.37680053710938	140.0
101.64952087402344	176.0
101.7980728149414	208.0
101.8250961303711	148.0
101.88644409179688	176.0
101.9346694946289	140.0
102.22825622558594	148.0
102.26448059082031	200.0
102.47077178955078	136.0
102.5323486328125	168.0
102.88937377929688	164.0
102.99236297607422	152.0
103.05404663085938	252.0
103.17826843261719	192.0
103.2085952758789	140.0
103.46959686279297	192.0
103.63218688964844	188.0
104.22003173828125	152.0
104.30538177490234	152.0
104.44161987304688	144.0
105.01396179199219	228.0
105.0445556640625	188.0
105.07003021240234	680.0
105.38140869140625	140.0
105.66764068603516	172.0
105.70037841796875	160.0
105.82727813720703	144.0
105.87847137451172	176.0
106.0403060913086	448.0
106.0756607055664	300.0
106.3040771484375	144.0
106.39518737792969	252.0
107.05040740966797	1072.0
107.08536529541016	1996.0
107.41795349121094	208.0
107.50666809082031	176.0
108.05216217041016	160.0
108.09027099609375	340.0
108.32363891601562	116.0
108.5140151977539	196.0
108.66375732421875	160.0
108.8023910522461	148.0
109.10065460205078	232.0
109.16600036621094	144.0
109.2159194946289	144.0
109.36156463623047	144.0
109.48856353759766	216.0
109.52188873291016	168.0
110.01818084716797	164.0
110.0641098022461	176.0
110.60767364501953	152.0
110.71235656738281	148.0
110.93025970458984	156.0
111.13578796386719	216.0
111.31076049804688	156.0
112.03773498535156	172.0
112.22602081298828	176.0
112.39404296875	196.0
112.8396987915039	148.0
112.95601654052734	140.0
113.21910095214844	200.0
113.38582611083984	140.0
113.45789337158203	160.0
113.71244049072266	152.0
114.15644836425781	140.0
114.42454528808594	164.0
114.57149505615234	152.0
115.05458068847656	552.0
115.11324310302734	236.0
115.13887023925781	180.0
115.18099212646484	104.0
116.00757598876953	152.0
116.05474090576172	156.0
116.20272827148438	156.0
116.2585220336914	180.0
116.32505798339844	208.0
116.37228393554688	156.0
116.5741958618164	148.0
116.71391296386719	216.0
116.92903137207031	156.0
116.99745178222656	168.0
117.0709457397461	684.0
117.13142395019531	364.0
117.19606018066406	152.0
117.49264526367188	220.0
117.55615997314453	164.0
117.60147857666016	148.0
117.63169860839844	200.0
117.89303588867188	172.0
117.9708480834961	148.0
118.02489471435547	148.0
118.21524810791016	152.0
118.23472595214844	248.0
118.26502990722656	184.0
118.29608154296875	184.0
118.55509185791016	116.0
118.64627838134766	204.0
118.67879486083984	148.0
118.73517608642578	140.0
118.81977081298828	156.0
118.90005493164062	152.0
119.04950714111328	228.0
119.08397674560547	648.0
119.16280364990234	192.0
119.33015441894531	344.0
119.79151916503906	160.0
119.89476776123047	124.0
120.05525207519531	164.0
120.46061706542969	220.0
120.4830551147461	188.0
120.6731948852539	168.0
120.76557159423828	216.0
120.80941009521484	156.0
120.87879943847656	148.0
120.91162872314453	156.0
120.93299865722656	152.0
121.06541442871094	52488.0
121.20842742919922	188.0
121.2861557006836	204.0
121.38426208496094	192.0
122.01577758789062	140.0
122.06907653808594	4824.0
122.10291290283203	180.0
122.23270416259766	176.0
122.4638671875	188.0
122.6092758178711	148.0
122.66217041015625	144.0
122.80549621582031	144.0
122.92110443115234	128.0
122.9720458984375	156.0
123.0722427368164	408.0
123.11138916015625	152.0
123.31551361083984	156.0
124.03043365478516	184.0
124.75032806396484	160.0
124.83634948730469	148.0
124.903076171875	148.0
125.4923095703125	180.0
127.05654907226562	404.0
127.40901184082031	260.0
127.6067886352539	176.0
128.0613555908203	176.0
128.11766052246094	164.0
128.16497802734375	148.0
128.85537719726562	172.0
129.00001525878906	156.0
129.0705108642578	504.0
129.298583984375	156.0
129.71177673339844	172.0
129.95799255371094	148.0
130.0771484375	256.0
130.21450805664062	148.0
130.36672973632812	148.0
130.55995178222656	228.0
130.924072265625	276.0
131.04913330078125	804.0
131.4301300048828	200.0
131.95986938476562	112.0
132.05776977539062	2388.0
132.14756774902344	412.0
132.93455505371094	152.0
133.0413818359375	188.0
133.0626983642578	868.0
133.14720153808594	132.0
133.3905487060547	168.0
133.6642303466797	160.0
133.68724060058594	184.0
133.9220733642578	152.0
134.07766723632812	188.0
134.1110076904297	168.0
134.2124481201172	208.0
134.52330017089844	184.0
134.60470581054688	176.0
134.75946044921875	192.0
135.04983520507812	140.0
135.07989501953125	3764.0
135.1528778076172	200.0
135.26129150390625	204.0
135.28675842285156	212.0
135.4187469482422	152.0
135.65003967285156	160.0
135.99838256835938	172.0
136.0855712890625	376.0
136.3444366455078	196.0
136.5406494140625	152.0
136.61415100097656	176.0
136.85154724121094	144.0
137.33392333984375	200.0
137.35865783691406	220.0
137.527587890625	148.0
137.57192993164062	156.0
138.01817321777344	152.0
138.22401428222656	180.0
138.3831787109375	236.0
138.48622131347656	196.0
138.54879760742188	156.0
139.06063842773438	160.0
139.3306884765625	144.0
139.50694274902344	144.0
139.53514099121094	180.0
139.55865478515625	156.0
139.76564025878906	328.0
139.89979553222656	184.0
139.94923400878906	212.0
140.04742431640625	132.0
140.2295684814453	160.0
140.3238525390625	216.0
140.36865234375	144.0
140.90206909179688	140.0
141.07090759277344	1100.0
141.1683807373047	180.0
141.97669982910156	144.0
142.0757598876953	600.0
142.26095581054688	144.0
142.32315063476562	156.0
142.8174591064453	192.0
143.0387420654297	268.0
143.05970764160156	240.0
143.0831298828125	296.0
143.376953125	188.0
143.94232177734375	164.0
144.05715942382812	1756.0
144.0862274169922	208.0
144.34376525878906	156.0
145.06639099121094	1284.0
145.3546142578125	180.0
145.7982635498047	156.0
146.07200622558594	508.0
146.104248046875	176.0
146.42919921875	152.0
146.5062713623047	144.0
146.59152221679688	168.0
146.71353149414062	176.0
146.7564239501953	212.0
146.90403747558594	180.0
146.93734741210938	124.0
147.08082580566406	37992.0
147.18426513671875	144.0
147.21771240234375	104.0
147.90200805664062	264.0
148.08367919921875	3244.0
148.14340209960938	168.0
148.3622589111328	164.0
148.40682983398438	156.0
148.5441436767578	168.0
148.9283905029297	120.0
149.01870727539062	148.0
149.03660583496094	212.0
149.08868408203125	632.0
149.16030883789062	160.0
149.23141479492188	220.0
149.25437927246094	116.0
149.3043670654297	164.0
149.39678955078125	172.0
150.1006622314453	180.0
150.77545166015625	188.0
150.91375732421875	156.0
151.0849609375	192.0
151.62118530273438	148.0
151.94485473632812	152.0
152.0675506591797	152.0
152.1043701171875	204.0
152.14303588867188	1768.0
153.07302856445312	180.0
153.1455535888672	188.0
153.1666259765625	168.0
153.6423797607422	184.0
153.8793182373047	176.0
154.07688903808594	232.0
154.239990234375	144.0
154.40415954589844	120.0
154.45758056640625	164.0
154.60107421875	140.0
154.65057373046875	144.0
155.0850372314453	400.0
155.52552795410156	148.0
156.0198516845703	152.0
156.2362060546875	164.0
156.40542602539062	184.0
156.5199432373047	156.0
157.10182189941406	336.0
157.34022521972656	188.0
157.8449249267578	220.0
158.0738525390625	2836.0
158.1939697265625	188.0
158.37974548339844	160.0
158.5032501220703	216.0
158.73887634277344	180.0
159.01483154296875	184.0
159.08029174804688	9388.0
159.31866455078125	364.0
159.7611083984375	160.0
160.08468627929688	2496.0
160.22015380859375	116.0
160.4111785888672	196.0
160.42816162109375	236.0
160.54443359375	160.0
160.81256103515625	172.0
160.84481811523438	136.0
160.99432373046875	204.0
161.06436157226562	156.0
161.09603881835938	1816.0
161.4839324951172	140.0
161.76478576660156	144.0
161.9470977783203	172.0
162.09193420410156	1668.0
162.63929748535156	144.0
162.6773681640625	164.0
162.8666534423828	140.0
162.94911193847656	160.0
163.09803771972656	2172.0
163.1483154296875	4608.0
163.37112426757812	168.0
163.68606567382812	116.0
163.77841186523438	152.0
163.812255859375	124.0
163.85227966308594	164.0
164.10296630859375	176.0
164.1501922607422	592.0
164.5970458984375	168.0
164.76560974121094	176.0
164.99818420410156	140.0
165.09022521972656	164.0
165.11767578125	196.0
165.15615844726562	128.0
165.80447387695312	144.0
166.18911743164062	212.0
166.53311157226562	144.0
167.7733917236328	228.0
167.89146423339844	176.0
168.02096557617188	180.0
168.04934692382812	300.0
168.08900451660156	292.0
168.1086883544922	144.0
168.25323486328125	164.0
168.36685180664062	156.0
169.0781707763672	332.0
169.09849548339844	308.0
169.14614868164062	204.0
169.47900390625	136.0
169.61651611328125	236.0
169.7487335205078	216.0
169.83432006835938	204.0
169.98219299316406	240.0
170.61593627929688	184.0
171.01132202148438	192.0
171.08294677734375	320.0
171.12326049804688	196.0
171.1779327392578	140.0
171.3193817138672	144.0
172.0112762451172	164.0
172.08950805664062	160.0
173.0963897705078	11924.0
173.17579650878906	180.0
173.2019805908203	172.0
173.26014709472656	200.0
173.3041534423828	144.0
173.33297729492188	192.0
173.5321044921875	160.0
173.8968048095703	204.0
174.10049438476562	2708.0
174.1914520263672	164.0
174.24867248535156	140.0
174.3545684814453	108.0
174.88894653320312	224.0
175.1020965576172	184.0
175.17996215820312	140.0
175.40719604492188	104.0
175.5489501953125	188.0
175.81275939941406	160.0
175.90249633789062	180.0
176.16128540039062	144.0
176.6185760498047	160.0
177.1146240234375	2064.0
177.48191833496094	176.0
178.12213134765625	2136.0
178.77406311035156	180.0
179.12315368652344	404.0
179.55612182617188	168.0
179.66281127929688	172.0
180.1139373779297	176.0
180.17398071289062	4292.0
180.33303833007812	184.0
180.72882080078125	224.0
180.99916076660156	152.0
181.17530822753906	988.0
181.55386352539062	164.0
181.98617553710938	184.0
182.5609130859375	184.0
182.8191680908203	156.0
183.115966796875	1648.0
183.77574157714844	140.0
184.1190643310547	444.0
184.30894470214844	160.0
184.88633728027344	252.0
185.0957794189453	224.0
185.12457275390625	172.0
185.27896118164062	140.0
185.4090118408203	140.0
185.47474670410156	160.0
185.52285766601562	156.0
185.92971801757812	176.0
186.10398864746094	496.0
186.1468963623047	148.0
186.3207244873047	148.0
186.40223693847656	172.0
186.62783813476562	152.0
187.0440673828125	152.0
187.1104278564453	656.0
187.61155700683594	212.0
187.8751983642578	168.0
188.04608154296875	180.0
188.11231994628906	128.0
189.1291961669922	300.0
189.1650390625	200.0
189.4224395751953	152.0
189.50189208984375	176.0
189.9803009033203	148.0
190.1267852783203	184.0
190.4110870361328	180.0
190.55819702148438	168.0
190.94302368164062	212.0
190.9622802734375	172.0
191.578857421875	172.0
191.80206298828125	192.0
192.11366271972656	168.0
192.14952087402344	188.0
193.0057373046875	176.0
194.36575317382812	232.0
194.9183349609375	156.0
195.51063537597656	168.0
195.75840759277344	144.0
195.90602111816406	320.0
196.015625	172.0
196.96043395996094	152.0
197.30136108398438	192.0
197.71253967285156	152.0
197.78810119628906	200.0
197.84689331054688	148.0
197.88047790527344	160.0
198.71006774902344	140.0
198.78616333007812	136.0
199.1132049560547	272.0
199.41505432128906	144.0
200.1201171875	496.0
200.92420959472656	180.0
201.76156616210938	136.0
202.0825653076172	172.0
203.0098114013672	284.0
203.45994567871094	164.0
203.64251708984375	116.0
204.2869110107422	148.0
204.37002563476562	120.0
204.68252563476562	316.0
204.88758850097656	172.0
204.92462158203125	160.0
205.39500427246094	144.0
205.70889282226562	168.0
206.5657196044922	188.0
206.96119689941406	116.0
207.909912109375	160.0
207.97592163085938	184.0
208.35498046875	224.0
208.55633544921875	160.0
208.86090087890625	168.0
209.1256103515625	156.0
209.229248046875	156.0
209.41641235351562	140.0
209.62384033203125	324.0
209.78524780273438	224.0
209.81118774414062	164.0
209.87173461914062	200.0
210.18612670898438	176.0
210.34774780273438	208.0
210.52386474609375	156.0
210.5585174560547	144.0
210.90066528320312	124.0
213.12542724609375	220.0
213.2471466064453	140.0
213.9196319580078	120.0
214.127197265625	332.0
214.51612854003906	120.0
214.79615783691406	156.0
214.82420349121094	124.0
215.14382934570312	55324.0
215.22476196289062	172.0
215.49234008789062	212.0
215.53317260742188	132.0
215.83717346191406	112.0
215.9505615234375	176.0
216.1468963623047	5956.0
216.19097900390625	224.0
216.41346740722656	140.0
216.56747436523438	224.0
217.15472412109375	924.0
217.20645141601562	156.0
217.26805114746094	172.0
217.9225311279297	104.0
218.02349853515625	156.0
218.16375732421875	144.0
218.3313446044922	172.0
218.4093475341797	176.0
218.7195281982422	128.0
218.87718200683594	148.0
219.10743713378906	192.0
219.1761932373047	196.0
219.36097717285156	160.0
219.86326599121094	144.0
220.8145751953125	192.0
221.4153594970703	148.0
222.23052978515625	156.0
223.12619018554688	204.0
223.25753784179688	172.0
223.3445587158203	152.0
223.5052032470703	156.0
223.5528106689453	160.0
223.64208984375	180.0
223.74032592773438	196.0
224.47030639648438	248.0
224.658203125	144.0
224.714599609375	124.0
224.91183471679688	176.0
225.01034545898438	160.0
225.08499145507812	144.0
225.49453735351562	192.0
225.87399291992188	180.0
226.59844970703125	140.0
226.7632598876953	248.0
227.31805419921875	164.0
227.48312377929688	152.0
228.16506958007812	140.0
229.04676818847656	176.0
229.70388793945312	168.0
229.80043029785156	156.0
230.1837615966797	184.0
230.3589324951172	164.0
230.58253479003906	156.0
230.6036834716797	192.0
231.65667724609375	272.0
231.974853515625	156.0
232.0233612060547	168.0
232.4250946044922	152.0
232.69839477539062	176.0
233.15057373046875	852.0
233.23760986328125	160.0
233.3470458984375	180.0
233.6937713623047	176.0
234.16043090820312	160.0
234.63487243652344	208.0
234.6927947998047	224.0
234.79037475585938	152.0
235.04966735839844	172.0
235.14427185058594	212.0
235.25721740722656	204.0
235.91705322265625	148.0
235.95068359375	168.0
236.17697143554688	220.0
236.63906860351562	140.0
237.18128967285156	176.0
238.08331298828125	156.0
238.14805603027344	144.0
239.16244506835938	216.0
239.53810119628906	168.0
240.4260711669922	216.0
240.65789794921875	196.0
240.88302612304688	168.0
242.06166076660156	136.0
242.1671142578125	140.0
242.3897247314453	172.0
243.23329162597656	236.0
243.4568328857422	152.0
244.06277465820312	140.0
244.21054077148438	148.0
244.78466796875	160.0
245.3810577392578	204.0
245.88511657714844	140.0
245.978759765625	180.0
246.20980834960938	140.0
246.42221069335938	168.0
246.54579162597656	164.0
246.65347290039062	176.0
246.775390625	148.0
247.4136199951172	176.0
247.60775756835938	160.0
248.16725158691406	168.0
248.57015991210938	276.0
248.80555725097656	140.0
249.1038818359375	164.0
249.99681091308594	180.0
250.1788330078125	144.0
250.3462371826172	224.0
250.38717651367188	156.0
250.63919067382812	216.0
251.16140747070312	184.0
251.25399780273438	208.0
251.2981719970703	240.0
251.40545654296875	156.0
252.14865112304688	156.0
252.24557495117188	148.0
253.07762145996094	176.0
253.4957275390625	176.0
253.5432586669922	168.0
253.7080841064453	140.0
253.90150451660156	156.0
254.8474578857422	252.0
255.07308959960938	204.0
255.295654296875	180.0
255.4355926513672	164.0
255.47694396972656	140.0
255.8365478515625	172.0
255.9925537109375	188.0
256.5301818847656	168.0
256.65216064453125	188.0
256.75421142578125	140.0
257.62994384765625	140.0
257.8592529296875	136.0
257.96368408203125	184.0
258.2489013671875	168.0
258.82171630859375	212.0
258.8675842285156	148.0
258.8879089355469	324.0
258.9259338378906	140.0
259.16845703125	144.0
259.2306213378906	232.0
259.2673034667969	192.0
259.32623291015625	248.0
259.40228271484375	132.0
259.4682922363281	232.0
259.57861328125	112.0
259.643798828125	252.0
259.6722106933594	112.0
259.74371337890625	116.0
259.79168701171875	136.0
259.8184814453125	244.0
259.8497314453125	424.0
259.89752197265625	132.0
259.985107421875	156.0
260.04840087890625	260.0
260.1005554199219	128.0
260.1480712890625	296.0
260.1557922363281	520.0
260.2029724121094	196084.0
260.3023986816406	204.0
260.38299560546875	96.0
260.4226379394531	212.0
260.45013427734375	324.0
260.50262451171875	324.0
260.5391845703125	336.0
260.6495666503906	172.0
260.6921691894531	304.0
260.73028564453125	4524.0
260.7581481933594	232.0
260.8449401855469	140.0
260.881591796875	200.0
260.9639892578125	132.0
261.0963439941406	164.0
261.16925048828125	244.0
261.20477294921875	50908.0
261.2613830566406	196.0
261.30712890625	220.0
261.4913024902344	184.0
261.5208435058594	172.0
261.5631408691406	280.0
261.7241516113281	108.0
261.77392578125	128.0
261.8331604003906	164.0
262.15924072265625	144.0
262.20709228515625	5856.0
262.261474609375	144.0
262.35235595703125	108.0
262.4015197753906	116.0
262.4753112792969	172.0
262.53057861328125	252.0
262.6110534667969	128.0
262.7299499511719	268.0
262.7613830566406	112.0
262.7950439453125	136.0
262.8231506347656	224.0
262.82891845703125	152.0
262.8738708496094	212.0
262.925048828125	320.0
262.964599609375	160.0
263.0061340332031	212.0
263.08477783203125	268.0
263.13848876953125	116.0
263.1872863769531	344.0
263.2129821777344	236.0
263.2826232910156	236.0
263.7488098144531	116.0
263.8802185058594	168.0
263.9859313964844	256.0
264.0809631347656	148.0
264.1244201660156	184.0
264.2787170410156	104.0
264.4801330566406	120.0
265.3398132324219	208.0
265.66412353515625	156.0
268.0863952636719	192.0
269.06817626953125	152.0
269.15960693359375	172.0
269.4306945800781	140.0
269.9536437988281	140.0
270.1368103027344	144.0
270.9176940917969	132.0
270.98651123046875	128.0
271.0744323730469	168.0
271.729736328125	152.0
272.41180419921875	212.0
274.6639709472656	144.0
274.7438659667969	96.0
275.0480041503906	180.0
275.0758056640625	148.0
275.2781677246094	124.0
275.8785095214844	220.0
276.193603515625	128.0
276.23724365234375	136.0
276.2975158691406	132.0
276.33209228515625	136.0
276.4444885253906	160.0
276.7115173339844	132.0
276.7611999511719	132.0
276.7830505371094	240.0
276.8441162109375	148.0
276.97650146484375	124.0
277.0498962402344	264.0
277.1199645996094	100.0
277.19866943359375	120.0
277.2275085449219	164.0
277.25592041015625	272.0
277.3240661621094	152.0
277.3602600097656	128.0
277.4760437011719	124.0
277.65460205078125	284.0
277.7187805175781	208.0
277.8188171386719	276.0
277.9341125488281	244.0
277.9616394042969	204.0
278.0423278808594	276.0
278.07452392578125	488.0
278.11419677734375	256.0
278.1442565917969	380.0
278.2137451171875	202324.0
278.2930908203125	176.0
278.33819580078125	176.0
278.42864990234375	348.0
278.51922607421875	384.0
278.5695495605469	276.0
278.6046447753906	140.0
278.7180480957031	348.0
278.7595520019531	5608.0
278.793212890625	456.0
278.82659912109375	460.0
278.86962890625	184.0
278.9062805175781	204.0
278.9656677246094	124.0
278.9979248046875	316.0
279.0448913574219	308.0
279.0958251953125	240.0
279.12811279296875	132.0
279.2158203125	63704.0
279.3400573730469	148.0
279.3772888183594	128.0
279.507568359375	136.0
279.53472900390625	252.0
279.57000732421875	188.0
279.7238464355469	132.0
279.75372314453125	204.0
279.8036193847656	208.0
279.8303527832031	252.0
280.0351257324219	128.0
280.1184387207031	116.0
280.1772766113281	172.0
280.21795654296875	6952.0
280.3309020996094	104.0
280.3962097167969	136.0
280.684814453125	96.0
280.7275085449219	140.0
280.7972412109375	128.0
280.8575744628906	136.0
280.88818359375	168.0
280.9542236328125	192.0
280.9859313964844	248.0
281.0580139160156	120.0
281.097412109375	440.0
281.153564453125	136.0
281.2143249511719	560.0
281.29840087890625	100.0
281.3717956542969	108.0
281.6346435546875	116.0
281.7006530761719	188.0
281.72503662109375	172.0
281.88970947265625	136.0
281.9833679199219	124.0
282.1432800292969	228.0
282.1690368652344	152.0
282.20538330078125	124.0
282.2629699707031	208.0
282.30224609375	204.0
283.52642822265625	112.0
285.8816223144531	152.0
291.8573913574219	104.0
311.10858154296875	208.0
318.41424560546875	148.0
337.508056640625	140.0
519.6710205078125	196.0
724.598876953125	144.0
878.5054931640625	144.0
1016.452392578125	180.0
1066.0030517578125	196.0
1130.288818359375	180.0
1231.83154296875	252.0
1317.9349365234375	168.0
1361.1373291015625	156.0
1371.5546875	164.0
1385.572998046875	148.0
1414.6392822265625	140.0
1435.23974609375	152.0
1446.0120849609375	196.0
1452.232421875	168.0
1458.91455078125	196.0
1470.5230712890625	204.0
1478.4713134765625	144.0
1487.906982421875	200.0
1498.389404296875	152.0
1505.81005859375	148.0
1515.2161865234375	184.0
1527.3651123046875	228.0
1539.625	164.0
1552.0513916015625	184.0
1552.474853515625	156.0
1561.553466796875	244.0
1565.071044921875	140.0
1569.6806640625	252.0
1586.0457763671875	180.0
1590.4490966796875	124.0
1597.8780517578125	144.0
1598.64990234375	172.0
1621.3779296875	180.0
1627.8358154296875	160.0
1628.71923828125	152.0
1638.5333251953125	144.0
1646.6966552734375	164.0
1658.2257080078125	180.0
1680.0338134765625	188.0
1687.6209716796875	180.0
1693.4393310546875	144.0
1694.52880859375	140.0
1710.2218017578125	172.0
1713.161376953125	160.0
1722.218505859375	152.0
1723.4990234375	144.0
1727.1695556640625	160.0
1748.367919921875	160.0
1748.6759033203125	176.0
1749.791259765625	148.0
1758.1099853515625	232.0
1768.5904541015625	188.0
1784.268798828125	144.0
1800.3033447265625	196.0
1802.803955078125	244.0
1810.421875	248.0
1810.5953369140625	164.0
1818.2254638671875	204.0
1823.142578125	204.0
1823.5589599609375	192.0
1831.361083984375	208.0
1834.871826171875	232.0
1839.0517578125	196.0
1848.7005615234375	144.0
1851.8939208984375	152.0
1856.6419677734375	164.0
1860.872314453125	140.0
1861.6966552734375	148.0
1863.7152099609375	148.0
1863.8355712890625	200.0
1864.5745849609375	220.0
1868.6331787109375	140.0
1873.4068603515625	140.0
1880.248779296875	156.0
1880.9910888671875	160.0
1882.1710205078125	228.0
1890.307861328125	180.0
1907.9583740234375	204.0
1910.8458251953125	140.0
1911.942138671875	160.0
1913.27392578125	156.0
1914.4130859375	164.0
1920.2623291015625	188.0
1929.614501953125	172.0
1932.168212890625	188.0
1937.4210205078125	172.0
1940.29541015625	192.0
1941.12841796875	156.0
1950.6015625	148.0
1953.4241943359375	212.0
1954.717529296875	164.0
1958.17724609375	176.0
1959.6307373046875	176.0
1960.5472412109375	180.0
1962.4158935546875	148.0
1964.6824951171875	164.0
1970.270751953125	148.0
1974.495849609375	224.0
1975.185791015625	160.0
1983.73974609375	140.0
1986.8345947265625	168.0
1991.859130859375	224.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078940
PEPMASS=399.08139
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=SULFASALAZINE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3)ccc1O
INCHI=InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)
INCHIAUX=NCEXYHBECQHGNR-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078940
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078940
SCANS=1233
45.228233337402344	140.0
46.13336181640625	144.0
48.2264518737793	148.0
48.89078903198242	184.0
49.74058532714844	180.0
50.27965545654297	200.0
50.715274810791016	152.0
52.86943817138672	156.0
52.99106979370117	144.0
53.93115997314453	156.0
54.49829864501953	180.0
56.81151580810547	152.0
57.42980194091797	136.0
59.03662872314453	160.0
59.195777893066406	176.0
61.94976806640625	152.0
62.44276428222656	248.0
62.80016326904297	180.0
63.858184814453125	252.0
65.23653411865234	176.0
65.59229278564453	148.0
65.99427032470703	164.0
67.18312072753906	180.0
67.97338104248047	208.0
68.85906219482422	168.0
69.31399536132812	212.0
69.37034606933594	244.0
69.96673583984375	164.0
70.07499694824219	152.0
70.61083221435547	156.0
71.21588134765625	168.0
71.4142074584961	184.0
71.79483795166016	152.0
72.824462890625	152.0
73.50651550292969	160.0
73.55259704589844	196.0
74.0484390258789	192.0
74.42742919921875	168.0
74.46692657470703	224.0
75.36270904541016	164.0
75.53040313720703	152.0
76.27428436279297	160.0
76.6484603881836	160.0
76.84200286865234	200.0
79.69261169433594	160.0
80.34370422363281	192.0
83.95732116699219	152.0
83.99562072753906	156.0
86.12673950195312	160.0
87.71510314941406	176.0
88.0658950805664	164.0
88.23983764648438	236.0
88.5559310913086	144.0
88.67396545410156	156.0
89.84165954589844	160.0
90.34606170654297	260.0
91.01914978027344	964.0
93.04277038574219	296.0
93.4213638305664	168.0
93.5926513671875	156.0
93.67572784423828	144.0
94.02252197265625	188.0
94.05278015136719	2116.0
95.06021881103516	1108.0
95.1781997680664	236.0
97.6031265258789	152.0
98.15249633789062	156.0
99.0081558227539	160.0
99.07351684570312	184.0
99.76809692382812	160.0
99.8635482788086	180.0
100.01277160644531	148.0
100.06652069091797	172.0
100.61078643798828	160.0
100.63275146484375	164.0
101.03446197509766	140.0
101.37484741210938	224.0
101.61345672607422	184.0
102.23836517333984	192.0
104.17741394042969	208.0
105.04052734375	184.0
105.38758087158203	144.0
105.42640686035156	196.0
105.970703125	208.0
106.01168060302734	140.0
106.02794647216797	292.0
106.3131332397461	148.0
107.01283264160156	192.0
107.14794158935547	144.0
107.63883209228516	156.0
108.52857971191406	156.0
108.97482299804688	160.0
109.02776336669922	344.0
109.45841979980469	152.0
110.46334075927734	176.0
110.48217010498047	172.0
110.92192840576172	160.0
112.03778076171875	212.0
112.09256744384766	172.0
114.63972473144531	140.0
115.05723571777344	692.0
115.64134979248047	196.0
115.97118377685547	176.0
116.06122589111328	156.0
117.04964447021484	160.0
117.62431335449219	216.0
118.50762176513672	188.0
118.95654296875	180.0
119.01311492919922	12172.0
119.2541275024414	160.0
120.01583862304688	928.0
120.0400390625	144.0
120.29312133789062	164.0
120.83509826660156	164.0
121.04004669189453	244.0
121.1891860961914	160.0
122.02210998535156	288.0
122.06338500976562	184.0
122.97102355957031	168.0
123.00386047363281	164.0
123.18741607666016	148.0
123.57872009277344	152.0
123.93962860107422	172.0
124.18791198730469	164.0
124.99211883544922	228.0
125.01214599609375	172.0
127.05289459228516	372.0
127.23839569091797	144.0
128.0623779296875	140.0
128.5258026123047	152.0
129.04737854003906	160.0
129.07241821289062	180.0
129.63380432128906	148.0
129.90133666992188	164.0
129.9898223876953	180.0
130.4827117919922	152.0
132.04202270507812	160.0
132.32386779785156	160.0
133.8622589111328	160.0
134.02374267578125	2672.0
134.17100524902344	176.0
135.0252227783203	364.0
136.20045471191406	196.0
137.02320861816406	3864.0
138.02783203125	220.0
138.1585693359375	172.0
138.2568359375	308.0
138.71591186523438	160.0
139.02638244628906	276.0
139.0542449951172	4256.0
139.2069549560547	132.0
139.26026916503906	260.0
140.0607147216797	408.0
141.032470703125	160.0
141.07052612304688	160.0
141.1503143310547	152.0
141.27093505859375	168.0
141.42710876464844	160.0
142.0417022705078	204.0
142.53936767578125	256.0
142.82228088378906	228.0
143.0488739013672	360.0
143.2459716796875	160.0
144.04747009277344	324.0
144.07017517089844	168.0
144.2577667236328	172.0
144.5710906982422	168.0
145.06277465820312	140.0
145.68121337890625	228.0
145.89027404785156	184.0
146.06201171875	168.0
146.26553344726562	176.0
147.0193634033203	10616.0
147.05853271484375	176.0
147.96609497070312	172.0
148.02037048339844	1164.0
148.8912811279297	168.0
149.03292846679688	296.0
149.15855407714844	160.0
149.52825927734375	156.0
149.8643035888672	140.0
150.39593505859375	144.0
150.65476989746094	208.0
151.00393676757812	2328.0
152.00851440429688	272.0
152.03219604492188	420.0
153.01893615722656	516.0
153.0384063720703	244.0
154.0303955078125	560.0
155.0605010986328	544.0
156.04515075683594	300.0
156.0714874267578	340.0
156.3706512451172	176.0
157.00584411621094	508.0
157.03749084472656	232.0
157.07699584960938	1056.0
157.1705780029297	256.0
158.0100860595703	160.0
158.058837890625	100.0
158.07763671875	256.0
158.4256591796875	152.0
159.00137329101562	328.0
159.05447387695312	484.0
159.81402587890625	168.0
160.51425170898438	140.0
161.01031494140625	164.0
161.38790893554688	164.0
164.24493408203125	148.0
165.02938842773438	7784.0
166.03233337402344	1028.0
167.03131103515625	140.0
167.0595703125	1092.0
168.0663299560547	876.0
169.01046752929688	304.0
169.07608032226562	1856.0
169.94744873046875	152.0
170.05477905273438	320.0
170.07997131347656	584.0
171.05406188964844	1480.0
171.0957794189453	152.0
172.04066467285156	408.0
172.07235717773438	144.0
172.99258422851562	160.0
173.40380859375	140.0
174.03826904296875	172.0
174.76934814453125	212.0
175.06678771972656	148.0
175.74423217773438	216.0
177.0354766845703	252.0
177.5695037841797	144.0
177.7352752685547	204.0
177.97021484375	152.0
178.06581115722656	140.0
179.0183563232422	156.0
179.0522918701172	156.0
180.05287170410156	160.0
180.12738037109375	172.0
181.06219482421875	504.0
181.6629638671875	192.0
182.0074462890625	168.0
182.044189453125	260.0
182.0702667236328	372.0
182.19544982910156	152.0
182.27874755859375	172.0
183.0543212890625	620.0
183.08116149902344	564.0
183.17733764648438	160.0
183.6949005126953	188.0
183.7488555908203	152.0
184.0613555908203	204.0
184.64564514160156	172.0
184.84312438964844	164.0
185.03671264648438	496.0
185.0691680908203	1236.0
185.7914276123047	196.0
186.0539093017578	896.0
186.30332946777344	184.0
186.66871643066406	148.0
187.06016540527344	200.0
187.0800018310547	288.0
188.4486083984375	152.0
188.5196533203125	156.0
189.08302307128906	172.0
190.2095184326172	160.0
190.22872924804688	180.0
191.30357360839844	180.0
191.6932830810547	176.0
194.03302001953125	148.0
194.90174865722656	208.0
195.05386352539062	872.0
196.0550994873047	312.0
196.08721923828125	148.0
196.76226806640625	156.0
197.06988525390625	668.0
197.74977111816406	132.0
198.040771484375	136.0
198.07569885253906	148.0
198.2228240966797	148.0
198.98947143554688	240.0
199.0511932373047	716.0
199.8902587890625	168.0
200.0574188232422	364.0
200.65919494628906	184.0
201.05662536621094	204.0
202.07164001464844	344.0
203.0553436279297	256.0
203.07742309570312	196.0
203.19326782226562	204.0
203.59632873535156	160.0
204.0850830078125	240.0
205.90599060058594	140.0
206.4852294921875	184.0
207.49696350097656	184.0
208.09063720703125	376.0
208.25453186035156	180.0
208.3062286376953	148.0
209.10121154785156	148.0
209.2667694091797	168.0
209.39634704589844	216.0
209.55189514160156	156.0
210.0415802001953	144.0
210.0717315673828	140.0
210.151611328125	152.0
211.04910278320312	608.0
211.076416015625	180.0
211.80810546875	144.0
212.05929565429688	696.0
213.06613159179688	8512.0
213.16505432128906	128.0
213.2472381591797	160.0
213.30828857421875	156.0
213.46142578125	108.0
213.84136962890625	104.0
213.9977569580078	176.0
214.06887817382812	1152.0
214.69126892089844	176.0
215.01800537109375	160.0
215.07371520996094	164.0
215.85641479492188	156.0
216.0160675048828	348.0
216.03945922851562	272.0
217.01341247558594	140.0
217.0638885498047	192.0
217.17135620117188	140.0
217.20361328125	188.0
217.38845825195312	164.0
219.07330322265625	180.0
219.58604431152344	236.0
219.84567260742188	172.0
219.90469360351562	192.0
220.078857421875	144.0
222.0437469482422	196.0
222.1030731201172	160.0
222.33152770996094	144.0
222.9284210205078	176.0
223.0056915283203	156.0
223.0512237548828	12492.0
223.14234924316406	128.0
223.41307067871094	152.0
224.0173797607422	188.0
224.05487060546875	3592.0
224.12904357910156	108.0
224.44357299804688	180.0
224.56434631347656	176.0
225.00149536132812	176.0
225.03030395507812	148.0
225.0610809326172	888.0
226.0621337890625	1228.0
226.298095703125	152.0
227.04905700683594	300.0
228.04638671875	120.0
228.07168579101562	168.0
228.48695373535156	184.0
228.95953369140625	148.0
229.0513916015625	128.0
230.0502471923828	156.0
230.082763671875	172.0
230.39227294921875	176.0
231.0901641845703	380.0
231.18748474121094	264.0
232.10113525390625	284.0
232.1326141357422	152.0
232.3661651611328	220.0
232.69395446777344	164.0
233.0413055419922	624.0
233.1101531982422	400.0
233.32586669921875	256.0
234.0413360595703	944.0
234.1104278564453	208.0
234.22967529296875	184.0
234.75083923339844	216.0
236.35452270507812	236.0
238.3844757080078	140.0
238.91331481933594	184.0
239.04522705078125	8128.0
239.101318359375	160.0
239.146728515625	140.0
239.86793518066406	144.0
240.04815673828125	1196.0
240.13002014160156	148.0
240.210205078125	148.0
241.06153869628906	4004.0
241.31271362304688	180.0
241.38218688964844	128.0
242.06857299804688	1376.0
242.82888793945312	140.0
243.08175659179688	352.0
243.5501251220703	172.0
244.07676696777344	268.0
245.0028076171875	148.0
245.05154418945312	180.0
245.10874938964844	152.0
246.67666625976562	156.0
246.97564697265625	192.0
247.0882568359375	160.0
248.0245819091797	248.0
250.7338409423828	164.0
250.8504638671875	208.0
251.0599822998047	152.0
251.68650817871094	224.0
252.80233764648438	140.0
253.00363159179688	212.0
253.08090209960938	156.0
255.03939819335938	5236.0
255.36573791503906	140.0
255.5518798828125	132.0
256.0440368652344	1248.0
257.0063171386719	164.0
257.05523681640625	5296.0
257.26165771484375	196.0
257.8717346191406	180.0
258.0584411621094	852.0
258.1338806152344	204.0
259.01568603515625	108.0
259.0805358886719	956.0
259.1997985839844	140.0
260.0928649902344	464.0
261.0455627441406	148.0
261.103515625	780.0
262.10369873046875	208.0
263.0915222167969	556.0
264.0899963378906	172.0
264.504150390625	168.0
265.1357421875	144.0
265.67071533203125	244.0
266.03387451171875	632.0
267.03802490234375	128.0
267.8226318359375	168.0
269.0242004394531	272.0
269.0585021972656	144.0
269.0846252441406	188.0
270.02899169921875	144.0
271.088134765625	260.0
271.6929931640625	160.0
272.0866394042969	112.0
272.4217834472656	232.0
272.9377746582031	300.0
273.0503845214844	6396.0
273.93621826171875	120.0
274.0525207519531	1048.0
274.3304138183594	168.0
274.6865539550781	208.0
275.0605163574219	120.0
275.0928039550781	324.0
277.90106201171875	188.0
278.8652038574219	220.0
279.5336608886719	144.0
280.80291748046875	184.0
284.2419128417969	164.0
285.0242919921875	172.0
286.3719787597656	132.0
286.5215148925781	144.0
287.0147399902344	656.0
287.0817565917969	1712.0
288.0067138671875	124.0
288.0898132324219	400.0
289.0082092285156	212.0
289.0707092285156	148.0
289.1064147949219	880.0
290.11175537109375	572.0
290.41229248046875	252.0
290.7278137207031	144.0
291.158935546875	176.0
291.9677734375	164.0
293.82757568359375	152.0
294.09716796875	160.0
294.3941955566406	140.0
295.251953125	204.0
296.18975830078125	332.0
296.7483215332031	144.0
297.3486328125	160.0
298.50634765625	188.0
299.5698547363281	144.0
299.9488830566406	196.0
300.06610107421875	192.0
300.0994873046875	128.0
301.4536437988281	148.0
303.08465576171875	116.0
304.08709716796875	236.0
304.1897888183594	160.0
304.2579345703125	164.0
304.97479248046875	288.0
305.0218505859375	2260.0
305.0964660644531	180.0
305.2990417480469	152.0
305.7642822265625	156.0
306.0256652832031	300.0
306.119384765625	152.0
307.02984619140625	164.0
307.0868225097656	192.0
312.5672912597656	148.0
313.9340515136719	208.0
314.0772399902344	120.0
315.08740234375	3344.0
316.0894470214844	512.0
316.4924011230469	232.0
317.0565490722656	164.0
317.1029052734375	5920.0
317.1546936035156	204.0
317.25506591796875	116.0
317.7115783691406	172.0
317.8712463378906	140.0
317.98883056640625	116.0
318.1054382324219	1584.0
319.1017761230469	156.0
320.2052001953125	124.0
320.8197326660156	148.0
322.9407653808594	196.0
323.3844299316406	212.0
323.46673583984375	200.0
323.9322509765625	156.0
326.1246337890625	196.0
329.5300598144531	180.0
330.2349548339844	164.0
331.9878234863281	144.0
332.0915832519531	1680.0
332.7243957519531	176.0
332.8569641113281	168.0
333.09783935546875	3624.0
333.4290466308594	208.0
333.981689453125	192.0
334.100341796875	676.0
335.02276611328125	140.0
335.113525390625	6028.0
335.163818359375	184.0
336.0107421875	172.0
336.07537841796875	140.0
336.1197814941406	1128.0
336.2750549316406	172.0
336.4267578125	160.0
337.1230163574219	316.0
338.8001708984375	156.0
339.30224609375	212.0
340.7923278808594	176.0
341.4466247558594	224.0
342.4698181152344	204.0
342.74609375	148.0
343.16998291015625	160.0
344.0295715332031	204.0
345.7705078125	140.0
345.7964172363281	160.0
349.093994140625	2316.0
349.15771484375	144.0
350.09515380859375	992.0
351.1054382324219	196.0
351.7546691894531	184.0
352.06829833984375	96.0
353.0734558105469	256.0
353.30548095703125	144.0
354.8597106933594	184.0
355.955322265625	180.0
357.39495849609375	204.0
357.5036926269531	152.0
358.1516418457031	148.0
358.1893005371094	192.0
358.8525695800781	208.0
360.4038391113281	144.0
363.0542297363281	412.0
364.0572814941406	144.0
365.1993713378906	164.0
366.5373840332031	172.0
367.107421875	168.0
368.5617370605469	140.0
369.1419372558594	132.0
369.2460021972656	176.0
370.4593811035156	196.0
371.1645812988281	144.0
372.4002685546875	148.0
375.8235168457031	148.0
376.52899169921875	184.0
376.6332702636719	152.0
377.22698974609375	144.0
377.93218994140625	176.0
378.38116455078125	208.0
378.46246337890625	144.0
378.8047790527344	156.0
379.0628662109375	192.0
379.3109130859375	144.0
379.5610046386719	140.0
379.9132995605469	112.0
379.9645080566406	124.0
380.28607177734375	112.0
380.4183044433594	108.0
380.4615173339844	188.0
380.58489990234375	184.0
380.6690368652344	260.0
380.7157897949219	200.0
380.7682189941406	304.0
380.8461608886719	188.0
380.9114074707031	248.0
381.066650390625	120028.0
381.1720886230469	184.0
381.2138977050781	244.0
381.3057861328125	156.0
381.35906982421875	168.0
381.4316711425781	132.0
381.47479248046875	124.0
381.5348205566406	108.0
381.6029968261719	204.0
381.7054748535156	772.0
381.7549743652344	116.0
381.8424377441406	124.0
381.9850158691406	188.0
382.0684509277344	22292.0
382.1746520996094	176.0
382.2118225097656	184.0
382.2677917480469	268.0
382.3725891113281	96.0
382.42242431640625	116.0
382.4847412109375	116.0
382.53863525390625	112.0
382.6301574707031	136.0
382.66009521484375	120.0
382.7258605957031	156.0
383.0658874511719	5224.0
383.144775390625	152.0
383.2356872558594	144.0
383.2630615234375	164.0
383.5945739746094	152.0
383.9359436035156	108.0
384.0625	928.0
384.17364501953125	128.0
384.39495849609375	140.0
384.42919921875	144.0
384.56756591796875	196.0
384.6749267578125	260.0
384.757568359375	156.0
384.94573974609375	252.0
385.2442932128906	156.0
385.3458557128906	128.0
385.55938720703125	100.0
386.4024963378906	104.0
387.3380126953125	148.0
387.9471740722656	112.0
389.5268249511719	156.0
390.1673583984375	176.0
390.7820129394531	120.0
390.9203796386719	144.0
391.1036071777344	168.0
392.19464111328125	196.0
392.3759765625	148.0
393.8415832519531	128.0
394.5393981933594	156.0
395.7411804199219	116.0
395.7725830078125	180.0
396.1841735839844	176.0
396.3424987792969	132.0
396.6553039550781	116.0
397.1141357421875	108.0
397.3133239746094	144.0
397.3510437011719	108.0
397.40948486328125	104.0
397.4964904785156	132.0
397.556884765625	112.0
397.655029296875	192.0
397.7484436035156	108.0
397.7899475097656	128.0
397.82769775390625	136.0
397.9022216796875	240.0
397.9572448730469	156.0
398.03448486328125	224.0
398.1230773925781	132.0
398.162841796875	104.0
398.19903564453125	160.0
398.27117919921875	196.0
398.31915283203125	120.0
398.40618896484375	196.0
398.4537353515625	164.0
398.51873779296875	148.0
398.5984802246094	272.0
398.6357421875	176.0
398.6674499511719	308.0
398.7206115722656	240.0
398.7730407714844	212.0
398.8673095703125	328.0
398.9067687988281	300.0
398.963623046875	276.0
399.01080322265625	640.0
399.07794189453125	195380.0
399.2005615234375	120.0
399.2287902832031	260.0
399.33599853515625	176.0
399.4747009277344	292.0
399.5482482910156	164.0
399.5757141113281	344.0
399.67071533203125	168.0
399.7330322265625	3692.0
399.83447265625	196.0
399.9151611328125	316.0
399.9785461425781	132.0
400.07916259765625	69844.0
400.228271484375	112.0
400.31793212890625	180.0
400.3596496582031	208.0
400.39129638671875	108.0
400.52630615234375	144.0
400.6027526855469	116.0
400.6891784667969	236.0
400.7367858886719	112.0
400.8382568359375	116.0
400.94464111328125	100.0
401.0755920410156	19480.0
401.19219970703125	124.0
401.2305908203125	264.0
401.2825927734375	104.0
401.3348693847656	128.0
401.3753662109375	96.0
401.4520263671875	124.0
401.4935607910156	252.0
401.6912536621094	184.0
401.9679260253906	120.0
402.01361083984375	164.0
402.0754699707031	2224.0
402.1830139160156	1652.0
402.3102722167969	112.0
402.3626708984375	252.0
402.4522399902344	312.0
402.4929504394531	268.0
402.52374267578125	228.0
402.5603332519531	172.0
402.6156921386719	112.0
402.7016296386719	172.0
402.73944091796875	248.0
402.81793212890625	120.0
402.9862365722656	112.0
403.0377502441406	140.0
403.0842590332031	120.0
403.1342468261719	96.0
403.1944580078125	100.0
403.3827819824219	144.0
403.5113525390625	200.0
403.61956787109375	132.0
403.706787109375	180.0
403.8170166015625	128.0
404.2915954589844	112.0
404.344482421875	168.0
404.79595947265625	104.0
405.23516845703125	140.0
405.83465576171875	140.0
405.9472961425781	200.0
406.1562805175781	120.0
412.3257141113281	160.0
430.6883850097656	124.0
434.0711975097656	148.0
516.6494140625	152.0
522.2151489257812	156.0
536.0226440429688	152.0
655.274169921875	160.0
734.2047119140625	140.0
801.9795532226562	160.0
944.05029296875	188.0
1000.9282836914062	160.0
1130.28271484375	208.0
1183.3990478515625	192.0
1229.8072509765625	224.0
1252.2576904296875	200.0
1312.9114990234375	208.0
1329.0115966796875	208.0
1355.892822265625	196.0
1360.614501953125	200.0
1406.484619140625	164.0
1414.684814453125	184.0
1434.34326171875	204.0
1455.701416015625	140.0
1474.8927001953125	168.0
1505.5096435546875	192.0
1542.954345703125	172.0
1581.98291015625	172.0
1626.0302734375	168.0
1654.3870849609375	172.0
1665.87109375	140.0
1681.98486328125	148.0
1689.183837890625	168.0
1703.47998046875	180.0
1738.7532958984375	168.0
1769.0098876953125	160.0
1799.130615234375	180.0
1801.2738037109375	156.0
1802.25048828125	116.0
1809.65625	156.0
1814.510986328125	144.0
1816.656494140625	228.0
1832.9208984375	152.0
1843.4080810546875	204.0
1847.2127685546875	140.0
1847.392333984375	164.0
1869.6236572265625	140.0
1899.4664306640625	148.0
1899.7794189453125	232.0
1906.047119140625	216.0
1929.4317626953125	180.0
1935.9066162109375	164.0
1975.7705078125	140.0
1992.66845703125	164.0
1996.143798828125	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078941
PEPMASS=180.177338
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(3R,5S)-3,5-dimethyladamantan-1-amine" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@@]1(C[C@@H]2C[C@]3(C)C1)C[C@](N)(C2)C3
INCHI=InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/t9-,10+,11-,12-
INCHIAUX=BUGYDGFZZOZRHP-CDECOKDKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078941
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078941
SCANS=1093
44.89686584472656	168.0
45.099365234375	212.0
45.19743347167969	148.0
45.2456169128418	152.0
45.29114532470703	160.0
45.539119720458984	164.0
45.55405807495117	188.0
45.71002197265625	192.0
45.74501419067383	152.0
45.87568283081055	160.0
46.01869201660156	156.0
46.13217544555664	168.0
46.27287292480469	164.0
46.43684005737305	140.0
46.56577682495117	184.0
46.71361541748047	204.0
46.865055084228516	192.0
46.92775344848633	200.0
46.9904899597168	212.0
47.1502571105957	152.0
47.337677001953125	152.0
47.369720458984375	192.0
47.447288513183594	152.0
47.47882843017578	208.0
47.548797607421875	176.0
47.77276611328125	160.0
47.86222457885742	148.0
47.909053802490234	144.0
48.10625457763672	156.0
48.208465576171875	248.0
48.705848693847656	168.0
48.73224639892578	144.0
48.790618896484375	196.0
48.9756965637207	156.0
49.123451232910156	148.0
49.30915832519531	152.0
49.803749084472656	172.0
49.96681594848633	244.0
50.354461669921875	176.0
50.478824615478516	252.0
50.58210372924805	152.0
50.78472900390625	192.0
50.95649337768555	176.0
51.01902770996094	196.0
51.06168746948242	160.0
51.09724807739258	180.0
51.29070281982422	208.0
51.79819107055664	164.0
51.82684326171875	164.0
51.98457717895508	164.0
52.37563705444336	200.0
52.40235137939453	132.0
52.456329345703125	140.0
52.63956069946289	152.0
52.983802795410156	224.0
54.59529113769531	192.0
54.670318603515625	156.0
55.461952209472656	300.0
55.906028747558594	160.0
55.95915985107422	144.0
56.01322555541992	156.0
56.02961349487305	176.0
56.425106048583984	148.0
56.463985443115234	180.0
56.59267807006836	256.0
56.760494232177734	140.0
56.86250686645508	204.0
57.079368591308594	180.0
57.586700439453125	172.0
57.88462448120117	176.0
57.94975662231445	164.0
58.0177116394043	172.0
58.09226608276367	144.0
58.15751647949219	152.0
58.29875946044922	160.0
58.326114654541016	192.0
58.4538688659668	144.0
58.55738830566406	208.0
58.71589279174805	152.0
58.74428939819336	188.0
58.78525161743164	180.0
58.816749572753906	156.0
58.903629302978516	176.0
59.40879440307617	200.0
59.50855255126953	176.0
59.56230163574219	168.0
59.8714485168457	248.0
60.0101318359375	220.0
60.230812072753906	208.0
60.36372756958008	184.0
60.45035171508789	148.0
60.552528381347656	140.0
60.68889617919922	156.0
60.73231887817383	140.0
60.849796295166016	148.0
61.05536651611328	200.0
61.28886795043945	236.0
61.31536102294922	148.0
61.34832000732422	192.0
61.44790267944336	160.0
61.50252151489258	152.0
62.056312561035156	176.0
62.08767318725586	240.0
62.31528091430664	164.0
62.49137496948242	172.0
62.724449157714844	164.0
62.75124740600586	144.0
62.85850524902344	152.0
62.88059997558594	156.0
62.901119232177734	168.0
63.01008224487305	160.0
63.153934478759766	212.0
63.61980438232422	196.0
63.87247085571289	156.0
63.92815399169922	384.0
64.04596710205078	224.0
64.08858489990234	176.0
64.11607360839844	188.0
64.33778381347656	176.0
64.68948364257812	228.0
64.74231719970703	224.0
65.1561508178711	236.0
65.28152465820312	156.0
65.86219024658203	180.0
65.94412994384766	144.0
65.99747467041016	156.0
66.18031311035156	160.0
66.374755859375	188.0
66.6523208618164	152.0
66.73358917236328	140.0
66.99724578857422	152.0
67.1194839477539	144.0
67.29080200195312	156.0
67.31477355957031	264.0
67.4443588256836	144.0
67.86344909667969	184.0
68.01930236816406	144.0
68.2032699584961	168.0
68.4714584350586	212.0
68.68407440185547	232.0
68.90363311767578	200.0
68.95651245117188	156.0
69.02759552001953	152.0
69.39021301269531	232.0
70.10662078857422	160.0
70.12995147705078	152.0
70.54224395751953	140.0
70.55394744873047	160.0
70.6325454711914	196.0
70.71788024902344	216.0
71.00102233886719	168.0
71.16714477539062	200.0
71.19905090332031	180.0
71.33346557617188	180.0
71.37381744384766	164.0
71.47810363769531	168.0
71.52523040771484	248.0
71.68522644042969	168.0
71.78131103515625	172.0
72.13248443603516	216.0
72.23563385009766	152.0
72.2779312133789	180.0
72.35748291015625	172.0
72.82720184326172	224.0
72.90705871582031	192.0
72.93084716796875	168.0
73.00395202636719	168.0
73.1281509399414	160.0
73.24563598632812	236.0
73.57475280761719	148.0
73.90290069580078	160.0
73.97820281982422	148.0
74.01929473876953	140.0
74.35357666015625	156.0
74.51193237304688	200.0
75.11925506591797	212.0
75.328125	144.0
75.46119689941406	160.0
75.5511245727539	164.0
75.73461151123047	188.0
75.79178619384766	160.0
75.8403091430664	164.0
76.30152130126953	372.0
76.3472671508789	176.0
76.53346252441406	172.0
76.62577819824219	172.0
76.79486083984375	152.0
76.8943099975586	216.0
77.01129150390625	140.0
77.96688079833984	164.0
78.2669448852539	232.0
78.47224426269531	140.0
78.73424530029297	172.0
78.75367736816406	196.0
79.1586685180664	172.0
79.25077056884766	188.0
79.90058898925781	152.0
80.0875015258789	160.0
80.24966430664062	196.0
80.3834457397461	176.0
80.45661926269531	148.0
80.49054718017578	160.0
80.66563415527344	140.0
80.82122802734375	164.0
81.15796661376953	152.0
81.43252563476562	160.0
81.62841033935547	172.0
81.70215606689453	172.0
81.86595153808594	184.0
81.99385833740234	160.0
82.20845794677734	196.0
82.2806625366211	140.0
82.37095642089844	204.0
82.3980484008789	316.0
82.7199478149414	156.0
82.7959976196289	172.0
82.82316589355469	152.0
82.99351501464844	160.0
83.03522491455078	224.0
83.46015930175781	160.0
83.71581268310547	212.0
84.0868148803711	144.0
84.42113494873047	184.0
84.53455352783203	192.0
84.71581268310547	196.0
84.80193328857422	148.0
84.8499755859375	212.0
85.38209533691406	164.0
85.64712524414062	212.0
85.82220458984375	144.0
85.92364501953125	224.0
86.01222229003906	168.0
86.05652618408203	160.0
86.16179656982422	204.0
86.34294891357422	200.0
86.42063903808594	144.0
86.64466094970703	232.0
86.8986587524414	192.0
86.91350555419922	180.0
87.16231536865234	180.0
87.2292251586914	200.0
87.29058074951172	160.0
87.47944641113281	156.0
87.67219543457031	208.0
87.75679779052734	176.0
87.88013458251953	132.0
87.99534606933594	180.0
88.34436798095703	168.0
88.87832641601562	144.0
89.08296966552734	144.0
89.11114501953125	236.0
89.30477142333984	164.0
89.32734680175781	180.0
89.4101333618164	248.0
89.55296325683594	120.0
89.57205200195312	192.0
89.71338653564453	192.0
89.80200958251953	148.0
89.8510513305664	204.0
89.93596649169922	160.0
90.126708984375	164.0
90.1550521850586	144.0
90.44961547851562	140.0
90.52772521972656	204.0
90.6425552368164	168.0
90.7626953125	216.0
91.05476379394531	3168.0
91.20965576171875	176.0
91.37237548828125	172.0
91.42755889892578	188.0
91.58177185058594	192.0
91.7513656616211	192.0
91.84889221191406	168.0
91.94020080566406	168.0
92.0610122680664	520.0
92.7396469116211	144.0
93.00806427001953	140.0
93.07089233398438	1092.0
93.37899780273438	144.0
93.4424819946289	160.0
93.45979309082031	144.0
93.6773452758789	256.0
93.84501647949219	184.0
94.07350158691406	184.0
95.08509826660156	1668.0
95.26798248291016	128.0
95.3413314819336	192.0
95.41325378417969	160.0
95.45213317871094	168.0
96.08709716796875	292.0
96.41514587402344	144.0
96.56568145751953	140.0
96.64392852783203	152.0
96.66153717041016	160.0
96.68651580810547	168.0
96.70459747314453	176.0
97.45173645019531	196.0
97.52837371826172	152.0
97.79784393310547	192.0
97.88052368164062	188.0
98.02235412597656	164.0
98.52153015136719	200.0
98.58277893066406	164.0
99.48992919921875	184.0
99.63653564453125	156.0
99.8629150390625	164.0
100.1780014038086	204.0
100.21784210205078	168.0
100.57880401611328	176.0
101.00241088867188	144.0
101.2225570678711	168.0
101.37689208984375	176.0
101.41487884521484	248.0
101.47502136230469	168.0
101.57128143310547	160.0
101.87037658691406	196.0
102.0613021850586	180.0
102.2403335571289	192.0
102.39938354492188	152.0
102.61701202392578	148.0
103.0522689819336	188.0
103.0832748413086	208.0
103.29151916503906	156.0
103.62757110595703	184.0
103.87287139892578	188.0
104.26473236083984	148.0
104.42738342285156	164.0
104.5698013305664	168.0
105.07003021240234	4744.0
105.10780334472656	160.0
105.28335571289062	160.0
105.40184020996094	176.0
105.561279296875	168.0
105.78224182128906	188.0
106.04442596435547	144.0
106.0744857788086	856.0
106.35618591308594	144.0
106.37260437011719	144.0
106.68896484375	148.0
106.87406158447266	164.0
106.90081024169922	144.0
107.08616638183594	65836.0
107.20146942138672	180.0
107.22891998291016	124.0
107.686279296875	172.0
107.80148315429688	152.0
107.95494842529297	140.0
107.98596954345703	160.0
108.04905700683594	144.0
108.0889892578125	3156.0
108.19640350341797	172.0
108.69526672363281	120.0
108.73091888427734	184.0
108.7704849243164	188.0
108.86883544921875	160.0
108.90829467773438	176.0
108.93850708007812	308.0
109.01729583740234	120.0
109.07164764404297	156.0
109.09905242919922	532.0
109.90338897705078	168.0
110.06529998779297	148.0
110.10553741455078	184.0
110.40890502929688	244.0
110.98057556152344	164.0
111.0078353881836	184.0
111.02880859375	160.0
111.1777572631836	148.0
111.6546401977539	216.0
111.75350952148438	144.0
112.06718444824219	180.0
113.15282440185547	200.0
113.19940185546875	212.0
113.39854431152344	184.0
113.65726470947266	176.0
114.25003051757812	168.0
114.5198974609375	216.0
114.69082641601562	196.0
115.77403259277344	168.0
116.74617004394531	184.0
116.8357162475586	380.0
117.32537078857422	208.0
117.65760040283203	176.0
117.70294189453125	156.0
118.36677551269531	184.0
118.4750747680664	168.0
118.88184356689453	112.0
119.08382415771484	720.0
119.12586975097656	144.0
119.27363586425781	152.0
119.40843963623047	160.0
120.09310150146484	180.0
120.31708526611328	184.0
120.4666748046875	104.0
120.60105895996094	172.0
121.02764892578125	164.0
121.10107421875	7204.0
121.22237396240234	232.0
121.85891723632812	140.0
122.10435485839844	760.0
122.22721862792969	140.0
122.73474884033203	100.0
122.80990600585938	168.0
122.90255737304688	148.0
122.97428131103516	116.0
123.08201599121094	192.0
123.49681091308594	168.0
123.9284896850586	148.0
124.23222351074219	192.0
124.32762908935547	184.0
124.3431625366211	208.0
124.78298950195312	188.0
125.06550598144531	216.0
125.09889221191406	280.0
125.14787292480469	468.0
126.28598022460938	140.0
126.31729125976562	160.0
126.4299087524414	120.0
126.5388412475586	168.0
127.3371353149414	152.0
127.5056381225586	172.0
127.53485107421875	152.0
127.78671264648438	140.0
127.8024673461914	160.0
128.04783630371094	168.0
128.0951385498047	196.0
128.1446990966797	152.0
128.18075561523438	156.0
128.26412963867188	168.0
128.30020141601562	248.0
128.61907958984375	144.0
128.7447052001953	156.0
128.77406311035156	168.0
129.2510528564453	220.0
129.57029724121094	148.0
129.6405487060547	140.0
130.00111389160156	160.0
130.26220703125	172.0
130.4334716796875	228.0
130.475830078125	148.0
130.70782470703125	224.0
130.86683654785156	144.0
131.0220184326172	184.0
131.1040496826172	204.0
131.30923461914062	164.0
131.35256958007812	236.0
131.63099670410156	164.0
131.83201599121094	144.0
132.54139709472656	184.0
133.1071014404297	204.0
133.4457244873047	164.0
133.71485900878906	176.0
133.88983154296875	172.0
133.92898559570312	144.0
134.3346710205078	200.0
134.69015502929688	152.0
134.76870727539062	196.0
134.83802795410156	148.0
135.11692810058594	3820.0
135.451171875	156.0
135.6945037841797	168.0
135.8722686767578	144.0
135.93804931640625	164.0
135.9798126220703	180.0
136.11985778808594	596.0
136.686279296875	148.0
136.7793731689453	176.0
136.89344787597656	168.0
137.04563903808594	216.0
137.1251983642578	172.0
137.37591552734375	212.0
137.7003631591797	192.0
138.2825164794922	148.0
138.4803466796875	132.0
138.93699645996094	196.0
139.0383758544922	192.0
139.1381072998047	176.0
139.302490234375	196.0
139.34007263183594	148.0
139.51634216308594	152.0
139.71388244628906	140.0
139.89599609375	216.0
140.11410522460938	148.0
140.2177734375	212.0
140.47006225585938	184.0
140.58567810058594	188.0
141.33238220214844	248.0
141.40338134765625	200.0
141.6046142578125	180.0
141.95535278320312	160.0
142.064453125	160.0
142.0881805419922	172.0
142.85789489746094	144.0
143.41270446777344	148.0
143.5676727294922	148.0
143.71080017089844	200.0
143.93276977539062	180.0
144.02590942382812	240.0
144.18121337890625	188.0
144.379638671875	152.0
144.52316284179688	216.0
144.90145874023438	148.0
145.2442626953125	140.0
145.26344299316406	148.0
145.56825256347656	140.0
145.68113708496094	248.0
145.7027587890625	156.0
146.13551330566406	144.0
146.63157653808594	172.0
146.79490661621094	164.0
146.85096740722656	156.0
146.8726806640625	168.0
147.96063232421875	224.0
148.006103515625	164.0
148.1428680419922	128.0
148.20230102539062	176.0
148.2386474609375	152.0
148.5893096923828	148.0
149.32913208007812	152.0
150.14944458007812	180.0
150.2616424560547	208.0
150.46420288085938	144.0
152.79244995117188	200.0
152.93270874023438	188.0
152.98440551757812	152.0
153.3612823486328	192.0
154.41799926757812	176.0
154.46746826171875	172.0
154.82635498046875	180.0
155.03445434570312	140.0
155.3617401123047	144.0
157.5500030517578	144.0
157.59747314453125	140.0
157.68743896484375	140.0
157.7499237060547	192.0
158.030029296875	140.0
158.08506774902344	160.0
158.52330017089844	176.0
158.92198181152344	152.0
159.0123291015625	152.0
159.40408325195312	144.0
159.42921447753906	152.0
160.4183807373047	200.0
160.83457946777344	268.0
160.91030883789062	160.0
160.94308471679688	180.0
161.12933349609375	632.0
161.34738159179688	148.0
161.55728149414062	140.0
161.75587463378906	208.0
161.863525390625	140.0
162.0762939453125	152.0
162.1675262451172	156.0
162.24610900878906	140.0
162.4306182861328	168.0
162.548095703125	244.0
162.5850830078125	188.0
162.72959899902344	168.0
162.7865447998047	164.0
162.8108673095703	288.0
162.838134765625	168.0
162.92164611816406	408.0
162.9432830810547	136.0
162.9613494873047	104.0
162.9707489013672	172.0
163.00709533691406	316.0
163.01414489746094	516.0
163.0558624267578	176.0
163.09378051757812	232.0
163.14968872070312	234736.0
163.2391815185547	176.0
163.3006591796875	136.0
163.32339477539062	136.0
163.3577880859375	124.0
163.41091918945312	208.0
163.43167114257812	196.0
163.4858856201172	120.0
163.52626037597656	164.0
163.5670166015625	3476.0
163.5938720703125	128.0
163.6259307861328	120.0
163.658203125	236.0
163.6878204345703	96.0
163.74339294433594	320.0
163.80535888671875	96.0
163.88865661621094	136.0
163.95272827148438	152.0
163.9709930419922	164.0
164.0231170654297	136.0
164.06884765625	168.0
164.15171813964844	41172.0
164.20069885253906	280.0
164.2552947998047	148.0
164.37738037109375	100.0
164.47145080566406	116.0
164.60568237304688	140.0
164.70260620117188	132.0
164.8601531982422	104.0
165.0878448486328	120.0
165.15402221679688	2920.0
165.2115936279297	160.0
165.28623962402344	192.0
165.33265686035156	120.0
165.36045837402344	148.0
165.38412475585938	224.0
165.410888671875	128.0
165.43992614746094	116.0
165.4783477783203	436.0
165.5477752685547	124.0
166.1876678466797	152.0
166.4252471923828	144.0
168.98463439941406	168.0
170.36386108398438	156.0
171.09461975097656	160.0
171.4957733154297	248.0
171.63394165039062	152.0
172.1614532470703	132.0
172.6602020263672	148.0
172.8799591064453	152.0
176.4308319091797	140.0
176.85406494140625	180.0
177.4766082763672	160.0
178.92193603515625	176.0
179.6147918701172	196.0
179.6468048095703	140.0
179.7642059326172	184.0
179.82044982910156	160.0
180.04930114746094	224.0
180.06932067871094	168.0
180.112548828125	204.0
180.1754913330078	116904.0
180.25112915039062	128.0
180.33987426757812	108.0
180.61550903320312	284.0
180.6699676513672	176.0
180.6963653564453	124.0
180.7379608154297	116.0
181.17771911621094	10012.0
181.30345153808594	100.0
181.35191345214844	132.0
181.68072509765625	120.0
181.75088500976562	196.0
182.02883911132812	260.0
182.18212890625	588.0
182.3204803466797	128.0
182.36451721191406	152.0
182.50277709960938	104.0
182.54763793945312	128.0
182.5873260498047	128.0
182.6304168701172	128.0
182.74017333984375	112.0
182.76535034179688	268.0
195.7880859375	188.0
239.5565948486328	148.0
318.21185302734375	224.0
351.8248596191406	132.0
422.49713134765625	140.0
552.7767333984375	148.0
802.4808959960938	144.0
1136.2452392578125	168.0
1175.7835693359375	152.0
1209.455078125	268.0
1287.4486083984375	192.0
1288.7916259765625	248.0
1290.0279541015625	140.0
1304.716796875	176.0
1305.8170166015625	180.0
1310.186279296875	176.0
1335.856689453125	160.0
1351.183837890625	180.0
1354.8736572265625	180.0
1361.3428955078125	188.0
1378.99462890625	212.0
1397.6453857421875	176.0
1409.777587890625	172.0
1411.76611328125	160.0
1417.8524169921875	144.0
1446.640380859375	236.0
1446.85986328125	200.0
1447.1324462890625	204.0
1448.74560546875	168.0
1448.8289794921875	192.0
1450.314208984375	172.0
1450.943359375	152.0
1454.683349609375	220.0
1456.04248046875	160.0
1457.2274169921875	140.0
1459.2034912109375	160.0
1459.811767578125	144.0
1461.5460205078125	256.0
1464.2027587890625	164.0
1466.4578857421875	188.0
1466.7247314453125	164.0
1466.915283203125	172.0
1485.5203857421875	152.0
1495.3170166015625	152.0
1498.7515869140625	188.0
1500.70166015625	192.0
1503.3936767578125	168.0
1506.0572509765625	188.0
1510.8653564453125	164.0
1523.237548828125	232.0
1524.5506591796875	192.0
1525.662109375	208.0
1527.333984375	168.0
1528.2830810546875	148.0
1528.62548828125	220.0
1530.3612060546875	168.0
1535.855224609375	160.0
1537.1502685546875	176.0
1537.759033203125	220.0
1539.101806640625	196.0
1539.2891845703125	188.0
1547.18603515625	156.0
1551.251708984375	172.0
1551.667236328125	180.0
1556.6260986328125	148.0
1558.259765625	148.0
1560.1617431640625	196.0
1562.2457275390625	152.0
1574.107421875	164.0
1576.129638671875	144.0
1577.2518310546875	168.0
1578.6986083984375	148.0
1591.4737548828125	148.0
1604.1455078125	156.0
1610.3931884765625	148.0
1611.16796875	152.0
1611.223876953125	176.0
1613.933349609375	152.0
1614.0914306640625	104.0
1614.8370361328125	152.0
1616.4599609375	128.0
1617.34130859375	164.0
1619.51123046875	212.0
1622.8369140625	220.0
1624.5130615234375	156.0
1627.3057861328125	148.0
1630.4466552734375	184.0
1631.7005615234375	160.0
1634.91796875	180.0
1640.14501953125	200.0
1644.960693359375	144.0
1651.29541015625	216.0
1651.5218505859375	200.0
1653.2421875	180.0
1671.373291015625	144.0
1673.2452392578125	180.0
1678.1173095703125	180.0
1681.20068359375	208.0
1684.2459716796875	164.0
1694.3486328125	196.0
1696.405517578125	168.0
1701.2947998046875	148.0
1703.8980712890625	144.0
1704.8348388671875	140.0
1705.237548828125	160.0
1707.152099609375	168.0
1710.27001953125	180.0
1712.9554443359375	164.0
1714.65283203125	204.0
1726.29296875	160.0
1730.04931640625	144.0
1733.428466796875	172.0
1734.0169677734375	212.0
1734.4561767578125	152.0
1735.0115966796875	152.0
1736.3880615234375	208.0
1741.21826171875	144.0
1743.2618408203125	144.0
1750.0096435546875	180.0
1750.2076416015625	256.0
1751.881591796875	248.0
1753.011962890625	192.0
1755.248779296875	232.0
1756.8583984375	148.0
1757.98486328125	200.0
1759.50390625	160.0
1762.29345703125	204.0
1763.998291015625	144.0
1767.9293212890625	148.0
1768.4315185546875	144.0
1770.708740234375	236.0
1770.8009033203125	196.0
1771.730712890625	172.0
1772.7696533203125	160.0
1774.395751953125	156.0
1775.48583984375	244.0
1777.4822998046875	172.0
1777.94384765625	152.0
1779.177734375	160.0
1779.715087890625	148.0
1780.46240234375	144.0
1780.71435546875	148.0
1781.13427734375	152.0
1783.6971435546875	176.0
1785.521728515625	200.0
1792.5257568359375	204.0
1793.9248046875	200.0
1801.468994140625	184.0
1807.0233154296875	160.0
1808.1571044921875	148.0
1810.104248046875	160.0
1812.1201171875	188.0
1812.81494140625	184.0
1813.6199951171875	216.0
1814.18798828125	156.0
1814.247314453125	232.0
1817.2325439453125	184.0
1818.19140625	160.0
1820.9761962890625	152.0
1821.8680419921875	160.0
1822.1143798828125	184.0
1822.649658203125	156.0
1824.4005126953125	148.0
1827.24951171875	192.0
1827.51318359375	168.0
1832.979736328125	160.0
1835.35791015625	188.0
1835.5113525390625	192.0
1835.92919921875	176.0
1838.044677734375	156.0
1839.700439453125	220.0
1840.050537109375	164.0
1842.94580078125	220.0
1843.381591796875	148.0
1843.706298828125	164.0
1846.1170654296875	196.0
1851.302978515625	200.0
1856.4447021484375	188.0
1858.3232421875	276.0
1861.3702392578125	188.0
1862.8818359375	236.0
1863.002197265625	240.0
1865.755615234375	176.0
1871.266845703125	156.0
1872.5758056640625	232.0
1876.14306640625	172.0
1878.549072265625	156.0
1879.4808349609375	164.0
1880.8616943359375	164.0
1883.2706298828125	140.0
1884.9466552734375	180.0
1885.54296875	144.0
1888.3094482421875	160.0
1890.884521484375	136.0
1891.7706298828125	192.0
1892.5843505859375	204.0
1893.181884765625	256.0
1894.3944091796875	160.0
1895.6334228515625	188.0
1896.560791015625	168.0
1897.6964111328125	228.0
1897.9217529296875	140.0
1902.936767578125	152.0
1909.0626220703125	196.0
1909.94970703125	228.0
1910.09765625	228.0
1914.9022216796875	164.0
1915.616455078125	204.0
1920.1314697265625	160.0
1925.6734619140625	140.0
1927.3944091796875	152.0
1927.5255126953125	172.0
1928.05859375	156.0
1929.7369384765625	160.0
1930.0167236328125	152.0
1930.51513671875	156.0
1931.240966796875	212.0
1931.3721923828125	240.0
1932.3607177734375	244.0
1935.62548828125	148.0
1941.1898193359375	216.0
1941.444091796875	152.0
1944.4356689453125	220.0
1950.3466796875	176.0
1951.621337890625	152.0
1951.9466552734375	176.0
1952.02587890625	192.0
1952.3863525390625	168.0
1954.691162109375	180.0
1956.125732421875	188.0
1956.578857421875	208.0
1960.0977783203125	168.0
1960.882080078125	152.0
1962.4599609375	180.0
1962.9434814453125	124.0
1963.1829833984375	188.0
1966.1295166015625	184.0
1968.3521728515625	180.0
1968.5572509765625	180.0
1969.5286865234375	148.0
1970.0587158203125	192.0
1970.473876953125	164.0
1970.747802734375	144.0
1973.859130859375	196.0
1974.0714111328125	160.0
1974.9027099609375	140.0
1976.530517578125	208.0
1977.1322021484375	144.0
1983.4471435546875	188.0
1984.4134521484375	228.0
1985.1937255859375	160.0
1985.335693359375	148.0
1988.55810546875	180.0
1989.6768798828125	196.0
1990.304931640625	180.0
1995.547119140625	188.0
1996.3563232421875	152.0
1998.33984375	160.0
1999.9149169921875	180.0
2000.236572265625	176.0
2002.5147705078125	176.0
2002.746337890625	184.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078942
PEPMASS=402.190094
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Moxifloxacin hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc4c(=O)c(cn(C5CC5)c14)C(=O)O
INCHI=InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
INCHIAUX=FABPRXSRWADJSP-MEDUHNTESA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078942
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078942
SCANS=1068
45.31260681152344	168.0
46.482994079589844	156.0
46.4992790222168	156.0
46.52778625488281	244.0
46.59433364868164	204.0
46.73301315307617	172.0
47.506290435791016	152.0
47.792057037353516	224.0
48.11457061767578	160.0
48.16704559326172	236.0
48.515769958496094	180.0
48.59204864501953	140.0
48.98686981201172	148.0
49.09558868408203	176.0
49.25469970703125	184.0
49.27705001831055	232.0
49.4112663269043	224.0
49.68586349487305	208.0
49.861385345458984	180.0
50.21053695678711	140.0
50.58638381958008	156.0
52.25905990600586	164.0
52.443389892578125	196.0
52.560203552246094	152.0
52.84629440307617	180.0
52.9693489074707	140.0
53.0823974609375	192.0
53.220245361328125	168.0
53.28666305541992	176.0
54.193119049072266	152.0
54.674766540527344	148.0
55.448646545410156	184.0
55.63851547241211	144.0
55.76477813720703	164.0
55.92206954956055	180.0
56.12205505371094	164.0
56.664222717285156	172.0
56.702064514160156	176.0
56.819026947021484	140.0
56.9376106262207	232.0
56.97065353393555	208.0
57.25041961669922	156.0
57.462955474853516	148.0
58.70677947998047	168.0
58.99382781982422	172.0
59.06110763549805	164.0
59.13914108276367	152.0
59.48556137084961	172.0
59.67631149291992	172.0
59.80374526977539	196.0
60.47360610961914	156.0
61.390228271484375	140.0
61.98268127441406	140.0
62.48826599121094	184.0
63.294822692871094	156.0
63.700836181640625	152.0
63.81367111206055	144.0
64.3314437866211	180.0
64.4288558959961	140.0
64.61270904541016	192.0
64.63031005859375	224.0
64.71353912353516	156.0
64.8304672241211	164.0
64.99750518798828	148.0
65.1626205444336	148.0
65.34751892089844	200.0
65.53105926513672	140.0
65.91163635253906	148.0
67.25330352783203	208.0
67.64559936523438	144.0
67.72419738769531	148.0
67.90120697021484	140.0
68.17866516113281	168.0
68.44844818115234	148.0
68.68082427978516	248.0
68.73856353759766	172.0
68.75341796875	168.0
68.95344543457031	168.0
69.55448913574219	152.0
70.23555755615234	168.0
70.33015441894531	164.0
70.35519409179688	148.0
70.97006225585938	172.0
70.99603271484375	172.0
71.10004425048828	148.0
71.1776123046875	172.0
71.24781036376953	152.0
71.38394927978516	148.0
71.60440826416016	156.0
71.70381164550781	172.0
71.77798461914062	168.0
72.03253936767578	160.0
72.085205078125	152.0
72.4083251953125	144.0
72.4652099609375	160.0
72.71349334716797	196.0
72.83234405517578	184.0
73.08395385742188	192.0
73.33769226074219	176.0
73.81400299072266	192.0
73.84136199951172	172.0
75.22111511230469	232.0
75.34371948242188	164.0
75.93745422363281	192.0
76.1613540649414	144.0
76.1824951171875	140.0
76.53351593017578	140.0
76.9432373046875	156.0
76.96418762207031	176.0
77.0689926147461	144.0
78.4043960571289	212.0
78.51545715332031	200.0
78.76255798339844	244.0
78.88978576660156	328.0
79.13923645019531	184.0
79.16403198242188	168.0
79.89885711669922	148.0
80.29965209960938	168.0
80.40669250488281	204.0
80.6281509399414	160.0
80.74614715576172	236.0
81.1871337890625	140.0
81.52471160888672	156.0
81.55475616455078	168.0
81.57991790771484	196.0
81.88941192626953	220.0
82.2247543334961	168.0
82.40894317626953	152.0
82.49208068847656	140.0
82.511962890625	168.0
83.45111846923828	200.0
83.47293853759766	144.0
83.56024169921875	140.0
83.59481811523438	168.0
83.66761779785156	212.0
83.80421447753906	204.0
83.90081024169922	176.0
84.02664947509766	176.0
84.19092559814453	160.0
84.22197723388672	168.0
84.29688262939453	156.0
85.1689453125	148.0
85.2997055053711	100.0
85.50066375732422	152.0
85.59745788574219	152.0
85.70982360839844	156.0
85.80013275146484	188.0
86.0067367553711	148.0
86.03996276855469	216.0
86.43549346923828	156.0
86.44844818115234	168.0
86.66090393066406	152.0
87.49675750732422	184.0
87.626220703125	108.0
88.10140228271484	144.0
88.17240142822266	160.0
88.43985748291016	208.0
88.76728057861328	192.0
89.0473403930664	184.0
89.10932922363281	148.0
89.68328094482422	156.0
90.05497741699219	152.0
90.35364532470703	156.0
90.88983917236328	144.0
91.05309295654297	164.0
91.3976058959961	156.0
91.57331848144531	172.0
91.67899322509766	172.0
91.96507263183594	144.0
92.31277465820312	192.0
92.4849624633789	160.0
93.06967163085938	176.0
93.39329528808594	132.0
94.06302642822266	308.0
94.30838012695312	140.0
94.89016723632812	200.0
95.07260131835938	168.0
95.08698272705078	180.0
96.05625915527344	176.0
96.08148956298828	2220.0
96.17835235595703	300.0
96.87696838378906	204.0
97.0494384765625	188.0
97.08757781982422	328.0
97.5388412475586	124.0
97.99089050292969	164.0
98.09555053710938	1552.0
98.33366394042969	116.0
98.38335418701172	148.0
98.60063171386719	148.0
98.61841583251953	160.0
98.8557357788086	184.0
98.90917205810547	160.0
98.95470428466797	184.0
99.0965347290039	164.0
99.41854095458984	144.0
99.76016235351562	144.0
100.80055236816406	176.0
101.11852264404297	192.0
101.40492248535156	256.0
101.44300842285156	156.0
101.78608703613281	204.0
102.35916900634766	168.0
102.8551254272461	176.0
103.38262939453125	200.0
104.03730773925781	156.0
105.20787811279297	152.0
105.24258422851562	148.0
105.87649536132812	160.0
105.93241119384766	120.0
106.06293487548828	280.0
106.16134643554688	244.0
106.55750274658203	160.0
106.8329849243164	224.0
106.85767364501953	140.0
107.01615142822266	192.0
107.06968688964844	196.0
107.13766479492188	140.0
107.4033432006836	140.0
107.5294418334961	164.0
107.66983032226562	168.0
107.8165054321289	140.0
108.0809555053711	832.0
108.25714874267578	140.0
108.48920440673828	148.0
109.04447174072266	120.0
109.08911895751953	760.0
109.31376647949219	152.0
109.39910125732422	168.0
109.52404022216797	160.0
109.54695129394531	140.0
109.56778717041016	204.0
109.71992492675781	152.0
109.82836151123047	164.0
109.86590576171875	204.0
110.0966567993164	5952.0
110.12056732177734	144.0
110.1414566040039	176.0
110.20652770996094	120.0
110.3051528930664	164.0
110.49683380126953	248.0
110.61611938476562	220.0
110.69776916503906	156.0
110.99742126464844	188.0
111.10106658935547	900.0
111.26436614990234	108.0
111.31217956542969	148.0
111.3394775390625	224.0
112.10835266113281	116.0
112.20268249511719	152.0
112.64112854003906	188.0
112.71673583984375	132.0
112.76155853271484	140.0
113.09574127197266	144.0
113.34563446044922	200.0
113.65521240234375	164.0
113.92484283447266	148.0
114.26287078857422	224.0
114.8017578125	140.0
115.17098236083984	268.0
115.20088958740234	148.0
115.22225189208984	160.0
115.30641174316406	176.0
115.92279052734375	216.0
116.76275634765625	152.0
117.04320526123047	180.0
117.38365936279297	152.0
117.45051574707031	148.0
118.16339874267578	100.0
118.21532440185547	172.0
118.24562072753906	192.0
118.30110168457031	108.0
118.69405364990234	224.0
118.85340118408203	164.0
118.8719253540039	144.0
119.11943054199219	152.0
119.14550018310547	168.0
119.22372436523438	156.0
119.25849151611328	188.0
119.40263366699219	108.0
120.25350189208984	124.0
120.40013122558594	164.0
120.49993133544922	128.0
120.7733383178711	116.0
120.93359375	144.0
121.0959701538086	148.0
121.21391296386719	144.0
121.7391128540039	152.0
122.0150375366211	204.0
122.15138244628906	140.0
122.42259216308594	160.0
122.67106628417969	208.0
123.05148315429688	164.0
123.08805084228516	168.0
123.15430450439453	180.0
123.34874725341797	228.0
123.56546783447266	156.0
123.81116485595703	164.0
123.97953796386719	152.0
124.05268096923828	260.0
124.11052703857422	516.0
124.14579772949219	188.0
124.19237518310547	240.0
124.84003448486328	200.0
124.92317199707031	176.0
125.01209259033203	116.0
125.11336517333984	172.0
125.17912292480469	144.0
126.11810302734375	172.0
126.31066131591797	128.0
126.97429656982422	136.0
127.12301635742188	148.0
127.94208526611328	144.0
128.34837341308594	116.0
129.04531860351562	152.0
129.17874145507812	244.0
129.3046875	164.0
129.4480743408203	168.0
129.7053985595703	148.0
130.01707458496094	212.0
130.06573486328125	132.0
130.09878540039062	164.0
130.1646270751953	164.0
130.2259521484375	204.0
131.0626983642578	260.0
131.14059448242188	140.0
131.5100860595703	176.0
131.5945587158203	172.0
132.02642822265625	140.0
132.58731079101562	176.0
132.630859375	168.0
133.0382843017578	156.0
133.11952209472656	140.0
133.15264892578125	184.0
133.1792449951172	168.0
133.57229614257812	140.0
133.6343994140625	176.0
133.88070678710938	152.0
134.03965759277344	144.0
134.36474609375	140.0
134.80377197265625	140.0
134.89358520507812	164.0
135.00405883789062	144.0
135.08157348632812	116.0
135.4234619140625	160.0
135.5833282470703	168.0
135.7047882080078	140.0
135.77110290527344	168.0
135.80589294433594	144.0
136.04722595214844	156.0
136.1191864013672	196.0
136.18955993652344	212.0
136.33250427246094	164.0
136.7887725830078	164.0
137.047607421875	224.0
137.2663116455078	144.0
137.35968017578125	168.0
137.455322265625	164.0
137.49966430664062	268.0
137.78688049316406	156.0
137.978515625	164.0
138.03359985351562	128.0
138.21240234375	152.0
138.4043426513672	160.0
138.55189514160156	160.0
138.7557830810547	172.0
138.82847595214844	152.0
139.1781005859375	180.0
139.86221313476562	172.0
139.99171447753906	184.0
140.04949951171875	156.0
140.07447814941406	284.0
140.10711669921875	180.0
140.227294921875	148.0
140.30743408203125	160.0
140.4347686767578	168.0
140.46072387695312	204.0
140.8043670654297	168.0
140.9447021484375	144.0
141.0430145263672	220.0
141.06292724609375	152.0
142.2615203857422	144.0
142.28050231933594	144.0
142.47525024414062	172.0
142.52989196777344	188.0
142.75570678710938	188.0
142.8627471923828	156.0
143.1626434326172	172.0
143.2340850830078	172.0
143.63931274414062	188.0
143.81588745117188	208.0
144.06761169433594	192.0
144.8368682861328	152.0
144.87391662597656	112.0
145.04544067382812	164.0
145.52696228027344	132.0
145.6592559814453	164.0
145.71726989746094	192.0
146.1019287109375	192.0
146.24630737304688	264.0
146.31732177734375	112.0
146.37826538085938	148.0
146.65335083007812	156.0
146.9547882080078	196.0
147.04408264160156	160.0
147.1459503173828	140.0
147.41700744628906	132.0
147.55618286132812	320.0
147.72708129882812	132.0
147.75990295410156	136.0
148.05506896972656	320.0
148.71408081054688	144.0
149.02491760253906	180.0
149.1415557861328	176.0
149.49559020996094	116.0
149.6670379638672	200.0
149.72547912597656	168.0
149.82534790039062	192.0
149.86485290527344	260.0
150.04190063476562	228.0
150.05868530273438	256.0
150.13002014160156	148.0
150.1483612060547	116.0
150.64990234375	180.0
150.76963806152344	236.0
151.00921630859375	188.0
151.0457000732422	220.0
151.1780242919922	172.0
151.4791717529297	200.0
151.78553771972656	140.0
151.8223114013672	160.0
152.0406036376953	316.0
152.0774688720703	168.0
152.4679718017578	160.0
152.51541137695312	184.0
152.940185546875	196.0
153.0569305419922	172.0
153.15194702148438	180.0
153.44764709472656	176.0
153.47723388671875	140.0
153.68443298339844	152.0
154.05880737304688	324.0
154.17088317871094	152.0
154.42031860351562	196.0
154.6383056640625	180.0
154.68780517578125	164.0
154.8844451904297	224.0
155.07554626464844	96.0
155.10147094726562	160.0
155.18104553222656	128.0
155.614990234375	200.0
156.06637573242188	104.0
156.11676025390625	180.0
156.36817932128906	148.0
157.05201721191406	344.0
157.12570190429688	144.0
157.15834045410156	140.0
157.68753051757812	236.0
157.74002075195312	140.0
157.87254333496094	144.0
157.9927520751953	128.0
158.0370330810547	152.0
158.05099487304688	176.0
158.41566467285156	188.0
158.5609893798828	172.0
158.60467529296875	164.0
158.77659606933594	220.0
158.79916381835938	152.0
158.91958618164062	184.0
159.3019561767578	156.0
159.33132934570312	156.0
159.6482696533203	128.0
159.7159423828125	180.0
160.0053253173828	184.0
160.04476928710938	156.0
160.44873046875	164.0
160.68356323242188	176.0
161.0640411376953	172.0
161.30528259277344	104.0
161.63075256347656	216.0
161.7497100830078	156.0
162.0537567138672	196.0
162.50489807128906	160.0
162.5734100341797	140.0
162.92379760742188	160.0
163.00003051757812	164.0
163.04359436035156	736.0
163.06704711914062	1128.0
163.0999298095703	116.0
163.4475555419922	164.0
163.49081420898438	148.0
163.5688934326172	124.0
163.7018280029297	160.0
163.9542999267578	152.0
164.05137634277344	252.0
164.11163330078125	240.0
164.3136749267578	128.0
164.41845703125	176.0
165.04864501953125	304.0
165.37942504882812	140.0
165.48439025878906	156.0
166.03155517578125	300.0
166.06399536132812	132.0
166.1148223876953	148.0
166.42127990722656	204.0
166.5395965576172	224.0
167.03863525390625	164.0
167.06658935546875	120.0
167.3060302734375	152.0
167.33294677734375	148.0
167.38861083984375	156.0
167.6368865966797	140.0
167.82505798339844	176.0
168.06166076660156	128.0
168.0829620361328	152.0
168.2161407470703	156.0
168.331298828125	204.0
168.63192749023438	128.0
168.73129272460938	164.0
168.94593811035156	172.0
169.0235595703125	200.0
169.04684448242188	184.0
169.07437133789062	144.0
169.2056121826172	212.0
169.48008728027344	152.0
169.7955322265625	232.0
169.88232421875	232.0
170.0309295654297	168.0
170.06272888183594	292.0
170.20034790039062	180.0
170.24449157714844	164.0
170.31201171875	164.0
170.7662811279297	180.0
171.06088256835938	164.0
171.0826873779297	144.0
171.1048583984375	144.0
171.13638305664062	140.0
171.5089111328125	168.0
172.0045166015625	244.0
172.07424926757812	248.0
172.34400939941406	208.0
173.05020141601562	172.0
173.25711059570312	172.0
173.46412658691406	156.0
173.56112670898438	184.0
173.8076934814453	184.0
173.8785400390625	216.0
173.93942260742188	124.0
174.0331573486328	120.0
174.06448364257812	608.0
174.42401123046875	212.0
174.48532104492188	204.0
174.78965759277344	148.0
174.82318115234375	152.0
174.84483337402344	136.0
174.9371795654297	152.0
174.9930877685547	208.0
175.06399536132812	364.0
175.5558624267578	152.0
175.5859832763672	160.0
175.65719604492188	184.0
175.69940185546875	200.0
176.05172729492188	260.0
176.07229614257812	260.0
176.12704467773438	152.0
176.2432861328125	160.0
176.31199645996094	220.0
176.766845703125	160.0
177.05296325683594	268.0
177.07957458496094	532.0
177.7685089111328	152.0
177.78860473632812	144.0
178.0311279296875	332.0
178.0612030029297	816.0
178.08958435058594	268.0
178.22789001464844	232.0
178.9007568359375	156.0
179.03671264648438	1224.0
179.06275939941406	536.0
179.09425354003906	132.0
179.71627807617188	160.0
179.7616424560547	152.0
179.95916748046875	180.0
180.0439453125	980.0
180.52850341796875	176.0
180.7522430419922	196.0
180.82691955566406	156.0
180.89540100097656	100.0
181.0425262451172	480.0
181.07754516601562	320.0
181.21087646484375	148.0
181.47412109375	156.0
182.05972290039062	280.0
182.39971923828125	148.0
182.60675048828125	208.0
182.82952880859375	168.0
182.94039916992188	156.0
182.9703826904297	116.0
183.05572509765625	164.0
183.0880126953125	140.0
183.1980743408203	308.0
183.3066864013672	156.0
183.6077880859375	164.0
184.03695678710938	176.0
184.07461547851562	388.0
185.05580139160156	100.0
185.10525512695312	160.0
185.19284057617188	148.0
185.3549346923828	140.0
185.44580078125	136.0
185.4850311279297	144.0
185.51052856445312	128.0
185.59075927734375	140.0
185.68295288085938	188.0
185.88369750976562	188.0
186.05923461914062	604.0
186.09764099121094	172.0
186.25564575195312	164.0
186.39691162109375	152.0
186.6006317138672	304.0
186.98703002929688	160.0
187.062255859375	768.0
187.3322296142578	160.0
187.40093994140625	184.0
187.9326171875	184.0
188.05075073242188	548.0
188.35848999023438	160.0
188.410400390625	164.0
188.4486541748047	188.0
188.72743225097656	148.0
189.0173797607422	144.0
189.05117797851562	544.0
189.87481689453125	152.0
189.90773010253906	168.0
189.9790496826172	156.0
190.06686401367188	836.0
190.1573944091797	152.0
190.33035278320312	164.0
190.3770294189453	188.0
190.66273498535156	184.0
190.75892639160156	172.0
190.95999145507812	128.0
191.0366668701172	792.0
191.0626678466797	1452.0
191.28707885742188	220.0
191.3201141357422	156.0
191.63958740234375	152.0
192.04656982421875	1980.0
192.07049560546875	1408.0
192.2351837158203	204.0
192.56544494628906	108.0
192.6852569580078	152.0
192.765380859375	172.0
193.04457092285156	1968.0
193.0848388671875	228.0
193.3793182373047	144.0
193.40318298339844	232.0
193.70155334472656	112.0
194.0259552001953	660.0
194.04824829101562	852.0
194.25213623046875	180.0
194.94346618652344	216.0
195.02845764160156	428.0
195.0560760498047	1512.0
195.09266662597656	276.0
195.3438262939453	160.0
195.37754821777344	148.0
195.5274658203125	212.0
195.6248779296875	152.0
195.6889190673828	160.0
195.98068237304688	148.0
196.06480407714844	484.0
196.1647491455078	100.0
196.58924865722656	144.0
196.83680725097656	204.0
197.03599548339844	152.0
197.067626953125	128.0
197.28192138671875	172.0
197.53359985351562	224.0
197.64398193359375	124.0
197.71826171875	152.0
197.9534149169922	172.0
198.05393981933594	156.0
198.08023071289062	596.0
198.1065216064453	172.0
198.4353485107422	252.0
198.5054473876953	164.0
198.5286407470703	148.0
198.6690216064453	188.0
199.00489807128906	172.0
199.05001831054688	224.0
199.08995056152344	284.0
199.11842346191406	148.0
199.17787170410156	108.0
199.65399169921875	152.0
199.9578399658203	232.0
200.0557403564453	324.0
200.07168579101562	328.0
200.20558166503906	156.0
200.27317810058594	148.0
200.30979919433594	140.0
200.4027557373047	164.0
200.7494659423828	152.0
201.0662841796875	932.0
201.2347869873047	144.0
201.26585388183594	176.0
201.71221923828125	168.0
201.92555236816406	148.0
202.0647735595703	1496.0
202.1298828125	184.0
202.26947021484375	184.0
202.60462951660156	112.0
202.93804931640625	156.0
203.0634307861328	1792.0
203.14791870117188	140.0
203.1888885498047	144.0
203.82362365722656	144.0
203.9012908935547	240.0
204.04336547851562	1724.0
204.0697021484375	1860.0
204.1780548095703	100.0
204.3131103515625	124.0
204.4065399169922	152.0
204.58584594726562	192.0
204.66949462890625	168.0
205.04299926757812	3836.0
205.0770721435547	2464.0
205.2354278564453	156.0
205.29815673828125	144.0
205.33436584472656	96.0
205.49021911621094	156.0
205.6947479248047	156.0
205.8531036376953	96.0
205.8956756591797	192.0
206.04920959472656	2028.0
206.07894897460938	472.0
206.1149444580078	184.0
206.25460815429688	152.0
206.37026977539062	104.0
206.5262451171875	184.0
206.9125518798828	180.0
207.05657958984375	5484.0
207.12973022460938	112.0
207.63516235351562	108.0
208.0332489013672	104.0
208.0634307861328	1356.0
208.09994506835938	128.0
208.34361267089844	144.0
208.40969848632812	184.0
208.4709014892578	212.0
208.54763793945312	152.0
208.61949157714844	172.0
208.93295288085938	176.0
209.04039001464844	220.0
209.06497192382812	320.0
209.1516571044922	144.0
209.21498107910156	168.0
209.31167602539062	180.0
209.49143981933594	144.0
209.99586486816406	144.0
210.07928466796875	412.0
210.13250732421875	120.0
210.1747283935547	316.0
210.5095672607422	244.0
210.54556274414062	96.0
210.6193084716797	192.0
210.70127868652344	128.0
211.00852966308594	124.0
211.05392456054688	244.0
211.08460998535156	1596.0
211.12799072265625	172.0
211.30442810058594	176.0
211.3854522705078	164.0
211.42596435546875	164.0
211.93270874023438	180.0
212.05691528320312	248.0
212.09115600585938	792.0
213.0756072998047	880.0
213.21560668945312	156.0
213.3439483642578	156.0
213.5903778076172	184.0
214.05972290039062	340.0
214.08331298828125	816.0
214.4376678466797	176.0
214.64505004882812	172.0
215.06219482421875	5768.0
215.0958709716797	648.0
215.1438446044922	120.0
215.20578002929688	192.0
215.38816833496094	120.0
215.4777069091797	144.0
215.5689697265625	164.0
215.6529083251953	160.0
215.73744201660156	164.0
215.78921508789062	172.0
216.07017517089844	4176.0
216.13409423828125	144.0
216.32656860351562	164.0
216.61740112304688	172.0
216.7079315185547	160.0
216.7621612548828	312.0
216.96026611328125	176.0
216.99966430664062	192.0
217.041748046875	4220.0
217.0775909423828	5728.0
217.38262939453125	172.0
217.47067260742188	152.0
217.5651092529297	184.0
218.0282440185547	980.0
218.05203247070312	1272.0
218.08187866210938	2152.0
218.2174835205078	176.0
218.4360809326172	272.0
218.49327087402344	212.0
218.63450622558594	140.0
218.82858276367188	124.0
219.02684020996094	512.0
219.05816650390625	8916.0
219.092041015625	1708.0
219.20579528808594	144.0
219.4001007080078	116.0
219.46517944335938	188.0
219.60458374023438	140.0
219.69891357421875	144.0
219.9224395751953	176.0
219.94708251953125	196.0
219.97557067871094	180.0
220.0203399658203	264.0
220.0643768310547	8076.0
220.5347137451172	108.0
220.58921813964844	152.0
220.6531524658203	188.0
220.83245849609375	148.0
221.02854919433594	268.0
221.07203674316406	2824.0
221.27415466308594	120.0
221.7858428955078	180.0
221.90977478027344	144.0
222.0263671875	168.0
222.0748291015625	556.0
222.44093322753906	132.0
222.55715942382812	192.0
222.8642120361328	128.0
223.0721435546875	516.0
223.0940704345703	648.0
223.4357147216797	200.0
224.0286865234375	148.0
224.0506591796875	160.0
224.08168029785156	620.0
224.39659118652344	104.0
224.6941375732422	164.0
224.81349182128906	180.0
224.9806365966797	180.0
225.03944396972656	132.0
225.06727600097656	208.0
225.10922241210938	172.0
225.2195281982422	180.0
225.33303833007812	144.0
225.640869140625	152.0
225.7275848388672	152.0
225.8395233154297	112.0
226.07803344726562	420.0
226.29908752441406	160.0
226.7723846435547	164.0
227.06637573242188	596.0
227.28819274902344	156.0
227.37014770507812	104.0
227.45326232910156	144.0
227.49366760253906	156.0
227.60464477539062	196.0
228.06875610351562	1552.0
228.27044677734375	224.0
228.54415893554688	184.0
228.77386474609375	112.0
228.80838012695312	148.0
229.07839965820312	2248.0
229.5713348388672	152.0
229.72515869140625	184.0
229.84584045410156	172.0
230.02049255371094	176.0
230.08517456054688	2356.0
230.2261962890625	144.0
230.31280517578125	144.0
230.43304443359375	100.0
230.7307891845703	156.0
230.94851684570312	148.0
231.02085876464844	296.0
231.0572052001953	4172.0
231.09347534179688	13704.0
231.16488647460938	192.0
231.21597290039062	160.0
231.2419891357422	164.0
231.32069396972656	156.0
231.7257537841797	164.0
231.99949645996094	276.0
232.06613159179688	4188.0
232.09469604492188	1732.0
232.14068603515625	136.0
232.23751831054688	104.0
232.2680206298828	152.0
232.41038513183594	136.0
232.49365234375	192.0
232.62557983398438	180.0
232.66482543945312	112.0
232.72885131835938	108.0
232.74864196777344	284.0
233.03573608398438	1156.0
233.07196044921875	4820.0
233.1057891845703	1524.0
233.1548614501953	168.0
233.2056884765625	116.0
233.23776245117188	176.0
233.31983947753906	168.0
233.3684844970703	168.0
233.54486083984375	152.0
233.67205810546875	128.0
233.8029022216797	172.0
233.94651794433594	176.0
233.9921875	148.0
234.05908203125	2572.0
234.08047485351562	7036.0
234.16639709472656	192.0
234.23793029785156	100.0
234.3616180419922	148.0
234.74964904785156	148.0
234.79225158691406	104.0
235.0551300048828	980.0
235.0849151611328	3712.0
235.24755859375	208.0
235.30120849609375	156.0
235.39781188964844	212.0
235.94947814941406	108.0
236.03480529785156	360.0
236.06118774414062	572.0
236.08370971679688	512.0
236.56045532226562	196.0
236.59329223632812	100.0
237.03684997558594	160.0
237.0652313232422	764.0
237.09024047851562	440.0
237.29486083984375	140.0
237.46351623535156	144.0
237.55487060546875	116.0
237.693603515625	160.0
238.01852416992188	164.0
238.04942321777344	144.0
238.09857177734375	1044.0
238.14535522460938	236.0
238.64271545410156	196.0
239.00408935546875	112.0
239.08053588867188	280.0
239.09957885742188	404.0
239.1254425048828	276.0
239.3257598876953	172.0
239.6226348876953	144.0
240.0270538330078	144.0
240.05482482910156	144.0
240.0872039794922	292.0
240.56820678710938	156.0
240.7559814453125	128.0
240.90789794921875	180.0
241.0407257080078	272.0
241.0795135498047	1196.0
241.2880096435547	176.0
241.38076782226562	164.0
241.5432891845703	168.0
241.7257843017578	180.0
242.08482360839844	2296.0
242.2814483642578	188.0
242.309326171875	160.0
242.52516174316406	104.0
242.67588806152344	160.0
243.02609252929688	156.0
243.05616760253906	476.0
243.09376525878906	2268.0
243.134765625	400.0
243.55093383789062	144.0
243.5812225341797	144.0
243.9168243408203	156.0
244.07569885253906	1240.0
244.09759521484375	1076.0
244.55020141601562	120.0
244.61671447753906	156.0
244.99038696289062	156.0
245.03819274902344	1444.0
245.0728759765625	10296.0
245.10714721679688	1228.0
245.16799926757812	148.0
245.30296325683594	128.0
245.39048767089844	172.0
245.42819213867188	144.0
246.04335021972656	752.0
246.07943725585938	10176.0
246.11306762695312	1068.0
246.2027130126953	176.0
246.5817413330078	152.0
246.64736938476562	236.0
246.7364959716797	132.0
246.8912353515625	144.0
246.91525268554688	116.0
247.05209350585938	3088.0
247.08824157714844	7056.0
247.1950225830078	224.0
247.3457489013672	148.0
247.37799072265625	148.0
247.55026245117188	176.0
248.00003051757812	116.0
248.05862426757812	3852.0
248.0946502685547	2776.0
248.16188049316406	188.0
248.19480895996094	208.0
248.27386474609375	152.0
248.36325073242188	164.0
248.6173858642578	148.0
249.03805541992188	516.0
249.06561279296875	784.0
249.10232543945312	3504.0
249.15081787109375	176.0
249.4160614013672	176.0
249.4478759765625	200.0
249.8510284423828	136.0
250.0159454345703	128.0
250.06675720214844	308.0
250.10536193847656	304.0
250.18080139160156	128.0
250.5101776123047	156.0
250.76539611816406	176.0
251.0446319580078	344.0
251.07098388671875	376.0
251.08172607421875	540.0
251.11151123046875	220.0
251.30760192871094	132.0
252.07745361328125	320.0
252.11131286621094	268.0
252.3519287109375	204.0
252.85935974121094	140.0
253.06472778320312	316.0
253.08932495117188	716.0
253.50155639648438	132.0
253.68606567382812	168.0
253.83506774902344	196.0
254.0172882080078	124.0
254.06126403808594	148.0
254.0921173095703	3064.0
254.18838500976562	136.0
254.7398681640625	144.0
255.0678253173828	644.0
255.09481811523438	1512.0
255.96693420410156	200.0
256.06427001953125	276.0
256.1038513183594	744.0
256.9043884277344	120.0
257.0169982910156	168.0
257.0729675292969	2096.0
257.2425231933594	168.0
257.3902587890625	164.0
257.4851989746094	140.0
258.04425048828125	396.0
258.078125	1960.0
258.1626892089844	160.0
258.25775146484375	172.0
258.4425354003906	196.0
258.6138000488281	140.0
258.6401062011719	128.0
258.76885986328125	124.0
258.97882080078125	172.0
259.0482177734375	580.0
259.0890808105469	4360.0
259.2639465332031	152.0
259.2895812988281	208.0
259.7127990722656	140.0
259.8603515625	148.0
259.9232177734375	136.0
260.059814453125	17540.0
260.0945739746094	3388.0
260.2615661621094	152.0
260.4999694824219	208.0
260.6767883300781	152.0
260.9009094238281	140.0
260.9298400878906	176.0
261.0038146972656	168.0
261.06414794921875	4184.0
261.1036376953125	25056.0
261.3460693359375	200.0
261.3678894042969	204.0
261.4795227050781	196.0
261.51531982421875	240.0
261.8254089355469	128.0
261.852294921875	132.0
262.0228271484375	216.0
262.0704650878906	476.0
262.10687255859375	4400.0
262.5365905761719	152.0
262.84619140625	160.0
263.01409912109375	140.0
263.05517578125	308.0
263.0807189941406	620.0
263.1106872558594	364.0
263.1473693847656	232.0
263.20709228515625	204.0
263.333740234375	152.0
263.6133117675781	164.0
263.7052917480469	184.0
263.84197998046875	140.0
264.0207824707031	96.0
264.0421142578125	124.0
264.08258056640625	232.0
264.1179504394531	324.0
264.61102294921875	144.0
265.0656433105469	1224.0
265.1229553222656	628.0
265.3497009277344	164.0
265.4534606933594	268.0
265.5507507324219	172.0
265.58319091796875	160.0
265.6805114746094	156.0
266.1009521484375	668.0
266.1282653808594	756.0
266.3914489746094	156.0
267.09149169921875	328.0
267.1363830566406	492.0
267.6533203125	260.0
268.06671142578125	328.0
268.1026916503906	576.0
268.1430358886719	484.0
268.2006530761719	140.0
268.3766784667969	152.0
268.75177001953125	148.0
268.97882080078125	112.0
269.0291748046875	152.0
269.0780944824219	716.0
269.1126403808594	1144.0
269.8688049316406	172.0
269.9064636230469	164.0
270.081298828125	532.0
270.11505126953125	1492.0
270.1827697753906	160.0
270.99798583984375	168.0
271.04864501953125	184.0
271.0909118652344	1472.0
271.1186828613281	676.0
271.2716369628906	160.0
271.92681884765625	144.0
271.96539306640625	172.0
272.0604248046875	160.0
272.0943908691406	548.0
272.1210632324219	624.0
272.36474609375	148.0
272.6255187988281	144.0
272.68353271484375	152.0
272.9246520996094	164.0
273.0324401855469	140.0
273.0682067871094	1532.0
273.10491943359375	664.0
273.23712158203125	144.0
273.414794921875	140.0
273.6187438964844	100.0
274.07177734375	584.0
274.108642578125	2144.0
274.66021728515625	152.0
275.0815124511719	980.0
275.11334228515625	1656.0
275.8687744140625	184.0
275.9266357421875	112.0
276.0881652832031	328.0
276.1180725097656	928.0
276.7355651855469	140.0
276.9718933105469	144.0
277.06292724609375	228.0
277.0950012207031	428.0
277.13458251953125	352.0
277.6003723144531	252.0
277.75860595703125	180.0
277.88232421875	152.0
278.0699157714844	1856.0
278.1282958984375	304.0
278.2350158691406	160.0
278.29388427734375	152.0
278.3204345703125	140.0
278.63262939453125	156.0
278.8481750488281	152.0
279.0789489746094	848.0
279.1357116699219	256.0
279.5180358886719	108.0
280.0873107910156	700.0
280.10980224609375	832.0
280.1480407714844	124.0
280.8824157714844	136.0
281.0855712890625	928.0
281.1142272949219	544.0
281.1601867675781	164.0
281.5997009277344	100.0
281.8138122558594	176.0
281.9748229980469	208.0
282.0909118652344	544.0
282.1247863769531	3212.0
282.3868713378906	224.0
282.45294189453125	148.0
282.6927795410156	180.0
282.8310546875	148.0
282.9499206542969	212.0
283.08837890625	1472.0
283.1206359863281	1088.0
283.410400390625	152.0
283.45489501953125	160.0
284.0171813964844	168.0
284.05841064453125	348.0
284.1064453125	564.0
284.18975830078125	128.0
284.658203125	148.0
284.69403076171875	260.0
284.8924255371094	184.0
284.9470520019531	196.0
285.06622314453125	1808.0
285.1031799316406	2680.0
285.4107666015625	120.0
286.0723571777344	396.0
286.1319580078125	1524.0
286.200927734375	200.0
286.84844970703125	212.0
287.08294677734375	4512.0
287.1224670410156	876.0
287.54327392578125	148.0
287.9608154296875	100.0
288.0372009277344	232.0
288.08197021484375	1332.0
288.1208801269531	664.0
288.15020751953125	1592.0
289.031494140625	204.0
289.0632629394531	436.0
289.1221008300781	904.0
289.1578063964844	804.0
289.466796875	144.0
289.8557434082031	116.0
289.9261474609375	148.0
290.028076171875	144.0
290.0743713378906	192.0
290.1266784667969	712.0
290.2073059082031	196.0
290.2849426269531	96.0
290.5477294921875	132.0
290.9195251464844	128.0
290.95306396484375	172.0
290.9908752441406	172.0
291.0793762207031	1024.0
291.110595703125	312.0
291.16033935546875	164.0
291.6754455566406	176.0
291.7978210449219	152.0
292.047119140625	1212.0
292.08856201171875	804.0
292.14874267578125	356.0
292.93798828125	132.0
293.0514221191406	180.0
293.1100158691406	584.0
293.27862548828125	220.0
293.3251037597656	176.0
293.8125915527344	108.0
294.09417724609375	348.0
294.1186218261719	536.0
294.1619567871094	296.0
294.1961975097656	160.0
294.2906799316406	168.0
294.5035095214844	172.0
295.0928955078125	880.0
295.1269836425781	892.0
295.3242492675781	96.0
296.0944519042969	596.0
296.137451171875	1024.0
296.3782043457031	140.0
296.52215576171875	148.0
297.06304931640625	644.0
297.1077575683594	1532.0
297.1482849121094	464.0
297.343017578125	124.0
297.4678955078125	180.0
298.07501220703125	476.0
298.1117858886719	7960.0
298.3152160644531	224.0
299.0828552246094	2552.0
299.11334228515625	1504.0
299.60089111328125	140.0
299.7471618652344	160.0
300.1163330078125	1152.0
300.607666015625	152.0
300.7491760253906	140.0
301.10113525390625	1156.0
301.1714782714844	132.0
301.4111633300781	116.0
301.48260498046875	168.0
301.74749755859375	152.0
302.1300354003906	3948.0
302.29400634765625	96.0
302.7417297363281	104.0
302.7715759277344	156.0
303.0765380859375	556.0
303.1335144042969	764.0
303.1657409667969	252.0
303.32611083984375	176.0
303.3763122558594	108.0
303.5410461425781	192.0
303.59027099609375	144.0
303.9330139160156	220.0
304.08697509765625	536.0
304.14227294921875	528.0
304.3689270019531	164.0
304.52508544921875	116.0
304.6725158691406	164.0
304.90185546875	232.0
305.0928955078125	8948.0
305.1444091796875	376.0
305.6479187011719	132.0
306.0428161621094	140.0
306.0968933105469	732.0
306.160400390625	500.0
306.5247497558594	112.0
307.1039733886719	176.0
307.1671142578125	492.0
307.5382385253906	128.0
307.6500549316406	180.0
307.6849670410156	160.0
308.10516357421875	364.0
308.177001953125	276.0
308.3695983886719	152.0
308.43768310546875	212.0
308.8905944824219	156.0
309.1099853515625	556.0
309.1340026855469	772.0
309.39801025390625	160.0
309.4610290527344	156.0
309.61859130859375	164.0
309.6466064453125	148.0
309.8007507324219	176.0
309.8910217285156	104.0
309.990966796875	160.0
310.0546875	104.0
310.1116027832031	384.0
310.1576843261719	468.0
310.1910400390625	136.0
310.2377624511719	204.0
310.3175048828125	96.0
310.92626953125	152.0
311.048828125	188.0
311.08917236328125	1072.0
311.11810302734375	2252.0
311.17578125	148.0
311.3756408691406	172.0
311.707763671875	96.0
311.822998046875	168.0
311.90771484375	172.0
312.114501953125	3780.0
312.5828552246094	208.0
312.8102111816406	140.0
313.0531311035156	140.0
313.12799072265625	1244.0
313.3253479003906	184.0
313.6142272949219	120.0
313.6968994140625	144.0
313.8812255859375	204.0
314.1300964355469	1212.0
314.24346923828125	148.0
314.2717590332031	116.0
314.4825744628906	148.0
314.5712890625	168.0
314.841064453125	140.0
315.1363525390625	540.0
315.36395263671875	156.0
315.6953125	148.0
315.8023681640625	144.0
315.8606872558594	116.0
315.9966735839844	116.0
316.0885925292969	232.0
316.1455993652344	1468.0
316.3118896484375	176.0
316.7076416015625	128.0
316.83599853515625	156.0
316.86944580078125	96.0
316.9493713378906	156.0
317.0804748535156	156.0
317.1537780761719	440.0
317.4825439453125	164.0
317.76708984375	108.0
318.0816345214844	504.0
318.157470703125	296.0
318.2647705078125	164.0
318.5423278808594	152.0
318.6422119140625	132.0
319.11358642578125	144.0
319.15191650390625	120.0
319.22607421875	240.0
320.0459289550781	212.0
320.1224670410156	240.0
320.1436462402344	444.0
320.5667419433594	140.0
320.69146728515625	208.0
320.9124755859375	272.0
321.1451721191406	300.0
321.2958679199219	208.0
321.733642578125	96.0
321.8365783691406	148.0
321.8722839355469	144.0
321.918701171875	144.0
321.995849609375	160.0
322.0687255859375	176.0
322.11676025390625	364.0
322.151611328125	332.0
322.1937255859375	144.0
322.32464599609375	132.0
322.3775329589844	136.0
322.4277648925781	136.0
322.6270751953125	140.0
323.0838928222656	168.0
323.12548828125	2160.0
323.1617126464844	4268.0
323.2658386230469	180.0
323.320068359375	172.0
323.5777893066406	160.0
323.6171569824219	176.0
323.9287414550781	208.0
324.0108947753906	124.0
324.0419921875	116.0
324.1274719238281	2020.0
324.1668395996094	1000.0
324.3981628417969	148.0
324.9109802246094	200.0
324.94024658203125	156.0
325.1318054199219	320.0
325.221435546875	100.0
325.2515869140625	144.0
325.4565124511719	160.0
325.48126220703125	176.0
326.03125	216.0
326.1044616699219	2540.0
326.165771484375	1072.0
326.2292785644531	104.0
326.4608459472656	120.0
326.62255859375	104.0
326.77044677734375	100.0
326.9825744628906	184.0
327.11566162109375	796.0
327.17352294921875	3588.0
327.4686279296875	168.0
327.6402587890625	212.0
327.6943359375	124.0
327.7882080078125	120.0
328.11102294921875	1700.0
328.1507568359375	384.0
328.1777038574219	1128.0
328.2812194824219	228.0
328.447265625	264.0
328.68798828125	132.0
328.80889892578125	220.0
329.1128845214844	828.0
329.1572570800781	184.0
329.1773681640625	244.0
330.0386657714844	148.0
330.12274169921875	1592.0
330.18438720703125	148.0
330.27978515625	136.0
330.4122619628906	164.0
331.0456848144531	152.0
331.121826171875	252.0
331.65069580078125	164.0
331.7123107910156	148.0
331.7739562988281	144.0
331.9330139160156	212.0
332.0937194824219	196.0
332.14111328125	192.0
332.2453918457031	148.0
332.3832702636719	164.0
332.5284118652344	140.0
333.11102294921875	220.0
333.1648864746094	192.0
333.3215026855469	176.0
333.54681396484375	188.0
334.4300842285156	112.0
334.99005126953125	160.0
335.092041015625	152.0
335.241455078125	140.0
335.6424255371094	140.0
336.052001953125	224.0
336.1252136230469	236.0
336.170166015625	324.0
336.4852294921875	180.0
337.09521484375	256.0
337.1382141113281	120.0
337.17559814453125	188.0
337.24871826171875	148.0
337.6216125488281	172.0
337.730224609375	116.0
338.0057373046875	172.0
338.06427001953125	152.0
338.1301574707031	124.0
338.1864318847656	2736.0
339.1148986816406	316.0
339.1470031738281	124.0
339.1877136230469	560.0
339.2574462890625	104.0
339.3902893066406	148.0
339.6470031738281	164.0
339.99554443359375	156.0
340.0518493652344	176.0
340.1495361328125	268.0
340.20062255859375	284.0
340.4674072265625	104.0
340.7152404785156	304.0
340.8916015625	144.0
341.1546325683594	8412.0
341.257080078125	204.0
341.36822509765625	108.0
341.5009765625	100.0
341.6018981933594	104.0
342.15655517578125	1912.0
342.37042236328125	160.0
342.4010925292969	172.0
342.7388000488281	148.0
343.1335144042969	1692.0
343.16802978515625	4784.0
343.5154724121094	120.0
343.6767272949219	160.0
343.7232971191406	144.0
343.87188720703125	120.0
344.13763427734375	740.0
344.17156982421875	1512.0
344.6094665527344	164.0
344.6648864746094	140.0
344.8016052246094	156.0
344.8879089355469	184.0
345.1146545410156	132.0
345.1556091308594	308.0
346.1186218261719	296.0
346.16668701171875	120.0
346.2740783691406	204.0
346.3037109375	156.0
346.67230224609375	220.0
346.7853698730469	156.0
347.129150390625	396.0
348.1339416503906	236.0
348.24810791015625	180.0
348.3215026855469	184.0
348.4255065917969	148.0
348.4901428222656	152.0
348.6781921386719	180.0
349.1412048339844	824.0
349.26190185546875	140.0
349.3772277832031	144.0
349.4590759277344	152.0
349.9466552734375	236.0
350.1458435058594	136.0
350.39727783203125	196.0
350.7997741699219	172.0
350.95635986328125	176.0
351.04583740234375	180.0
351.1588134765625	152.0
351.6278076171875	140.0
352.0608825683594	196.0
352.14605712890625	596.0
352.25970458984375	136.0
352.4157409667969	196.0
352.6184387207031	148.0
352.80816650390625	252.0
353.0534362792969	140.0
353.1105651855469	272.0
353.1463317871094	384.0
353.5113220214844	168.0
354.16168212890625	140.0
354.2201232910156	120.0
354.3517761230469	156.0
354.60113525390625	144.0
354.8354797363281	124.0
354.8651123046875	144.0
354.9385070800781	196.0
355.1185302734375	172.0
355.1511535644531	204.0
355.3592834472656	156.0
355.4711608886719	168.0
355.7939453125	144.0
356.1403503417969	948.0
356.1762390136719	1324.0
356.50958251953125	256.0
356.7970275878906	164.0
356.8787536621094	208.0
357.0827941894531	140.0
357.13580322265625	556.0
357.182861328125	396.0
357.2621154785156	148.0
357.4002380371094	104.0
357.4685363769531	120.0
357.8429260253906	172.0
357.8785095214844	140.0
357.90692138671875	220.0
357.9546813964844	200.0
358.0962829589844	248.0
358.1425476074219	240.0
358.1935119628906	46008.0
358.4255065917969	144.0
358.4658203125	204.0
358.7799987792969	180.0
358.9364013671875	112.0
359.0125732421875	96.0
359.1253662109375	124.0
359.1502380371094	320.0
359.1967468261719	9184.0
359.30950927734375	116.0
359.7981872558594	100.0
360.05316162109375	180.0
360.1129455566406	200.0
360.19744873046875	1564.0
360.3535461425781	100.0
360.4253234863281	120.0
360.4841613769531	112.0
361.1196594238281	188.0
361.1523132324219	168.0
361.18426513671875	196.0
361.2900390625	176.0
361.4378967285156	320.0
361.5643310546875	160.0
361.67523193359375	164.0
361.716064453125	100.0
362.18951416015625	180.0
362.2513427734375	164.0
362.3970031738281	120.0
362.5065002441406	108.0
362.74652099609375	180.0
363.2508850097656	144.0
363.2774353027344	152.0
363.31536865234375	204.0
363.6816101074219	100.0
363.8717956542969	112.0
363.9023742675781	356.0
364.08209228515625	284.0
364.1661376953125	19176.0
364.6162109375	236.0
364.9978942871094	164.0
365.1689147949219	5912.0
365.4569091796875	112.0
365.5768127441406	104.0
365.7359313964844	184.0
366.0973815917969	136.0
366.1719665527344	840.0
366.26007080078125	116.0
366.3812255859375	140.0
366.5090026855469	168.0
367.1778259277344	320.0
367.2848205566406	112.0
367.345947265625	144.0
367.4184265136719	192.0
367.5243835449219	180.0
367.75445556640625	216.0
367.82635498046875	132.0
368.1002197265625	156.0
368.1432189941406	204.0
368.57745361328125	176.0
368.63824462890625	144.0
369.0969543457031	200.0
369.14984130859375	548.0
369.30218505859375	168.0
369.37994384765625	152.0
370.1396789550781	480.0
370.8047790527344	140.0
370.9154357910156	180.0
371.15936279296875	520.0
371.6556091308594	164.0
372.0185241699219	136.0
372.15631103515625	168.0
372.5616760253906	148.0
372.7323303222656	188.0
372.77532958984375	144.0
372.813720703125	220.0
372.8427734375	256.0
373.0843200683594	144.0
373.14276123046875	5452.0
373.24578857421875	176.0
373.289306640625	120.0
373.6650390625	172.0
374.1424560546875	636.0
374.51092529296875	140.0
374.6197814941406	140.0
374.7857971191406	168.0
374.8702087402344	144.0
374.9511413574219	212.0
375.14910888671875	252.0
375.3636169433594	196.0
375.4870300292969	184.0
376.8675231933594	140.0
377.1047058105469	192.0
377.7929992675781	104.0
377.88970947265625	212.0
378.1456604003906	140.0
378.593017578125	156.0
378.9173278808594	132.0
379.363525390625	228.0
379.50091552734375	144.0
380.08416748046875	96.0
380.3809509277344	128.0
380.7364196777344	124.0
381.4264831542969	208.0
381.7219543457031	156.0
381.90863037109375	220.0
382.1186828613281	220.0
382.1771240234375	4848.0
382.3917541503906	112.0
382.5647277832031	156.0
382.60198974609375	152.0
382.7197570800781	156.0
382.7923583984375	144.0
382.8405456542969	204.0
382.9236755371094	120.0
382.9867858886719	300.0
383.0685729980469	188.0
383.18170166015625	812.0
383.3865661621094	156.0
383.5398254394531	124.0
383.57000732421875	160.0
383.6236267089844	256.0
383.7651672363281	104.0
383.84674072265625	284.0
383.8924865722656	112.0
384.0318603515625	136.0
384.08026123046875	284.0
384.17279052734375	101240.0
384.3038330078125	276.0
384.34173583984375	300.0
384.4160461425781	320.0
384.4925231933594	164.0
384.6539306640625	100.0
384.81341552734375	96.0
384.8653869628906	260.0
384.95843505859375	112.0
385.17425537109375	21556.0
385.3523864746094	176.0
385.4152526855469	112.0
385.4974060058594	176.0
385.5827941894531	112.0
385.7962341308594	268.0
385.8461608886719	100.0
385.8894958496094	132.0
385.9271240234375	184.0
386.1766662597656	3436.0
386.282470703125	148.0
386.4142150878906	180.0
386.45703125	140.0
386.5315856933594	160.0
386.84295654296875	120.0
386.87908935546875	208.0
386.9571533203125	144.0
387.1619873046875	1552.0
387.21551513671875	164.0
387.3646240234375	108.0
387.4767150878906	112.0
387.56072998046875	96.0
387.59149169921875	100.0
387.6484680175781	140.0
387.7841491699219	256.0
387.8340759277344	124.0
388.045166015625	112.0
388.16510009765625	260.0
388.2621765136719	108.0
388.44354248046875	128.0
388.5636291503906	148.0
388.6146545410156	124.0
389.08172607421875	144.0
389.1734313964844	148.0
389.2018737792969	492.0
389.4122009277344	112.0
389.69189453125	164.0
389.7879333496094	100.0
390.46234130859375	164.0
390.54425048828125	184.0
391.04248046875	132.0
391.74945068359375	188.0
391.99871826171875	196.0
392.1426086425781	112.0
392.2397155761719	144.0
392.29864501953125	164.0
392.4075927734375	156.0
392.6670227050781	212.0
393.618896484375	192.0
393.68206787109375	148.0
394.16796875	140.0
394.2752990722656	148.0
394.3971862792969	148.0
394.4507141113281	104.0
394.61248779296875	120.0
394.7015686035156	204.0
395.2523498535156	152.0
395.294921875	212.0
395.6889343261719	184.0
395.8161315917969	172.0
395.8551330566406	100.0
395.91314697265625	168.0
395.9824523925781	132.0
396.2198791503906	144.0
396.7262268066406	172.0
396.82196044921875	144.0
397.0351257324219	168.0
397.11285400390625	104.0
397.21246337890625	152.0
397.3612365722656	96.0
397.51983642578125	136.0
397.8783874511719	104.0
397.95947265625	124.0
398.1001281738281	148.0
398.25616455078125	104.0
398.5362854003906	156.0
398.604248046875	108.0
398.91900634765625	244.0
398.9987487792969	156.0
399.0696716308594	128.0
399.1640319824219	124.0
399.1909484863281	204.0
399.23345947265625	104.0
399.3134460449219	240.0
399.6114807128906	136.0
399.6988220214844	116.0
399.7649230957031	144.0
399.818603515625	168.0
399.85247802734375	108.0
399.9338684082031	192.0
400.011962890625	160.0
400.06695556640625	272.0
400.1105651855469	236.0
400.16754150390625	392.0
400.27301025390625	204.0
400.318115234375	272.0
400.397705078125	304.0
400.43682861328125	104.0
400.5544738769531	276.0
400.6042175292969	208.0
400.6424560546875	324.0
400.6976318359375	236.0
400.8011474609375	252.0
400.8626403808594	376.0
400.9600524902344	268.0
401.0337829589844	276.0
401.0599060058594	464.0
401.0953369140625	228.0
401.12567138671875	148.0
401.1658020019531	260.0
401.2294921875	172.0
401.27911376953125	308.0
401.3192443847656	208.0
401.3865051269531	232.0
401.4559631347656	372.0
401.505615234375	148.0
401.54510498046875	288.0
401.59930419921875	184.0
401.6701354980469	468.0
401.748291015625	296.0
401.8430480957031	480.0
401.8966979980469	500.0
401.9346618652344	232.0
401.9846496582031	636.0
402.0103454589844	692.0
402.0436096191406	848.0
402.095703125	1000.0
402.1855773925781	251184.0
402.3261413574219	100.0
402.4527893066406	308.0
402.55706787109375	2252.0
402.6006774902344	448.0
402.6825866699219	812.0
402.7315673828125	664.0
402.792236328125	1708.0
402.85516357421875	11012.0
402.995361328125	164.0
403.0241394042969	264.0
403.0559387207031	300.0
403.18804931640625	174052.0
403.4638671875	540.0
403.54888916015625	604.0
403.6060485839844	228.0
403.6835632324219	156.0
403.75616455078125	256.0
403.7963562011719	156.0
403.8453674316406	3040.0
403.8938903808594	236.0
403.95147705078125	248.0
404.01556396484375	104.0
404.0637512207031	152.0
404.09228515625	112.0
404.12823486328125	380.0
404.18951416015625	33724.0
404.3074035644531	188.0
404.44439697265625	208.0
404.4895935058594	372.0
404.53857421875	224.0
404.6127624511719	160.0
404.660400390625	128.0
404.7418518066406	100.0
404.794189453125	192.0
404.9121398925781	192.0
405.1098937988281	288.0
405.1890563964844	3304.0
405.2864074707031	256.0
405.3229675292969	156.0
405.3669738769531	148.0
405.41552734375	264.0
405.4632568359375	324.0
405.4870300292969	316.0
405.5547790527344	224.0
405.5987548828125	168.0
405.646240234375	212.0
405.6781005859375	324.0
405.7079772949219	320.0
405.7608947753906	368.0
405.8258972167969	232.0
405.8887023925781	248.0
405.99432373046875	160.0
406.0853271484375	244.0
406.1371765136719	104.0
406.1991271972656	304.0
406.2491760253906	160.0
406.28704833984375	160.0
406.4402160644531	168.0
406.51177978515625	120.0
406.57440185546875	160.0
406.65447998046875	112.0
406.7096252441406	192.0
406.7545471191406	268.0
406.80792236328125	216.0
406.8870544433594	156.0
406.99676513671875	96.0
407.2302551269531	200.0
407.2890319824219	304.0
407.4117126464844	204.0
407.5229187011719	104.0
407.6977233886719	204.0
407.74267578125	132.0
408.01007080078125	136.0
409.1341247558594	96.0
409.175048828125	104.0
411.18670654296875	140.0
411.2304992675781	104.0
412.2530517578125	120.0
416.61566162109375	144.0
416.6877136230469	112.0
416.9580993652344	148.0
417.2523193359375	112.0
417.3253173828125	232.0
418.371337890625	96.0
419.86480712890625	100.0
420.42584228515625	204.0
422.27362060546875	96.0
422.86663818359375	120.0
424.8756408691406	116.0
426.02239990234375	112.0
426.1092529296875	148.0
441.23095703125	128.0
443.2078552246094	116.0
450.38275146484375	100.0
496.40081787109375	96.0
507.35333251953125	124.0
517.9396362304688	140.0
525.4677124023438	152.0
533.861572265625	100.0
536.7279663085938	188.0
563.4672241210938	140.0
564.9417114257812	108.0
565.8324584960938	100.0
594.6635131835938	96.0
596.6949462890625	144.0
603.1883544921875	164.0
756.6575317382812	144.0
756.7286987304688	148.0
790.0136108398438	148.0
801.7455444335938	124.0
804.8152465820312	120.0
910.3214111328125	108.0
975.0233764648438	148.0
991.4993286132812	168.0
994.8853759765625	96.0
1016.0532836914062	140.0
1054.177490234375	144.0
1258.1668701171875	144.0
1301.6209716796875	148.0
1301.88671875	168.0
1346.8936767578125	144.0
1388.538818359375	188.0
1424.072998046875	160.0
1434.8712158203125	208.0
1456.3016357421875	152.0
1474.9693603515625	152.0
1478.2733154296875	168.0
1479.2376708984375	148.0
1502.8853759765625	172.0
1516.4415283203125	164.0
1562.6322021484375	156.0
1562.79736328125	144.0
1564.6390380859375	188.0
1600.935546875	148.0
1611.065185546875	156.0
1613.2069091796875	152.0
1619.160888671875	152.0
1651.4581298828125	140.0
1656.906005859375	164.0
1671.1546630859375	144.0
1674.7772216796875	208.0
1684.6717529296875	168.0
1687.2052001953125	164.0
1694.814208984375	108.0
1702.8887939453125	224.0
1713.99462890625	172.0
1723.0704345703125	208.0
1749.66748046875	212.0
1750.5667724609375	144.0
1761.8851318359375	148.0
1764.3004150390625	160.0
1793.1673583984375	196.0
1793.8162841796875	148.0
1796.4388427734375	204.0
1809.0555419921875	256.0
1815.147216796875	156.0
1827.0634765625	152.0
1836.8685302734375	140.0
1841.1190185546875	144.0
1842.690673828125	184.0
1860.5472412109375	144.0
1865.521240234375	156.0
1871.7330322265625	144.0
1890.7158203125	208.0
1900.16943359375	196.0
1934.007080078125	160.0
1939.8671875	184.0
1957.785888671875	116.0
1977.25732421875	160.0
1994.07275390625	144.0
1996.828857421875	176.0
1997.8785400390625	144.0
2000.031982421875	140.0
2002.8634033203125	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078943
PEPMASS=201.597153
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Moxifloxacin hydrochloride [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc4c(=O)c(cn(C5CC5)c14)C(=O)O
INCHI=InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
INCHIAUX=FABPRXSRWADJSP-MEDUHNTESA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078943
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078943
SCANS=1070
51.88134002685547	216.0
81.61767578125	200.0
84.94867706298828	144.0
93.0408706665039	152.0
94.06500244140625	152.0
94.95893096923828	192.0
96.07877349853516	280.0
97.50682067871094	200.0
97.81168365478516	140.0
98.0938949584961	316.0
108.0811996459961	152.0
108.26335906982422	148.0
109.4990463256836	152.0
110.09693145751953	712.0
110.91775512695312	184.0
111.10018920898438	468.0
116.83443450927734	160.0
121.04743194580078	176.0
122.04253387451172	164.0
122.05901336669922	176.0
124.02164459228516	160.0
125.77215576171875	164.0
126.86825561523438	236.0
128.95828247070312	248.0
135.0485076904297	144.0
135.7200927734375	208.0
135.95205688476562	164.0
136.0628204345703	204.0
137.0379638671875	176.0
138.03012084960938	216.0
139.0335693359375	236.0
140.5928497314453	152.0
142.91270446777344	152.0
142.97457885742188	168.0
143.55345153808594	164.0
144.0116729736328	184.0
148.04495239257812	168.0
149.0540771484375	364.0
150.05931091308594	144.0
150.56198120117188	252.0
150.96031188964844	144.0
150.97987365722656	148.0
153.02142333984375	152.0
155.02960205078125	144.0
155.06057739257812	152.0
155.55044555664062	160.0
158.04513549804688	248.0
158.5609893798828	180.0
158.5946807861328	224.0
158.96176147460938	200.0
159.04721069335938	112.0
159.9474334716797	160.0
161.0265655517578	152.0
162.05641174316406	184.0
163.0788116455078	232.0
164.04696655273438	136.0
164.55885314941406	260.0
164.9267120361328	152.0
165.04837036132812	176.0
168.0369873046875	212.0
168.31272888183594	184.0
169.0804901123047	180.0
171.54019165039062	144.0
171.5845184326172	148.0
173.05020141601562	160.0
174.57472229003906	212.0
175.06629943847656	300.0
176.04002380371094	180.0
176.10592651367188	140.0
176.557861328125	236.0
177.0204315185547	332.0
177.04627990722656	100.0
178.0525665283203	180.0
178.58876037597656	160.0
179.02377319335938	200.0
179.0631866455078	188.0
179.0924835205078	208.0
181.54861450195312	172.0
184.05267333984375	204.0
184.0997772216797	144.0
185.5663604736328	164.0
186.06283569335938	216.0
186.57357788085938	220.0
187.0714111328125	168.0
189.03408813476562	152.0
189.59791564941406	148.0
190.0271453857422	172.0
190.0503692626953	176.0
190.09153747558594	164.0
191.0366668701172	176.0
191.06634521484375	312.0
192.01052856445312	120.0
192.03231811523438	120.0
192.1220703125	148.0
192.2158660888672	164.0
192.56021118164062	224.0
192.59036254882812	19796.0
193.0915985107422	5404.0
193.13583374023438	172.0
193.32296752929688	144.0
193.5921173095703	524.0
193.64146423339844	188.0
193.96353149414062	100.0
194.08706665039062	196.0
194.23043823242188	200.0
194.72955322265625	220.0
195.06297302246094	184.0
199.0453643798828	124.0
199.07962036132812	144.0
200.9864044189453	188.0
201.0614471435547	176.0
201.0900115966797	124.0
201.13880920410156	108.0
201.19808959960938	180.0
201.22067260742188	200.0
201.3662109375	168.0
201.43641662597656	172.0
201.50074768066406	96.0
201.54641723632812	156.0
201.59556579589844	58028.0
201.66725158691406	224.0
201.7305908203125	228.0
201.78750610351562	104.0
201.85586547851562	216.0
201.97335815429688	120.0
202.06031799316406	184.0
202.096435546875	11748.0
202.15370178222656	104.0
202.1802520751953	244.0
202.36129760742188	160.0
202.54074096679688	120.0
202.59715270996094	1088.0
202.67672729492188	108.0
202.77899169921875	108.0
203.0250244140625	160.0
203.06082153320312	108.0
203.0947265625	544.0
203.39837646484375	124.0
203.9268798828125	152.0
204.01327514648438	220.0
204.03114318847656	288.0
204.08038330078125	132.0
204.20297241210938	100.0
205.0178985595703	908.0
205.53585815429688	160.0
206.02699279785156	356.0
206.08779907226562	392.0
209.29847717285156	268.0
213.60491943359375	160.0
214.0880584716797	156.0
215.07058715820312	140.0
216.03604125976562	180.0
217.01812744140625	204.0
217.07461547851562	252.0
218.02996826171875	308.0
218.06982421875	184.0
219.02938842773438	228.0
219.0780487060547	168.0
220.00323486328125	944.0
221.00900268554688	304.0
222.0232391357422	168.0
222.60850524902344	220.0
223.02444458007812	156.0
224.07138061523438	140.0
227.0991973876953	116.0
228.03294372558594	232.0
228.06607055664062	112.0
229.04302978515625	272.0
230.0861053466797	352.0
231.02352905273438	164.0
231.06044006347656	168.0
232.02322387695312	764.0
232.06898498535156	144.0
232.3662109375	188.0
233.0368194580078	604.0
234.04714965820312	212.0
234.10484313964844	160.0
235.05348205566406	100.0
236.0415802001953	432.0
236.0853729248047	168.0
237.0637664794922	148.0
238.0139923095703	672.0
238.08038330078125	188.0
239.0210418701172	192.0
240.0449981689453	148.0
241.04803466796875	268.0
242.12966918945312	204.0
243.02552795410156	152.0
244.0564422607422	552.0
245.05499267578125	180.0
246.04025268554688	260.0
247.05210876464844	4904.0
248.0550079345703	1104.0
249.03036499023438	132.0
249.0537872314453	248.0
249.0883331298828	184.0
250.04661560058594	124.0
251.0431671142578	112.0
252.0592803955078	144.0
253.12193298339844	144.0
254.05926513671875	128.0
255.05661010742188	136.0
256.05126953125	216.0
256.1010437011719	264.0
258.047607421875	160.0
258.1035461425781	152.0
258.1339111328125	240.0
259.0489196777344	268.0
259.0845031738281	160.0
260.0544128417969	308.0
261.0231018066406	244.0
261.06573486328125	892.0
262.03375244140625	140.0
262.0675354003906	696.0
263.04461669921875	104.0
264.0673828125	140.0
265.0632019042969	1532.0
266.06585693359375	188.0
269.0650939941406	152.0
270.07891845703125	132.0
270.1138916015625	144.0
271.04742431640625	188.0
272.0484619140625	132.0
273.0586242675781	228.0
274.0603332519531	104.0
275.0681457519531	260.0
276.0823059082031	140.0
278.07696533203125	212.0
279.07830810546875	408.0
280.075927734375	224.0
281.04315185546875	140.0
281.0924987792969	324.0
283.0639953613281	112.0
283.098876953125	144.0
285.0642395019531	152.0
285.10693359375	104.0
287.0802307128906	176.0
290.09814453125	268.0
295.0810241699219	140.0
296.1099853515625	132.0
299.085693359375	220.0
301.1187438964844	280.0
303.0904235839844	168.0
308.11102294921875	192.0
309.10711669921875	144.0
310.09930419921875	116.0
312.1028747558594	172.0
313.130615234375	208.0
314.0849304199219	148.0
314.12103271484375	140.0
316.1026306152344	160.0
317.1070556640625	136.0
322.6225891113281	180.0
324.1398620605469	272.0
325.10833740234375	164.0
327.11053466796875	692.0
329.11328125	680.0
331.1036071777344	176.0
334.1229248046875	168.0
340.6343994140625	144.0
342.1307067871094	188.0
343.13922119140625	168.0
344.0628662109375	176.0
344.14190673828125	13508.0
344.2198181152344	156.0
345.143310546875	2504.0
346.1549377441406	248.0
347.2970275878906	160.0
347.3770446777344	112.0
362.1524963378906	632.0
363.1575012207031	124.0
643.22998046875	168.0
1657.0113525390625	172.0
1799.0380859375	160.0
1842.1695556640625	172.0
1897.3248291015625	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078944
PEPMASS=340.110229
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TOPIRAMATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC1(C)O[C@@H]2CO[C@@]3(COS(=O)(=O)N)OC(C)(C)O[C@H]3[C@@H]2O1
INCHI=InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
INCHIAUX=KJADKKWYZYXHBB-XBWDGYHZSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078944
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078944
SCANS=1203
66.38119506835938	144.0
67.59150695800781	168.0
86.38542938232422	228.0
95.0771484375	172.0
96.05776977539062	216.0
97.03109741210938	328.0
98.06761169433594	236.0
99.00408172607422	152.0
99.05016326904297	240.0
106.0361557006836	164.0
107.05101013183594	304.0
109.03288269042969	236.0
109.06405639648438	152.0
111.45906829833984	172.0
112.03976440429688	200.0
113.0584487915039	164.0
114.76748657226562	192.0
116.0675277709961	156.0
120.0377197265625	208.0
124.07689666748047	344.0
125.0614013671875	164.0
126.05115509033203	152.0
127.03840637207031	648.0
132.76365661621094	176.0
137.0634002685547	160.0
139.07321166992188	164.0
140.00210571289062	344.0
140.07159423828125	168.0
143.06834411621094	136.0
145.0499267578125	180.0
148.0689697265625	168.0
149.05908203125	140.0
151.684814453125	192.0
165.07476806640625	164.0
167.07025146484375	444.0
167.99203491210938	140.0
175.99900817871094	188.0
180.00144958496094	216.0
182.11196899414062	160.0
184.09588623046875	2384.0
185.08164978027344	1388.0
185.1244354248047	192.0
186.09375	176.0
188.98472595214844	328.0
191.9976806640625	152.0
204.03439331054688	196.0
206.01206970214844	472.0
206.99366760253906	272.0
210.85595703125	140.0
217.56724548339844	144.0
224.02316284179688	1356.0
224.598388671875	188.0
225.02647399902344	152.0
226.21795654296875	180.0
239.04226684570312	164.0
239.10865783691406	108.0
239.9138946533203	156.0
240.108154296875	148.0
246.0441436767578	144.0
255.51812744140625	160.0
263.12396240234375	160.0
264.0539245605469	2800.0
265.0571594238281	524.0
266.0457763671875	296.0
274.5114440917969	168.0
282.0697937011719	324.0
282.1522216796875	608.0
283.1518859863281	140.0
284.1593933105469	148.0
306.109375	152.0
322.094482421875	132.0
338.1699523925781	172.0
338.25048828125	208.0
341.1778259277344	144.0
1348.2508544921875	144.0
1463.37939453125	144.0
1658.800048828125	228.0
1954.980224609375	248.0
1976.3255615234375	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078945
PEPMASS=306.084778
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Sertraline [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13
INCHI=InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
INCHIAUX=VGKDLMBJGBXTGI-SJCJKPOMSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078945
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078945
SCANS=1257
45.04100036621094	164.0
45.1104850769043	144.0
45.61720657348633	164.0
45.8680534362793	216.0
46.057838439941406	144.0
46.233604431152344	140.0
46.42894744873047	168.0
46.5033073425293	232.0
46.52680969238281	256.0
46.621463775634766	176.0
46.633697509765625	220.0
46.75746154785156	148.0
46.878665924072266	172.0
47.144775390625	140.0
47.176212310791016	160.0
47.95120620727539	164.0
48.0234489440918	176.0
48.114524841308594	172.0
48.199317932128906	204.0
48.407649993896484	156.0
48.91023635864258	164.0
48.96428680419922	132.0
48.98960876464844	152.0
49.18343734741211	172.0
49.44900131225586	156.0
49.50780487060547	168.0
49.55683135986328	168.0
49.67459487915039	180.0
49.78266525268555	180.0
49.918975830078125	240.0
50.02309036254883	148.0
50.2175407409668	172.0
50.275386810302734	148.0
50.380699157714844	148.0
50.625980377197266	152.0
50.65005874633789	148.0
50.67555618286133	148.0
50.693538665771484	168.0
51.13707733154297	192.0
51.33938217163086	260.0
51.389305114746094	180.0
51.612037658691406	192.0
51.765235900878906	188.0
52.45775604248047	216.0
52.49235916137695	156.0
52.70888137817383	188.0
53.00117492675781	176.0
53.36985397338867	148.0
53.38584899902344	212.0
53.473140716552734	268.0
53.7004280090332	232.0
53.72230529785156	160.0
53.869747161865234	212.0
53.890201568603516	148.0
54.010074615478516	188.0
54.20186233520508	176.0
54.245826721191406	188.0
54.65411376953125	176.0
54.75863265991211	140.0
54.79988098144531	160.0
55.208763122558594	156.0
55.598236083984375	120.0
55.77512741088867	188.0
55.92684555053711	260.0
56.0623779296875	196.0
56.199562072753906	164.0
56.43555450439453	152.0
56.4834098815918	168.0
56.54242706298828	180.0
56.56421661376953	200.0
56.59415817260742	144.0
56.79947280883789	188.0
56.88050079345703	200.0
57.080318450927734	188.0
57.09084701538086	176.0
57.34678649902344	156.0
57.42518615722656	148.0
57.64560317993164	152.0
57.77714538574219	152.0
57.7983283996582	156.0
57.81800079345703	168.0
58.008846282958984	152.0
58.02552032470703	140.0
58.046749114990234	192.0
58.07707977294922	172.0
58.2805061340332	164.0
58.48428726196289	180.0
58.578697204589844	220.0
58.93569564819336	160.0
59.13542175292969	152.0
59.181949615478516	188.0
59.24934005737305	152.0
59.27184295654297	128.0
59.43332290649414	196.0
59.79137420654297	176.0
59.82831573486328	224.0
60.249332427978516	168.0
60.29259490966797	232.0
60.34051513671875	156.0
60.63152313232422	208.0
61.074012756347656	168.0
61.22965621948242	148.0
61.318458557128906	304.0
61.33248519897461	172.0
61.73373031616211	176.0
62.0688362121582	164.0
62.272850036621094	216.0
62.40170669555664	164.0
62.57949447631836	160.0
62.62043762207031	196.0
62.68660354614258	280.0
62.948463439941406	188.0
63.07741928100586	212.0
63.15549850463867	176.0
63.17131423950195	152.0
63.1918830871582	180.0
63.39614486694336	184.0
63.518226623535156	152.0
63.56106185913086	152.0
63.57217025756836	148.0
63.602325439453125	172.0
63.926544189453125	140.0
64.0698471069336	176.0
64.22606658935547	184.0
64.3744888305664	168.0
64.50959777832031	128.0
64.79996490478516	240.0
64.87689208984375	144.0
65.17220306396484	152.0
65.19469451904297	216.0
65.48023223876953	248.0
65.66598510742188	152.0
65.82294464111328	184.0
65.91340637207031	152.0
66.12525177001953	212.0
66.50289154052734	196.0
66.71846771240234	192.0
66.73682403564453	188.0
66.8897476196289	160.0
67.16838836669922	184.0
67.81261444091797	164.0
67.86015319824219	192.0
67.90770721435547	156.0
67.96570587158203	160.0
68.01435852050781	144.0
68.04226684570312	144.0
68.22236633300781	196.0
68.23823547363281	240.0
68.70880126953125	172.0
68.76820373535156	200.0
69.07388305664062	208.0
69.18475341796875	180.0
69.40013885498047	148.0
69.52952575683594	144.0
69.5660400390625	168.0
69.69725036621094	200.0
69.99832153320312	248.0
70.15234375	144.0
70.3768310546875	216.0
70.4503173828125	168.0
70.99429321289062	144.0
71.27462005615234	168.0
71.31968688964844	152.0
71.35530090332031	216.0
71.43770599365234	144.0
71.5437240600586	140.0
71.73408508300781	196.0
72.2000961303711	196.0
72.29483032226562	144.0
72.33036804199219	176.0
72.5302505493164	160.0
72.6998519897461	236.0
73.22886657714844	96.0
73.24561309814453	164.0
73.46209716796875	192.0
73.70282745361328	164.0
74.17860412597656	200.0
74.30191802978516	208.0
74.44831848144531	180.0
74.53215026855469	172.0
74.64559936523438	176.0
74.94854736328125	176.0
74.96233367919922	156.0
75.2383041381836	192.0
75.44075775146484	168.0
75.79695892333984	224.0
75.98768615722656	196.0
76.08140563964844	140.0
76.31594848632812	176.0
76.40986633300781	176.0
76.7181167602539	144.0
76.73729705810547	144.0
76.78089141845703	236.0
76.79833221435547	152.0
77.24199676513672	176.0
77.28923034667969	144.0
77.49584197998047	160.0
77.81855773925781	140.0
77.98896026611328	244.0
78.3338394165039	160.0
78.59123992919922	176.0
78.63359069824219	164.0
78.75188446044922	176.0
78.9215316772461	112.0
79.00642395019531	148.0
79.047119140625	152.0
79.1745834350586	176.0
79.19583129882812	164.0
79.32518768310547	188.0
79.4287109375	156.0
79.58106994628906	136.0
79.95038604736328	172.0
80.1337890625	200.0
80.6530990600586	172.0
81.04680633544922	168.0
81.2045669555664	216.0
81.31221008300781	172.0
81.38581085205078	164.0
81.39838409423828	152.0
81.41813659667969	156.0
81.7705078125	144.0
81.79010009765625	172.0
81.88033294677734	156.0
81.93617248535156	224.0
82.03215789794922	136.0
82.4666976928711	364.0
82.62039947509766	156.0
82.64210510253906	144.0
82.84125518798828	176.0
82.95178985595703	168.0
83.12953186035156	140.0
83.56744384765625	232.0
83.6001968383789	152.0
83.67118072509766	148.0
84.18354797363281	196.0
84.28218078613281	148.0
84.5052490234375	164.0
84.62787628173828	144.0
84.80191040039062	184.0
84.90824890136719	184.0
85.42621612548828	176.0
85.7816162109375	156.0
85.84799194335938	176.0
86.03065490722656	164.0
86.20379638671875	156.0
86.38361358642578	156.0
86.43171691894531	216.0
86.66316223144531	160.0
86.80218505859375	156.0
86.88935852050781	224.0
86.9283218383789	216.0
87.04520416259766	116.0
87.07260131835938	176.0
87.21804809570312	140.0
87.27195739746094	200.0
87.4877700805664	172.0
87.56411743164062	152.0
87.65104675292969	144.0
88.026611328125	148.0
88.20970153808594	288.0
88.66265106201172	176.0
88.74325561523438	160.0
88.94398498535156	164.0
89.07730865478516	160.0
89.33438110351562	228.0
89.58898162841797	220.0
89.62100982666016	248.0
89.96803283691406	180.0
90.03789520263672	160.0
90.10400390625	160.0
90.14557647705078	236.0
90.19849395751953	180.0
90.40653991699219	188.0
90.78352355957031	152.0
91.05418395996094	1928.0
91.10719299316406	152.0
91.12139129638672	172.0
91.2791519165039	156.0
91.50747680664062	148.0
91.54936981201172	156.0
91.66175842285156	212.0
92.01080322265625	204.0
92.06082916259766	180.0
92.07664489746094	216.0
92.17697143554688	168.0
92.29930877685547	176.0
92.70512390136719	228.0
92.93138885498047	168.0
92.96016693115234	204.0
93.15984344482422	160.0
93.33829498291016	208.0
93.5107650756836	168.0
93.57524871826172	192.0
93.68502044677734	184.0
93.72162628173828	164.0
93.76402282714844	184.0
93.79293823242188	180.0
93.85317993164062	208.0
94.0031509399414	188.0
94.06105041503906	204.0
94.10931396484375	168.0
94.5481185913086	140.0
94.73011779785156	180.0
94.96077728271484	164.0
95.0422592163086	140.0
95.11600494384766	152.0
95.47933197021484	140.0
95.9466552734375	160.0
96.20500183105469	144.0
96.5617446899414	164.0
96.67716979980469	176.0
96.69869232177734	156.0
96.98661041259766	168.0
97.07483673095703	204.0
97.64237976074219	184.0
97.8470230102539	368.0
98.11299133300781	148.0
98.63215637207031	196.0
98.72903442382812	172.0
98.91304016113281	148.0
99.0029067993164	296.0
99.2384033203125	204.0
99.31527709960938	196.0
99.41249084472656	140.0
99.52761840820312	200.0
99.64105224609375	124.0
99.71855163574219	180.0
99.82767486572266	188.0
99.85750579833984	160.0
100.5129165649414	160.0
100.77228546142578	120.0
100.86241149902344	192.0
100.99342346191406	184.0
101.03438568115234	168.0
101.35472869873047	204.0
101.47097778320312	152.0
101.49102783203125	156.0
101.56121826171875	144.0
101.58930206298828	144.0
101.85829162597656	212.0
101.92659759521484	148.0
102.06127166748047	168.0
102.22822570800781	208.0
102.39733123779297	156.0
102.49372100830078	156.0
102.78018951416016	200.0
102.9983901977539	176.0
103.0532455444336	184.0
103.156005859375	196.0
103.18834686279297	232.0
103.47361755371094	144.0
103.59512329101562	176.0
103.60930633544922	156.0
103.91747283935547	152.0
104.04867553710938	216.0
104.08792877197266	208.0
104.3785400390625	180.0
104.85710144042969	152.0
105.05064392089844	192.0
105.2220687866211	164.0
105.32621765136719	224.0
105.37319946289062	160.0
105.4140625	192.0
105.45494079589844	188.0
105.84158325195312	152.0
106.04234313964844	152.0
106.08128356933594	184.0
106.23918914794922	144.0
106.62315368652344	148.0
106.67864990234375	200.0
106.78762817382812	152.0
106.8501205444336	152.0
106.94841003417969	168.0
107.15618896484375	100.0
107.24176025390625	168.0
107.56950378417969	180.0
107.59455108642578	236.0
107.6263656616211	180.0
107.89260864257812	208.0
108.06867980957031	140.0
108.11006927490234	168.0
108.16801452636719	148.0
108.45386505126953	196.0
108.49532318115234	232.0
108.60107421875	188.0
109.16388702392578	144.0
109.45521545410156	152.0
109.65728759765625	240.0
109.92005157470703	160.0
109.98683166503906	192.0
110.03276062011719	184.0
110.17101287841797	140.0
110.431884765625	176.0
110.45907592773438	168.0
110.72698211669922	204.0
110.74164581298828	152.0
110.95538330078125	164.0
111.09379577636719	224.0
111.14624786376953	196.0
111.2008056640625	164.0
111.26798248291016	236.0
111.38009643554688	144.0
111.6567153930664	140.0
111.87764739990234	156.0
111.94291687011719	224.0
111.97240447998047	152.0
112.0714111328125	160.0
112.13040924072266	152.0
112.6005630493164	180.0
112.72764587402344	156.0
113.15702056884766	180.0
113.59358215332031	160.0
113.84827423095703	180.0
114.0926284790039	324.0
114.23591613769531	220.0
114.46070098876953	144.0
114.66409301757812	132.0
114.68439483642578	160.0
114.80567932128906	144.0
114.95738220214844	168.0
115.05426788330078	932.0
115.49983978271484	208.0
115.7718505859375	152.0
116.05687713623047	152.0
116.52798461914062	196.0
116.59109497070312	168.0
116.79032897949219	124.0
116.89525604248047	112.0
116.93975830078125	180.0
117.21541595458984	160.0
117.8087387084961	148.0
117.9503173828125	116.0
118.12651062011719	140.0
118.31910705566406	164.0
118.70044708251953	176.0
118.78502655029297	144.0
118.87156677246094	180.0
118.9673080444336	152.0
119.49541473388672	204.0
119.55633544921875	140.0
119.71961212158203	156.0
119.82198333740234	140.0
120.253173828125	244.0
120.62944030761719	148.0
120.81312561035156	184.0
121.01228332519531	184.0
121.2905044555664	204.0
121.37380981445312	160.0
121.49005126953125	144.0
121.90502166748047	172.0
122.2106704711914	244.0
122.228271484375	160.0
122.25687408447266	160.0
122.37574005126953	216.0
122.4902572631836	148.0
122.53872680664062	156.0
122.63347625732422	216.0
122.67095184326172	144.0
122.8650131225586	144.0
122.91134643554688	160.0
123.00021362304688	2952.0
123.06143951416016	144.0
123.16522979736328	144.0
123.34200286865234	176.0
123.66050720214844	160.0
123.84205627441406	148.0
124.00692749023438	720.0
124.02973175048828	200.0
124.21221923828125	180.0
124.52962493896484	168.0
124.89859008789062	180.0
124.99834442138672	400.0
125.01605224609375	728.0
125.0721435546875	164.0
125.1021957397461	152.0
125.33047485351562	184.0
125.46905517578125	112.0
125.50408172607422	176.0
125.52886199951172	176.0
125.67384338378906	152.0
125.90767669677734	120.0
126.00403594970703	404.0
126.04740905761719	368.0
126.20320129394531	200.0
126.29936218261719	152.0
126.32843780517578	144.0
126.50746154785156	164.0
126.77399444580078	148.0
127.0086898803711	244.0
127.05487060546875	1376.0
127.32137298583984	196.0
127.41346740722656	176.0
127.567626953125	208.0
127.6427230834961	156.0
127.74168395996094	192.0
127.82942962646484	160.0
127.92620849609375	148.0
128.06260681152344	9408.0
128.213134765625	196.0
128.27537536621094	172.0
128.5482635498047	152.0
128.7873077392578	136.0
128.93894958496094	160.0
128.97511291503906	148.0
129.0112762451172	164.0
129.0705108642578	47808.0
129.13101196289062	160.0
129.3234405517578	184.0
129.34275817871094	120.0
129.4689178466797	148.0
129.79635620117188	96.0
129.90025329589844	184.0
129.93612670898438	120.0
129.9951171875	116.0
130.0743408203125	4056.0
130.2871551513672	316.0
130.93980407714844	168.0
131.04678344726562	304.0
131.0764617919922	368.0
131.17518615722656	172.0
131.2042999267578	228.0
131.63552856445312	164.0
131.66522216796875	196.0
131.871337890625	216.0
132.15211486816406	156.0
132.8256378173828	144.0
132.95950317382812	976.0
133.06642150878906	112.0
133.8644561767578	144.0
134.14830017089844	224.0
134.21701049804688	312.0
134.95823669433594	436.0
135.13165283203125	164.0
135.337646484375	172.0
135.5159912109375	172.0
135.6040496826172	324.0
135.95889282226562	164.0
136.1422882080078	184.0
136.56494140625	196.0
137.18931579589844	180.0
137.8194580078125	232.0
138.29652404785156	184.0
138.44869995117188	148.0
138.50051879882812	164.0
138.8236541748047	148.0
139.00193786621094	164.0
139.10519409179688	172.0
139.72325134277344	196.0
139.7703094482422	192.0
139.80325317382812	160.0
139.8267822265625	220.0
140.1187744140625	140.0
140.2931671142578	232.0
140.33355712890625	152.0
140.415771484375	144.0
140.56204223632812	148.0
140.8288116455078	168.0
141.17149353027344	212.0
141.24008178710938	160.0
141.44357299804688	140.0
141.4696044921875	164.0
141.4909210205078	212.0
141.61642456054688	152.0
141.77989196777344	176.0
141.92333984375	128.0
142.0146026611328	140.0
142.13796997070312	196.0
142.3516082763672	176.0
142.39434814453125	168.0
142.6343231201172	172.0
142.80076599121094	148.0
143.20538330078125	148.0
143.25302124023438	156.0
143.3220977783203	164.0
143.58432006835938	236.0
143.6534881591797	208.0
143.68212890625	140.0
143.98194885253906	184.0
144.0306396484375	200.0
144.07363891601562	164.0
144.31263732910156	188.0
144.34133911132812	156.0
144.7433319091797	148.0
144.78404235839844	172.0
145.01882934570312	180.0
145.06275939941406	304.0
145.25140380859375	156.0
146.068115234375	140.0
146.41470336914062	176.0
146.66526794433594	168.0
146.68455505371094	148.0
146.89434814453125	148.0
146.9763641357422	148.0
147.16221618652344	156.0
147.3578643798828	148.0
147.54637145996094	156.0
147.71664428710938	176.0
148.02059936523438	212.0
148.97132873535156	156.0
149.27377319335938	128.0
149.3480987548828	176.0
149.4502716064453	164.0
149.474609375	148.0
149.52084350585938	156.0
149.64498901367188	212.0
150.70350646972656	148.0
151.45208740234375	172.0
151.53292846679688	200.0
151.81236267089844	188.0
152.1583251953125	168.0
152.48011779785156	172.0
152.49977111816406	192.0
152.96096801757812	208.0
153.42242431640625	160.0
153.6768798828125	152.0
153.8701629638672	228.0
153.97557067871094	140.0
154.27207946777344	216.0
154.31163024902344	208.0
154.47238159179688	152.0
154.586181640625	168.0
154.82879638671875	244.0
155.0610809326172	808.0
155.10498046875	184.0
155.2476043701172	140.0
155.40386962890625	164.0
155.42372131347656	196.0
156.06858825683594	128.0
156.26353454589844	172.0
156.4103546142578	188.0
156.5099334716797	164.0
156.5338897705078	220.0
156.62698364257812	172.0
156.65936279296875	184.0
156.9634246826172	212.0
157.0557098388672	148.0
157.1430206298828	152.0
157.34268188476562	148.0
157.65310668945312	156.0
157.77487182617188	148.0
157.9849395751953	144.0
158.09002685546875	208.0
158.26023864746094	152.0
158.351806640625	176.0
158.38795471191406	208.0
158.5082550048828	156.0
158.56028747558594	128.0
158.5836639404297	184.0
158.71986389160156	292.0
158.79722595214844	324.0
158.84483337402344	152.0
158.8781280517578	380.0
158.94241333007812	172.0
158.97772216796875	243960.0
159.07763671875	228.0
159.1560516357422	324.0
159.1790008544922	260.0
159.2005615234375	248.0
159.25718688964844	260.0
159.2936248779297	144.0
159.36416625976562	276.0
159.3897705078125	2340.0
159.4871826171875	128.0
159.59375	144.0
159.6290740966797	196.0
159.77964782714844	140.0
159.80491638183594	96.0
159.87680053710938	188.0
159.98023986816406	21716.0
160.01539611816406	316.0
160.06712341308594	96.0
160.0894317626953	144.0
160.1761474609375	100.0
160.20315551757812	176.0
160.2444305419922	196.0
160.37950134277344	180.0
160.43954467773438	212.0
160.46426391601562	168.0
160.55813598632812	152.0
160.57620239257812	200.0
160.6291961669922	128.0
160.65121459960938	240.0
160.69195556640625	160.0
160.72918701171875	140.0
160.78321838378906	136.0
160.80535888671875	408.0
160.83908081054688	160.0
160.8694305419922	188.0
160.88929748535156	276.0
160.91795349121094	128.0
160.97434997558594	164608.0
161.08934020996094	204.0
161.12982177734375	204.0
161.16140747070312	144.0
161.18858337402344	188.0
161.2551727294922	200.0
161.31753540039062	132.0
161.3368682861328	172.0
161.38992309570312	392.0
161.4228973388672	180.0
161.46238708496094	112.0
161.51536560058594	120.0
161.85714721679688	104.0
161.91159057617188	164.0
161.97666931152344	6244.0
162.02415466308594	3008.0
162.15480041503906	212.0
162.23622131347656	136.0
162.52684020996094	96.0
162.56817626953125	168.0
162.67037963867188	152.0
162.89247131347656	116.0
162.97142028808594	836.0
163.02976989746094	644.0
163.05958557128906	128.0
163.15696716308594	184.0
163.21661376953125	144.0
163.32302856445312	140.0
163.9745330810547	240.0
164.0183563232422	272.0
164.38002014160156	196.0
164.7987823486328	156.0
165.25132751464844	164.0
166.22702026367188	152.0
166.8208465576172	144.0
166.85426330566406	164.0
166.99395751953125	112.0
168.73728942871094	156.0
168.76800537109375	184.0
168.8345489501953	156.0
169.5625762939453	132.0
170.05166625976562	132.0
171.88429260253906	164.0
172.8694305419922	184.0
173.02386474609375	168.0
173.62982177734375	124.0
175.04055786132812	136.0
175.1733856201172	200.0
175.7071533203125	184.0
176.1638641357422	172.0
177.28041076660156	152.0
177.83734130859375	140.0
177.87184143066406	188.0
178.29148864746094	184.0
178.65576171875	152.0
179.02122497558594	340.0
179.0858154296875	160.0
179.1402587890625	140.0
179.23617553710938	184.0
181.1624755859375	148.0
181.2723388671875	172.0
182.05563354492188	228.0
182.8675537109375	148.0
182.97914123535156	152.0
183.94300842285156	188.0
184.48597717285156	140.0
185.64752197265625	148.0
188.9515380859375	152.0
189.02069091796875	128.0
189.15403747558594	224.0
190.06983947753906	128.0
191.03924560546875	156.0
191.18507385253906	152.0
191.78546142578125	208.0
194.651611328125	152.0
194.70993041992188	232.0
196.70907592773438	160.0
196.93670654296875	160.0
196.99246215820312	4156.0
197.4075469970703	188.0
197.9934844970703	376.0
198.1240692138672	156.0
198.2305450439453	172.0
198.32583618164062	140.0
198.76651000976562	144.0
198.9092559814453	168.0
198.9885711669922	2344.0
199.0384063720703	188.0
199.3670654296875	152.0
199.7213134765625	184.0
199.8450927734375	160.0
200.00372314453125	280.0
200.23074340820312	140.0
200.7859344482422	144.0
201.08216857910156	152.0
201.8477325439453	172.0
202.90383911132812	140.0
203.08514404296875	680.0
203.57061767578125	140.0
204.09454345703125	1032.0
204.81346130371094	216.0
204.95875549316406	148.0
205.05564880371094	148.0
205.10096740722656	4676.0
205.5233154296875	144.0
205.63746643066406	180.0
205.6859893798828	208.0
206.10609436035156	712.0
206.9037628173828	144.0
206.99148559570312	132.0
207.18441772460938	188.0
207.2789764404297	168.0
207.3047637939453	172.0
208.74868774414062	160.0
209.48548889160156	144.0
209.55462646484375	140.0
210.26109313964844	192.0
210.4602813720703	168.0
210.71444702148438	172.0
211.40260314941406	196.0
212.03883361816406	1148.0
212.7068328857422	160.0
212.7329559326172	156.0
212.9797821044922	168.0
213.03829956054688	136.0
213.1337432861328	140.0
213.45639038085938	172.0
213.51455688476562	164.0
213.61053466796875	160.0
213.63963317871094	176.0
214.03399658203125	600.0
214.44912719726562	140.0
214.63278198242188	176.0
215.03990173339844	136.0
216.37413024902344	212.0
216.39463806152344	144.0
216.60548400878906	212.0
217.2679901123047	156.0
217.9491424560547	168.0
218.1783905029297	144.0
218.81973266601562	152.0
219.23211669921875	148.0
219.52101135253906	192.0
219.95175170898438	176.0
220.09640502929688	184.0
220.31201171875	208.0
221.04019165039062	152.0
221.53968811035156	184.0
221.8449249267578	140.0
222.48272705078125	212.0
222.99661254882812	184.0
223.26715087890625	276.0
223.9725341796875	208.0
224.36289978027344	184.0
225.04612731933594	1388.0
226.04806518554688	272.0
226.4456024169922	164.0
227.04141235351562	308.0
227.846435546875	208.0
228.20407104492188	160.0
229.36912536621094	148.0
229.5172882080078	136.0
229.80337524414062	140.0
230.63685607910156	156.0
230.9997100830078	176.0
232.99623107910156	176.0
234.9977264404297	164.0
235.4556121826172	156.0
236.24420166015625	192.0
236.271728515625	164.0
237.67190551757812	140.0
238.16259765625	124.0
238.6209716796875	204.0
239.06565856933594	624.0
239.09466552734375	204.0
239.13467407226562	152.0
239.5349578857422	184.0
240.06976318359375	6352.0
240.23162841796875	144.0
240.73162841796875	140.0
240.8975830078125	132.0
241.06993103027344	736.0
241.49806213378906	164.0
242.06610107421875	1272.0
244.26795959472656	164.0
244.66629028320312	140.0
244.79269409179688	252.0
245.4116973876953	176.0
246.00039672851562	876.0
247.00990295410156	296.0
247.80502319335938	180.0
247.99594116210938	524.0
248.32852172851562	164.0
248.69296264648438	208.0
249.00308227539062	252.0
250.38079833984375	180.0
250.82662963867188	152.0
251.16558837890625	184.0
251.72482299804688	144.0
251.8157958984375	172.0
253.2295379638672	212.0
253.78244018554688	160.0
253.9299774169922	144.0
254.4980010986328	160.0
255.16693115234375	128.0
258.8792724609375	144.0
259.0101623535156	148.0
259.0848693847656	172.0
259.4239501953125	224.0
260.01727294921875	516.0
262.0101013183594	288.0
262.54925537109375	168.0
262.63494873046875	180.0
262.9686584472656	160.0
263.73089599609375	224.0
264.0315856933594	152.0
265.0610046386719	140.0
265.2003479003906	168.0
265.9917907714844	200.0
266.5893859863281	140.0
266.8559265136719	148.0
267.0453796386719	140.0
267.8387145996094	160.0
268.7552795410156	132.0
268.9505920410156	148.0
269.6756896972656	152.0
269.7704772949219	140.0
272.428466796875	164.0
273.1743469238281	164.0
273.8317565917969	132.0
273.87359619140625	108.0
273.97760009765625	156.0
274.0364074707031	160.0
274.0773010253906	168.0
274.1324462890625	176.0
274.2576904296875	172.0
274.2889099121094	128.0
274.51483154296875	152.0
274.66650390625	168.0
274.69622802734375	404.0
274.7401123046875	368.0
274.75494384765625	120.0
274.7629699707031	248.0
274.8430480957031	236.0
274.912109375	132.0
274.9708251953125	292.0
275.04071044921875	208784.0
275.138916015625	108.0
275.2520446777344	168.0
275.3041076660156	236.0
275.3732604980469	232.0
275.5103759765625	176.0
275.5458679199219	284.0
275.5827941894531	3620.0
275.66802978515625	132.0
275.7442626953125	108.0
275.8600158691406	204.0
275.8954772949219	196.0
275.9627380371094	196.0
276.0428161621094	40304.0
276.31561279296875	128.0
276.3531799316406	168.0
276.42010498046875	148.0
276.4851379394531	100.0
276.5950927734375	192.0
276.6640625	224.0
276.7311096191406	152.0
276.7729187011719	192.0
276.88836669921875	184.0
276.9954833984375	688.0
277.0368347167969	148688.0
277.172119140625	200.0
277.2330627441406	136.0
277.2798767089844	156.0
277.3569030761719	160.0
277.3970642089844	140.0
277.4751281738281	168.0
277.52362060546875	116.0
277.5461120605469	268.0
277.5790710449219	592.0
277.6884460449219	172.0
277.818115234375	372.0
277.89013671875	260.0
277.9307861328125	164.0
277.9723205566406	108.0
278.0404052734375	11892.0
278.1319274902344	252.0
278.1611633300781	244.0
278.1939697265625	164.0
278.2442321777344	172.0
278.299560546875	156.0
278.591552734375	124.0
278.7210693359375	108.0
278.8176574707031	100.0
278.8957824707031	120.0
278.93316650390625	124.0
279.0334777832031	336.0
279.3310852050781	136.0
279.4467468261719	148.0
279.65069580078125	104.0
279.7431945800781	144.0
279.8384704589844	112.0
279.9152526855469	108.0
279.9789123535156	128.0
280.0324401855469	216.0
280.1159973144531	196.0
280.1921081542969	112.0
280.2263488769531	128.0
280.3426208496094	152.0
280.8304443359375	220.0
280.91412353515625	100.0
281.45831298828125	112.0
282.28369140625	128.0
286.3697204589844	140.0
287.5610046386719	96.0
291.02630615234375	188.0
301.6988220214844	144.0
305.15533447265625	140.0
305.2468566894531	148.0
306.0804748535156	8212.0
306.27935791015625	144.0
307.085205078125	712.0
307.87322998046875	156.0
307.93206787109375	196.0
308.07818603515625	3084.0
308.19598388671875	132.0
309.0772705078125	440.0
321.2652587890625	180.0
367.62213134765625	156.0
379.09356689453125	152.0
452.4992980957031	140.0
505.8934631347656	148.0
606.4378662109375	152.0
684.1306762695312	160.0
809.7420043945312	148.0
932.0797729492188	168.0
932.2719116210938	204.0
964.0842895507812	232.0
987.5353393554688	148.0
1106.0567626953125	184.0
1111.497802734375	168.0
1117.7305908203125	164.0
1148.64306640625	188.0
1222.982666015625	156.0
1229.1502685546875	192.0
1234.137451171875	156.0
1249.532470703125	148.0
1253.813720703125	160.0
1263.6287841796875	144.0
1272.9566650390625	200.0
1276.9505615234375	148.0
1291.5220947265625	152.0
1300.600341796875	164.0
1307.73046875	168.0
1314.1944580078125	168.0
1321.643798828125	164.0
1340.0787353515625	156.0
1340.333740234375	208.0
1344.0963134765625	156.0
1345.2493896484375	180.0
1349.559814453125	232.0
1354.792724609375	188.0
1356.2581787109375	260.0
1363.4361572265625	196.0
1367.194091796875	164.0
1379.888671875	152.0
1380.117919921875	188.0
1380.76123046875	144.0
1381.16796875	164.0
1387.8997802734375	144.0
1389.1903076171875	164.0
1390.74853515625	176.0
1394.7593994140625	156.0
1395.8448486328125	176.0
1408.6116943359375	164.0
1410.8236083984375	160.0
1414.7286376953125	148.0
1415.6495361328125	148.0
1428.4989013671875	168.0
1440.1522216796875	176.0
1441.0888671875	196.0
1441.255126953125	176.0
1457.2725830078125	140.0
1459.3626708984375	188.0
1470.0960693359375	196.0
1470.5455322265625	148.0
1472.3702392578125	200.0
1479.69775390625	144.0
1483.3497314453125	204.0
1500.392822265625	184.0
1505.6551513671875	164.0
1505.85595703125	204.0
1509.4566650390625	160.0
1513.3724365234375	144.0
1515.711669921875	148.0
1519.03759765625	184.0
1520.348876953125	224.0
1520.8067626953125	164.0
1520.946533203125	148.0
1521.4510498046875	232.0
1526.384765625	196.0
1528.189208984375	180.0
1530.5009765625	144.0
1535.3868408203125	152.0
1535.5584716796875	164.0
1549.5272216796875	152.0
1557.2774658203125	208.0
1561.0496826171875	160.0
1564.1888427734375	152.0
1565.96044921875	172.0
1568.6236572265625	176.0
1576.089599609375	228.0
1580.5096435546875	164.0
1584.5079345703125	148.0
1588.225830078125	176.0
1590.4713134765625	164.0
1594.4583740234375	200.0
1604.3123779296875	160.0
1605.827392578125	224.0
1607.9576416015625	156.0
1608.8355712890625	180.0
1616.1644287109375	196.0
1617.052734375	208.0
1623.87890625	176.0
1625.1302490234375	216.0
1628.6705322265625	180.0
1629.5380859375	152.0
1634.4405517578125	188.0
1638.114013671875	172.0
1638.8067626953125	188.0
1640.587890625	164.0
1643.6456298828125	152.0
1644.718017578125	212.0
1644.9520263671875	212.0
1647.2049560546875	144.0
1648.1583251953125	160.0
1650.33251953125	168.0
1657.536376953125	156.0
1659.506103515625	224.0
1660.0736083984375	204.0
1661.2091064453125	168.0
1661.541748046875	164.0
1665.4869384765625	256.0
1670.2581787109375	156.0
1678.4429931640625	144.0
1679.6336669921875	172.0
1681.9019775390625	176.0
1690.9908447265625	176.0
1691.563720703125	144.0
1693.7664794921875	180.0
1697.2003173828125	148.0
1700.777099609375	168.0
1701.4420166015625	200.0
1703.979736328125	164.0
1706.281005859375	152.0
1712.0159912109375	148.0
1714.841796875	168.0
1715.0726318359375	144.0
1720.2857666015625	192.0
1720.459228515625	148.0
1727.4669189453125	184.0
1734.4058837890625	164.0
1739.9970703125	152.0
1743.9012451171875	156.0
1744.9237060546875	184.0
1747.768310546875	140.0
1748.7252197265625	156.0
1750.81494140625	268.0
1754.5811767578125	168.0
1755.6484375	144.0
1762.6522216796875	144.0
1764.750244140625	180.0
1770.4151611328125	184.0
1771.8306884765625	176.0
1774.6551513671875	160.0
1779.4375	208.0
1785.9500732421875	264.0
1789.5777587890625	140.0
1792.8116455078125	200.0
1794.5059814453125	172.0
1794.581787109375	160.0
1799.500732421875	188.0
1803.5048828125	152.0
1806.5997314453125	160.0
1808.579833984375	164.0
1809.09619140625	140.0
1809.409423828125	220.0
1810.035888671875	192.0
1810.3916015625	156.0
1812.4923095703125	180.0
1813.5771484375	152.0
1815.6119384765625	180.0
1817.240478515625	156.0
1817.5120849609375	144.0
1820.032958984375	144.0
1823.6859130859375	232.0
1823.8218994140625	168.0
1824.4678955078125	212.0
1830.6451416015625	188.0
1832.6297607421875	140.0
1836.96923828125	216.0
1837.412841796875	156.0
1838.03564453125	172.0
1838.2745361328125	148.0
1839.64013671875	160.0
1841.84326171875	144.0
1845.97119140625	184.0
1846.1678466796875	164.0
1846.56982421875	184.0
1851.446533203125	208.0
1853.0755615234375	164.0
1861.7303466796875	148.0
1862.185546875	220.0
1863.4998779296875	144.0
1866.4307861328125	148.0
1871.6451416015625	176.0
1871.8087158203125	152.0
1873.066162109375	244.0
1873.522705078125	168.0
1875.0391845703125	200.0
1877.3927001953125	156.0
1877.7808837890625	168.0
1877.953369140625	252.0
1878.6434326171875	152.0
1880.7230224609375	144.0
1883.244140625	160.0
1884.0302734375	148.0
1884.6004638671875	160.0
1885.0238037109375	172.0
1888.6722412109375	152.0
1888.948974609375	144.0
1890.6015625	144.0
1892.5838623046875	172.0
1895.892822265625	140.0
1896.3001708984375	148.0
1898.614990234375	172.0
1899.43896484375	160.0
1901.1220703125	184.0
1905.2203369140625	172.0
1905.8284912109375	140.0
1906.2108154296875	200.0
1908.818603515625	176.0
1910.6885986328125	176.0
1911.0540771484375	180.0
1914.1527099609375	160.0
1914.858154296875	152.0
1916.34765625	152.0
1917.66357421875	200.0
1919.7384033203125	228.0
1921.9017333984375	140.0
1923.0972900390625	164.0
1923.1583251953125	200.0
1924.5289306640625	160.0
1924.8170166015625	248.0
1925.716552734375	180.0
1929.63134765625	224.0
1932.2813720703125	152.0
1934.9769287109375	220.0
1936.474365234375	152.0
1940.3123779296875	148.0
1941.2593994140625	196.0
1946.05908203125	188.0
1947.0162353515625	140.0
1947.859375	148.0
1949.24755859375	160.0
1950.1226806640625	204.0
1960.4056396484375	148.0
1961.18115234375	164.0
1961.604248046875	148.0
1962.8297119140625	216.0
1963.2618408203125	144.0
1965.24169921875	200.0
1965.9700927734375	236.0
1968.98046875	144.0
1971.3304443359375	196.0
1972.8585205078125	176.0
1975.892822265625	140.0
1976.556396484375	188.0
1977.1846923828125	252.0
1977.4237060546875	232.0
1977.52099609375	212.0
1977.93701171875	160.0
1978.8399658203125	172.0
1980.7398681640625	116.0
1982.081787109375	148.0
1982.799560546875	200.0
1984.740966796875	180.0
1984.8385009765625	152.0
1985.521240234375	204.0
1989.265625	148.0
1991.70751953125	244.0
1998.410400390625	160.0
1999.4693603515625	148.0
2001.61474609375	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078946
PEPMASS=294.117706
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=OXAPROZIN [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3
INCHI=InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
INCHIAUX=OFPXSFXSNFPTHF-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078946
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078946
SCANS=1662
45.089107513427734	168.0
45.13723373413086	184.0
45.30319595336914	152.0
45.4267463684082	196.0
45.503021240234375	144.0
45.517791748046875	152.0
45.65755081176758	140.0
45.8204231262207	168.0
45.86417007446289	164.0
46.54540252685547	212.0
46.582069396972656	160.0
46.689449310302734	140.0
46.88276290893555	168.0
47.38698196411133	160.0
47.511741638183594	252.0
47.81816864013672	168.0
47.91455841064453	164.0
47.98347091674805	208.0
48.15596008300781	144.0
48.655853271484375	140.0
48.740577697753906	196.0
48.95073318481445	152.0
49.26164627075195	140.0
49.33012008666992	188.0
49.40078353881836	128.0
49.75318908691406	204.0
49.79531478881836	188.0
49.83183670043945	220.0
49.84307861328125	184.0
49.91476821899414	168.0
50.16819763183594	264.0
50.27962875366211	208.0
50.436405181884766	172.0
50.491546630859375	204.0
50.59200668334961	244.0
50.64298629760742	144.0
50.98490905761719	156.0
51.01191329956055	228.0
51.091552734375	176.0
51.636165618896484	184.0
51.662193298339844	152.0
51.67649841308594	144.0
51.74806213378906	176.0
51.778133392333984	208.0
52.02762985229492	188.0
52.08363342285156	160.0
52.18423080444336	148.0
52.622230529785156	176.0
52.64099884033203	140.0
52.66555404663086	172.0
52.67710876464844	208.0
52.73345947265625	176.0
52.869407653808594	240.0
53.15488815307617	152.0
53.41204071044922	188.0
53.48751449584961	212.0
53.70772933959961	184.0
53.83908462524414	204.0
53.93691635131836	204.0
54.53794479370117	268.0
54.6349983215332	164.0
55.02554702758789	184.0
55.321224212646484	156.0
55.58949279785156	168.0
55.70830535888672	172.0
55.752845764160156	184.0
55.91197204589844	168.0
56.404170989990234	156.0
56.51034927368164	160.0
56.948081970214844	148.0
57.16908264160156	184.0
57.282005310058594	180.0
57.533843994140625	216.0
57.60633087158203	152.0
57.79833984375	144.0
57.97551345825195	148.0
58.078609466552734	192.0
58.223819732666016	148.0
58.27066421508789	148.0
58.52845001220703	172.0
59.00319290161133	232.0
59.035064697265625	160.0
59.09318923950195	188.0
59.11001968383789	156.0
59.28306198120117	164.0
59.69293212890625	176.0
59.78676986694336	244.0
59.96541976928711	156.0
60.26942825317383	172.0
60.30497360229492	144.0
60.85801315307617	160.0
60.91392135620117	156.0
61.11602783203125	228.0
61.429176330566406	176.0
61.50407791137695	152.0
61.87143325805664	144.0
62.23756790161133	236.0
62.55904006958008	148.0
62.69607162475586	172.0
62.79539489746094	144.0
62.826942443847656	188.0
63.54559326171875	164.0
63.853187561035156	200.0
64.09375762939453	200.0
64.5260238647461	140.0
65.05657958984375	144.0
65.72449493408203	144.0
65.81004333496094	176.0
66.10746765136719	176.0
66.12850189208984	176.0
66.50453186035156	140.0
66.53375244140625	172.0
66.60845184326172	144.0
66.6474380493164	148.0
66.69131469726562	228.0
67.11111450195312	156.0
67.223876953125	152.0
67.77679443359375	148.0
68.03571319580078	228.0
68.14246368408203	160.0
68.4582748413086	176.0
68.84911346435547	156.0
69.05404663085938	156.0
69.14835357666016	148.0
69.25928497314453	148.0
69.52787780761719	144.0
69.7271728515625	160.0
70.15495300292969	224.0
70.32843017578125	172.0
70.7329330444336	188.0
70.92723846435547	144.0
71.0429458618164	176.0
71.3630599975586	184.0
71.51848602294922	196.0
71.59425354003906	196.0
71.61822509765625	188.0
71.98042297363281	168.0
72.26438903808594	192.0
72.54327392578125	260.0
72.92744445800781	260.0
73.2997817993164	176.0
73.5952377319336	156.0
73.70796966552734	180.0
74.30724334716797	184.0
74.57083129882812	148.0
74.71784973144531	168.0
74.87793731689453	152.0
75.03819274902344	172.0
75.18480682373047	216.0
75.26248931884766	148.0
75.40760040283203	140.0
75.87496948242188	144.0
75.93218994140625	220.0
75.977294921875	180.0
76.02066802978516	144.0
76.15782165527344	148.0
76.22088623046875	172.0
76.425537109375	148.0
76.86934661865234	120.0
76.95365905761719	148.0
77.23914337158203	140.0
77.27874755859375	192.0
77.7975082397461	152.0
78.02413177490234	208.0
78.17247772216797	232.0
78.62018585205078	172.0
78.73954010009766	188.0
79.18699645996094	160.0
79.30570220947266	156.0
79.41844940185547	184.0
79.43869018554688	204.0
79.48304748535156	224.0
79.56114196777344	160.0
79.6712417602539	228.0
79.96997833251953	156.0
80.53518676757812	160.0
80.585205078125	152.0
80.67813873291016	184.0
80.69780731201172	200.0
80.73892974853516	184.0
80.81316375732422	132.0
81.05220031738281	224.0
81.43960571289062	216.0
81.60682678222656	148.0
82.00106048583984	156.0
82.08037567138672	160.0
82.13706970214844	220.0
82.47393798828125	156.0
82.6964111328125	164.0
82.98806762695312	224.0
83.0515365600586	212.0
83.08182525634766	184.0
83.34381866455078	160.0
83.52198028564453	196.0
83.60749053955078	144.0
83.66604614257812	188.0
83.85882568359375	140.0
83.91168975830078	168.0
84.0977554321289	160.0
84.748779296875	184.0
84.82942199707031	148.0
84.87158966064453	164.0
84.89725494384766	148.0
84.9596176147461	168.0
85.1217269897461	124.0
85.14684295654297	172.0
85.31957244873047	156.0
85.8185043334961	368.0
85.86276245117188	176.0
86.14701080322266	140.0
86.18580627441406	172.0
86.34663391113281	156.0
86.526123046875	208.0
86.59834289550781	176.0
87.28498840332031	196.0
87.49710083007812	220.0
87.66473388671875	180.0
88.0201416015625	136.0
88.07331848144531	168.0
88.45289611816406	152.0
88.54463958740234	152.0
88.83141326904297	172.0
89.71459197998047	236.0
90.44062805175781	184.0
90.55233764648438	144.0
90.58832550048828	220.0
90.6053695678711	192.0
90.64705657958984	172.0
90.9030532836914	168.0
91.07582092285156	144.0
91.5322494506836	152.0
92.0611572265625	176.0
92.4695816040039	164.0
92.88536071777344	148.0
92.9467544555664	140.0
93.58104705810547	140.0
94.1807861328125	188.0
94.3141098022461	176.0
94.50363159179688	164.0
94.63911437988281	176.0
94.7320785522461	148.0
94.7845687866211	168.0
95.10243225097656	140.0
95.3646469116211	172.0
95.51241302490234	160.0
95.79467010498047	152.0
95.89629364013672	156.0
95.93302154541016	164.0
96.13309478759766	152.0
96.21589660644531	156.0
96.40340423583984	184.0
96.55980682373047	148.0
96.98663330078125	188.0
97.16507720947266	224.0
97.43404388427734	140.0
97.44779968261719	160.0
98.03022766113281	164.0
98.66182708740234	164.0
98.85586547851562	120.0
98.87940979003906	176.0
98.9348373413086	152.0
99.02790069580078	156.0
99.1923599243164	196.0
99.84558868408203	204.0
100.09234619140625	168.0
100.3234634399414	220.0
100.4032211303711	208.0
100.4211654663086	188.0
100.62471008300781	200.0
100.8184585571289	196.0
100.87442779541016	156.0
100.98839569091797	192.0
101.02501678466797	324.0
101.04241180419922	168.0
101.0946273803711	164.0
101.15647888183594	148.0
101.28062438964844	188.0
101.35675811767578	156.0
101.55120849609375	184.0
101.7298583984375	124.0
102.04751586914062	480.0
102.12519836425781	108.0
102.57264709472656	168.0
102.59034729003906	128.0
102.6432113647461	168.0
102.71783447265625	172.0
102.8216323852539	184.0
102.85706329345703	164.0
102.8974380493164	148.0
102.92848205566406	168.0
102.96688842773438	344.0
103.02056121826172	112.0
103.0550765991211	85340.0
103.10612487792969	96.0
103.17536926269531	112.0
103.19158172607422	204.0
103.32855224609375	228.0
103.38691711425781	424.0
103.42117309570312	96.0
103.70051574707031	144.0
103.78015899658203	152.0
103.87691497802734	148.0
104.05741119384766	7216.0
104.40906524658203	212.0
104.59512329101562	208.0
104.654052734375	144.0
104.78359985351562	156.0
105.032958984375	324.0
105.05573272705078	140.0
105.39774322509766	168.0
105.4488296508789	176.0
106.05512237548828	196.0
106.8329086303711	152.0
106.9378433227539	216.0
107.31069946289062	140.0
108.01284790039062	172.0
108.22600555419922	140.0
108.51193237304688	164.0
108.80030822753906	176.0
108.9664535522461	144.0
109.0599594116211	156.0
109.58645629882812	144.0
110.1977767944336	212.0
110.44026947021484	208.0
110.84432220458984	216.0
110.98685455322266	172.0
111.7745361328125	140.0
112.0798568725586	140.0
112.14729309082031	168.0
113.08124542236328	104.0
113.17610168457031	180.0
113.30317687988281	192.0
113.83267211914062	112.0
114.08201599121094	152.0
114.4777603149414	188.0
114.51822662353516	164.0
114.89552307128906	140.0
115.05448913574219	2376.0
115.09828186035156	152.0
115.15167236328125	220.0
115.1946029663086	200.0
115.50434112548828	196.0
115.88590240478516	188.0
116.05633544921875	240.0
116.2456283569336	212.0
116.35295104980469	184.0
116.53980255126953	148.0
116.60282135009766	108.0
116.67305755615234	164.0
117.0215835571289	140.0
117.06998443603516	6480.0
117.59283447265625	156.0
118.07389831542969	816.0
118.62242126464844	172.0
119.14323425292969	152.0
119.4519271850586	156.0
119.9275131225586	96.0
119.98546600341797	180.0
120.3214340209961	172.0
120.42188262939453	168.0
120.95539093017578	148.0
121.2795639038086	164.0
122.1072998046875	204.0
122.17988586425781	156.0
122.51231384277344	176.0
123.61405181884766	196.0
123.82657623291016	192.0
124.59406280517578	228.0
125.89932250976562	284.0
125.99983978271484	148.0
126.20993041992188	184.0
126.45153045654297	164.0
126.51420593261719	184.0
126.88609313964844	168.0
127.32113647460938	152.0
127.3632583618164	132.0
127.54832458496094	260.0
127.96900939941406	148.0
128.0507049560547	260.0
128.1807403564453	164.0
128.46255493164062	168.0
128.688232421875	180.0
129.0316619873047	192.0
129.05662536621094	144.0
129.1062774658203	156.0
129.18995666503906	208.0
129.28045654296875	144.0
129.3098907470703	144.0
129.98521423339844	168.0
130.051025390625	176.0
130.92214965820312	176.0
131.04689025878906	200.0
131.1632843017578	152.0
131.20204162597656	188.0
131.2339630126953	148.0
131.26885986328125	212.0
131.40447998046875	168.0
131.46434020996094	180.0
131.63555908203125	176.0
131.79544067382812	168.0
132.02174377441406	144.0
132.0493927001953	136.0
132.59788513183594	140.0
133.40663146972656	176.0
133.56529235839844	140.0
134.60931396484375	220.0
134.88726806640625	208.0
134.99058532714844	144.0
135.0553436279297	180.0
135.17564392089844	164.0
135.3284149169922	156.0
135.74317932128906	144.0
135.89483642578125	208.0
136.0030059814453	168.0
136.5420379638672	184.0
137.19166564941406	144.0
137.7984619140625	140.0
138.31292724609375	228.0
138.43234252929688	188.0
138.6572265625	152.0
139.09349060058594	196.0
139.7021026611328	188.0
139.9044952392578	156.0
140.25311279296875	144.0
140.60218811035156	208.0
141.46017456054688	164.0
142.0650177001953	280.0
142.30177307128906	200.0
142.7027587890625	160.0
142.8269500732422	176.0
143.07205200195312	212.0
143.54380798339844	352.0
144.08084106445312	144.0
145.06680297851562	180.0
145.6619110107422	184.0
146.0585174560547	288.0
146.9691619873047	172.0
147.07534790039062	140.0
147.47146606445312	180.0
147.8560028076172	140.0
147.9092559814453	184.0
147.9697723388672	148.0
148.67271423339844	148.0
148.69454956054688	156.0
148.96649169921875	172.0
149.05397033691406	160.0
149.68153381347656	176.0
149.7156219482422	208.0
150.03970336914062	180.0
150.1591796875	144.0
150.19332885742188	152.0
150.38363647460938	148.0
150.74752807617188	168.0
151.05068969726562	180.0
151.21707153320312	176.0
151.6057586669922	192.0
151.8540802001953	180.0
151.99391174316406	160.0
152.0628204345703	968.0
152.58584594726562	172.0
152.64976501464844	220.0
152.92037963867188	164.0
153.0709686279297	360.0
153.6349639892578	176.0
153.86941528320312	148.0
153.91139221191406	160.0
154.07687377929688	212.0
154.43186950683594	156.0
154.5688934326172	156.0
155.1980438232422	140.0
155.503173828125	144.0
155.6148681640625	180.0
155.67059326171875	132.0
155.93780517578125	180.0
156.04537963867188	596.0
156.124267578125	148.0
156.1416778564453	152.0
156.6768341064453	200.0
156.98590087890625	172.0
157.04832458496094	124.0
157.31524658203125	148.0
157.5474853515625	140.0
157.57313537597656	120.0
157.5947265625	128.0
158.061279296875	148.0
158.36294555664062	372.0
158.43809509277344	188.0
158.51075744628906	172.0
158.80406188964844	160.0
158.86927795410156	156.0
159.9473114013672	148.0
160.131103515625	340.0
160.24362182617188	144.0
160.36289978027344	144.0
160.42843627929688	140.0
160.7470245361328	140.0
160.84584045410156	156.0
160.8881072998047	168.0
161.16539001464844	176.0
161.65341186523438	224.0
162.0230712890625	180.0
162.35765075683594	176.0
162.41091918945312	164.0
162.7306671142578	172.0
163.11935424804688	148.0
164.0497283935547	196.0
164.2295379638672	140.0
165.07113647460938	856.0
165.23855590820312	192.0
165.33580017089844	172.0
165.37673950195312	156.0
165.88687133789062	224.0
165.98646545410156	156.0
166.078125	996.0
166.42266845703125	160.0
166.7154998779297	168.0
166.94686889648438	176.0
167.03173828125	200.0
167.08628845214844	2828.0
167.33798217773438	252.0
168.0883331298828	816.0
168.24288940429688	140.0
168.56088256835938	168.0
169.06483459472656	176.0
169.3972930908203	128.0
169.66575622558594	160.0
170.0594024658203	936.0
170.30409240722656	204.0
170.38722229003906	172.0
170.5666046142578	128.0
170.86297607421875	232.0
170.8994140625	184.0
171.0653839111328	320.0
171.16751098632812	180.0
171.3133544921875	148.0
171.93130493164062	152.0
172.64971923828125	164.0
173.07101440429688	160.0
173.20458984375	148.0
173.24649047851562	152.0
173.44302368164062	176.0
173.6999969482422	144.0
173.88104248046875	140.0
174.05809020996094	292.0
174.32485961914062	188.0
174.603515625	188.0
175.1246337890625	144.0
175.1686553955078	140.0
175.28269958496094	160.0
176.03184509277344	160.0
176.0637969970703	280.0
176.44931030273438	140.0
176.58416748046875	160.0
177.07008361816406	800.0
177.5694122314453	144.0
177.877197265625	148.0
178.0773468017578	1292.0
178.4643096923828	204.0
178.89796447753906	164.0
179.02577209472656	148.0
179.0859832763672	292.0
180.05751037597656	160.0
180.4051971435547	180.0
181.03395080566406	184.0
181.06443786621094	208.0
181.36080932617188	140.0
181.478759765625	236.0
182.48829650878906	224.0
182.74380493164062	176.0
183.5761260986328	152.0
184.00514221191406	192.0
184.90797424316406	144.0
185.08663940429688	144.0
185.42526245117188	140.0
186.23377990722656	144.0
186.4375457763672	208.0
186.58518981933594	152.0
187.2762908935547	124.0
187.65155029296875	140.0
187.91395568847656	152.0
187.97067260742188	168.0
188.07424926757812	172.0
188.30645751953125	140.0
188.4512481689453	176.0
189.0736541748047	208.0
189.468994140625	180.0
189.9350128173828	152.0
190.1956787109375	164.0
190.61038208007812	148.0
190.7642822265625	204.0
191.07586669921875	160.0
191.2786865234375	196.0
191.5568084716797	140.0
191.58985900878906	152.0
191.89576721191406	144.0
191.94178771972656	192.0
192.07778930664062	296.0
192.81576538085938	168.0
193.0523223876953	252.0
193.0918426513672	632.0
193.52589416503906	148.0
193.78623962402344	144.0
193.90855407714844	128.0
193.9303436279297	192.0
194.03216552734375	148.0
194.07411193847656	552.0
194.0957489013672	1856.0
194.12718200683594	192.0
194.34909057617188	160.0
194.79051208496094	192.0
195.04893493652344	172.0
195.08103942871094	996.0
195.36036682128906	196.0
195.49615478515625	160.0
196.08203125	136.0
196.2961883544922	156.0
196.36590576171875	220.0
197.2174835205078	160.0
197.33767700195312	156.0
197.49427795410156	176.0
198.056884765625	140.0
198.09329223632812	164.0
198.2530059814453	172.0
199.34461975097656	172.0
199.42330932617188	140.0
199.75791931152344	192.0
200.03392028808594	148.0
200.23077392578125	148.0
200.7696533203125	208.0
201.42385864257812	252.0
201.8195037841797	200.0
201.9043426513672	184.0
202.54681396484375	156.0
202.81883239746094	144.0
202.85284423828125	140.0
203.0795135498047	340.0
204.087158203125	264.0
204.48606872558594	148.0
204.78216552734375	176.0
205.07550048828125	716.0
205.09808349609375	384.0
205.68603515625	148.0
205.9087371826172	140.0
206.05557250976562	196.0
206.0962677001953	14292.0
206.16014099121094	172.0
206.26588439941406	140.0
206.2969970703125	124.0
206.3831024169922	172.0
206.98684692382812	252.0
207.09906005859375	1924.0
208.10011291503906	356.0
208.45162963867188	136.0
208.88389587402344	220.0
209.2321014404297	284.0
209.4884033203125	168.0
209.518798828125	112.0
209.59376525878906	168.0
210.0851287841797	140.0
210.1553955078125	220.0
211.09429931640625	108.0
211.3042755126953	160.0
212.42539978027344	168.0
213.971435546875	120.0
214.13742065429688	176.0
215.5260009765625	152.0
216.00253295898438	140.0
216.0769805908203	116.0
216.5235137939453	148.0
216.6553192138672	192.0
216.82705688476562	204.0
216.90440368652344	156.0
216.9307861328125	140.0
217.09400939941406	444.0
217.2357635498047	164.0
217.32142639160156	160.0
217.65838623046875	164.0
217.73739624023438	128.0
217.79348754882812	148.0
217.82286071777344	212.0
218.06378173828125	160.0
218.09271240234375	136.0
218.35238647460938	172.0
218.566650390625	140.0
218.59019470214844	164.0
218.86099243164062	156.0
219.10687255859375	300.0
219.42079162597656	160.0
219.8898162841797	152.0
220.11245727539062	720.0
220.14369201660156	164.0
220.2263946533203	200.0
220.29034423828125	188.0
220.3415985107422	164.0
220.39181518554688	148.0
220.74948120117188	160.0
221.27024841308594	156.0
222.0923309326172	332.0
222.62649536132812	128.0
222.6965789794922	152.0
223.17799377441406	140.0
224.66116333007812	140.0
225.24392700195312	196.0
225.3687286376953	176.0
226.0474853515625	140.0
226.43455505371094	148.0
226.5175323486328	196.0
226.9524383544922	168.0
227.16201782226562	160.0
227.4801025390625	184.0
227.70230102539062	164.0
228.6282501220703	168.0
228.7125244140625	140.0
228.95338439941406	208.0
229.08892822265625	144.0
229.92413330078125	188.0
229.9956817626953	136.0
230.0947723388672	712.0
230.36798095703125	216.0
230.5655975341797	148.0
230.79595947265625	144.0
230.91323852539062	112.0
231.09344482421875	132.0
231.13893127441406	148.0
231.22064208984375	228.0
231.39317321777344	188.0
231.61424255371094	200.0
232.0263671875	152.0
232.08151245117188	192.0
232.326904296875	120.0
232.41458129882812	220.0
232.44493103027344	252.0
232.61184692382812	176.0
233.0889434814453	476.0
233.3074951171875	252.0
233.33790588378906	172.0
233.3926239013672	172.0
233.974609375	244.0
234.05120849609375	160.0
234.09173583984375	25112.0
234.14132690429688	188.0
234.21371459960938	184.0
234.63331604003906	160.0
235.09510803222656	5316.0
235.15341186523438	160.0
235.26634216308594	152.0
235.48936462402344	208.0
235.59005737304688	208.0
235.7022705078125	148.0
235.8123016357422	196.0
236.09768676757812	428.0
236.46690368652344	260.0
236.68190002441406	140.0
236.80718994140625	132.0
236.8977813720703	140.0
237.98194885253906	204.0
238.0126495361328	140.0
238.2429962158203	152.0
239.1162567138672	164.0
239.65411376953125	148.0
240.3396453857422	144.0
240.4384002685547	176.0
240.55992126464844	136.0
240.65090942382812	128.0
240.7996063232422	184.0
241.38987731933594	212.0
241.63113403320312	196.0
241.82608032226562	148.0
241.92300415039062	128.0
241.9715576171875	244.0
242.17904663085938	148.0
242.40829467773438	280.0
243.0284423828125	160.0
244.02854919433594	180.0
244.0689697265625	152.0
244.48892211914062	160.0
244.75039672851562	172.0
244.89364624023438	188.0
245.36300659179688	148.0
245.42596435546875	152.0
245.96937561035156	244.0
246.2253875732422	216.0
247.08499145507812	160.0
247.88340759277344	196.0
248.10499572753906	1056.0
248.14205932617188	176.0
248.16864013671875	236.0
248.57640075683594	156.0
249.11407470703125	368.0
250.07545471191406	172.0
250.3021240234375	196.0
250.3336181640625	144.0
250.46849060058594	160.0
251.105712890625	152.0
252.8971405029297	152.0
253.0079345703125	156.0
253.7968292236328	156.0
253.9934539794922	140.0
254.5964813232422	168.0
254.68223571777344	144.0
255.063720703125	132.0
255.66146850585938	148.0
255.69647216796875	208.0
255.79196166992188	148.0
256.07415771484375	140.0
256.4018859863281	184.0
256.7669372558594	196.0
257.4317932128906	196.0
258.10174560546875	148.0
258.71923828125	144.0
258.8825378417969	144.0
259.020263671875	152.0
260.4508361816406	164.0
260.5472106933594	168.0
260.70416259765625	132.0
260.8460693359375	156.0
261.0486145019531	152.0
261.1418762207031	224.0
261.2094421386719	148.0
261.4571838378906	192.0
261.56982421875	208.0
261.7179260253906	156.0
261.8660583496094	244.0
262.2107849121094	180.0
262.3463439941406	136.0
263.4595031738281	156.0
263.78912353515625	156.0
263.8935852050781	156.0
264.166015625	132.0
265.00921630859375	152.0
265.2295837402344	148.0
265.48895263671875	148.0
265.6727294921875	144.0
266.0145568847656	152.0
266.44580078125	172.0
266.8202209472656	148.0
267.5815124511719	156.0
268.2688903808594	172.0
268.83642578125	184.0
268.86578369140625	144.0
269.35552978515625	160.0
269.6561279296875	192.0
270.0222473144531	192.0
270.6658935546875	112.0
270.9781494140625	156.0
271.57147216796875	160.0
272.1391906738281	156.0
272.4212951660156	116.0
273.6993103027344	196.0
273.7848205566406	132.0
273.95458984375	192.0
274.25115966796875	180.0
274.4245300292969	140.0
274.5742492675781	164.0
274.6557922363281	100.0
274.75567626953125	160.0
274.9536437988281	140.0
275.0184020996094	104.0
275.07440185546875	116.0
275.1603698730469	172.0
275.3264465332031	100.0
275.417236328125	184.0
275.4576110839844	144.0
275.584228515625	100.0
275.6234130859375	132.0
275.68536376953125	168.0
275.76971435546875	216.0
275.8079833984375	192.0
275.8369140625	384.0
275.88665771484375	132.0
275.91552734375	208.0
275.947998046875	252.0
276.0038146972656	176.0
276.1038513183594	149520.0
276.1705017089844	120.0
276.221923828125	400.0
276.2593078613281	176.0
276.35638427734375	148.0
276.38818359375	112.0
276.4241027832031	108.0
276.50103759765625	176.0
276.5296936035156	116.0
276.55596923828125	224.0
276.6473083496094	2200.0
276.69439697265625	180.0
276.7367858886719	124.0
276.8309326171875	100.0
276.9149475097656	124.0
276.9496765136719	172.0
277.03399658203125	184.0
277.1060485839844	40332.0
277.21856689453125	112.0
277.3027038574219	192.0
277.4541931152344	124.0
277.6535949707031	156.0
277.7447509765625	120.0
277.80169677734375	140.0
277.8305969238281	160.0
277.8951110839844	120.0
277.9696350097656	112.0
278.053466796875	132.0
278.10894775390625	2932.0
278.16876220703125	160.0
278.30572509765625	108.0
278.33819580078125	96.0
278.3874206542969	168.0
278.4474182128906	112.0
278.5177001953125	120.0
278.647216796875	148.0
278.67864990234375	132.0
278.804931640625	144.0
278.88067626953125	148.0
278.95416259765625	140.0
279.02349853515625	96.0
279.05743408203125	168.0
279.1081237792969	256.0
279.1419372558594	152.0
279.2078857421875	132.0
279.23736572265625	292.0
279.4462585449219	148.0
279.496337890625	144.0
279.7591552734375	120.0
280.0866394042969	108.0
280.1439514160156	160.0
281.1280212402344	120.0
281.7139892578125	204.0
281.9779357910156	140.0
282.0013427734375	160.0
282.26544189453125	148.0
282.3390197753906	200.0
282.4707946777344	140.0
282.54638671875	180.0
283.2560729980469	156.0
284.19476318359375	144.0
284.3961181640625	260.0
285.0509948730469	188.0
285.8578186035156	120.0
286.64520263671875	132.0
287.3574523925781	172.0
287.62255859375	144.0
287.78271484375	240.0
288.07794189453125	124.0
288.13397216796875	140.0
288.90380859375	128.0
289.0299377441406	152.0
290.4019470214844	144.0
290.4649658203125	104.0
290.7460021972656	196.0
290.9194641113281	108.0
290.98480224609375	116.0
291.0502014160156	184.0
291.41015625	148.0
291.5086975097656	240.0
291.6711730957031	212.0
291.99041748046875	188.0
292.0232849121094	108.0
292.09307861328125	160.0
292.201171875	120.0
292.2729797363281	200.0
292.3747253417969	156.0
292.4454040527344	120.0
292.6879577636719	108.0
292.8644714355469	276.0
292.888916015625	128.0
292.9539794921875	124.0
293.00885009765625	124.0
293.0504455566406	212.0
293.1094055175781	124.0
293.135498046875	208.0
293.20257568359375	112.0
293.2287902832031	152.0
293.3104553222656	296.0
293.3829650878906	280.0
293.4239196777344	368.0
293.4735412597656	288.0
293.50323486328125	268.0
293.6133728027344	164.0
293.656005859375	392.0
293.7183532714844	292.0
293.7437744140625	136.0
293.7885437011719	184.0
293.81475830078125	340.0
293.87213134765625	492.0
293.9049072265625	204.0
293.9307861328125	288.0
294.0522155761719	712.0
294.11517333984375	219560.0
294.2211608886719	168.0
294.28271484375	128.0
294.3451843261719	340.0
294.4316101074219	1040.0
294.48931884765625	464.0
294.53411865234375	884.0
294.6363525390625	1272.0
294.68121337890625	10252.0
294.7145080566406	484.0
294.7455749511719	208.0
294.8050537109375	180.0
294.83453369140625	156.0
294.8913269042969	148.0
294.9398498535156	360.0
294.9451904296875	436.0
295.02166748046875	280.0
295.11737060546875	104344.0
295.21173095703125	336.0
295.28436279296875	112.0
295.31451416015625	208.0
295.34979248046875	128.0
295.4696960449219	124.0
295.5463562011719	224.0
295.6244201660156	144.0
295.80975341796875	160.0
295.842529296875	112.0
295.8730773925781	216.0
295.94775390625	128.0
296.06201171875	272.0
296.119140625	11004.0
296.2479248046875	132.0
296.28790283203125	104.0
296.3463439941406	164.0
296.37786865234375	96.0
296.55206298828125	124.0
296.6160888671875	136.0
296.71368408203125	136.0
296.7742004394531	176.0
296.80792236328125	348.0
296.8521728515625	180.0
296.8938903808594	204.0
296.9298095703125	176.0
296.9703674316406	168.0
297.0023498535156	296.0
297.0386047363281	172.0
297.12030029296875	788.0
297.16986083984375	188.0
297.207275390625	304.0
297.23516845703125	248.0
297.3078308105469	244.0
297.4231872558594	136.0
297.48095703125	128.0
297.5160217285156	184.0
297.57232666015625	128.0
297.6661682128906	112.0
297.71868896484375	96.0
298.0929260253906	216.0
298.2276306152344	140.0
298.2926940917969	132.0
298.3269958496094	108.0
298.60101318359375	104.0
298.67132568359375	176.0
298.841552734375	128.0
298.9587097167969	104.0
299.1723327636719	104.0
301.5708312988281	96.0
301.7383117675781	120.0
303.1825866699219	104.0
306.6905517578125	140.0
307.857421875	96.0
309.723876953125	100.0
323.3055114746094	140.0
323.767333984375	148.0
329.61297607421875	180.0
333.99969482421875	172.0
338.0091247558594	140.0
358.2418518066406	144.0
392.0801086425781	140.0
404.7605895996094	144.0
458.6719055175781	148.0
487.8790283203125	100.0
519.48779296875	108.0
522.2921752929688	144.0
581.0944213867188	148.0
908.8544921875	164.0
945.9219360351562	144.0
1134.816650390625	140.0
1169.1591796875	200.0
1207.739013671875	244.0
1261.5286865234375	164.0
1271.8280029296875	176.0
1279.142333984375	160.0
1350.8033447265625	164.0
1352.171630859375	140.0
1360.226806640625	160.0
1367.120849609375	176.0
1368.4383544921875	180.0
1369.27783203125	176.0
1376.600830078125	148.0
1378.9722900390625	220.0
1416.8482666015625	192.0
1428.559326171875	144.0
1432.127197265625	160.0
1436.8310546875	160.0
1463.517333984375	188.0
1480.4156494140625	164.0
1481.020751953125	188.0
1486.3641357421875	204.0
1490.341552734375	156.0
1493.85498046875	184.0
1494.531982421875	200.0
1497.118408203125	212.0
1503.2109375	132.0
1518.712158203125	140.0
1520.690673828125	188.0
1525.6619873046875	188.0
1528.158447265625	144.0
1529.193359375	232.0
1529.8394775390625	176.0
1530.14306640625	192.0
1530.633544921875	160.0
1532.328857421875	148.0
1533.2276611328125	172.0
1538.8829345703125	176.0
1542.40625	152.0
1543.3912353515625	188.0
1546.78662109375	164.0
1558.5660400390625	184.0
1561.4117431640625	148.0
1567.024169921875	192.0
1571.612060546875	164.0
1580.69189453125	148.0
1584.5557861328125	204.0
1588.55126953125	144.0
1596.37451171875	192.0
1598.6417236328125	304.0
1601.8424072265625	168.0
1608.572509765625	160.0
1615.436767578125	232.0
1617.069091796875	248.0
1619.150634765625	160.0
1620.6966552734375	144.0
1623.406005859375	184.0
1624.2080078125	200.0
1630.3017578125	208.0
1630.896484375	180.0
1640.3221435546875	188.0
1641.0718994140625	188.0
1653.7061767578125	224.0
1655.1148681640625	164.0
1655.8516845703125	212.0
1658.2418212890625	176.0
1661.4366455078125	148.0
1668.9410400390625	164.0
1687.5472412109375	204.0
1701.0975341796875	228.0
1713.32373046875	220.0
1714.9493408203125	156.0
1729.5111083984375	168.0
1734.7296142578125	152.0
1745.7056884765625	192.0
1746.2545166015625	192.0
1749.8909912109375	160.0
1761.7000732421875	148.0
1762.134521484375	140.0
1775.8043212890625	140.0
1777.440185546875	176.0
1790.604736328125	168.0
1792.7783203125	140.0
1794.0594482421875	200.0
1796.494873046875	192.0
1798.5555419921875	192.0
1800.15966796875	140.0
1804.418212890625	160.0
1806.329345703125	140.0
1809.15576171875	148.0
1810.341064453125	148.0
1818.0130615234375	140.0
1824.043212890625	148.0
1824.765869140625	172.0
1825.16552734375	160.0
1837.182861328125	164.0
1839.32470703125	148.0
1840.7930908203125	148.0
1844.6378173828125	244.0
1845.03955078125	192.0
1851.182861328125	164.0
1853.812744140625	172.0
1863.8353271484375	252.0
1868.41796875	196.0
1870.3455810546875	148.0
1872.2655029296875	204.0
1883.892333984375	160.0
1884.488525390625	208.0
1887.556884765625	148.0
1900.541015625	172.0
1909.5928955078125	180.0
1917.35009765625	164.0
1921.6141357421875	188.0
1927.717529296875	164.0
1930.7772216796875	180.0
1932.92919921875	236.0
1936.1944580078125	140.0
1937.306884765625	196.0
1939.2520751953125	192.0
1946.5950927734375	248.0
1946.735595703125	212.0
1951.902587890625	188.0
1953.0281982421875	236.0
1953.3878173828125	160.0
1953.503173828125	140.0
1959.3839111328125	172.0
1967.250244140625	184.0
1968.9072265625	152.0
1969.8199462890625	232.0
1969.9967041015625	184.0
1973.4698486328125	224.0
1975.079345703125	184.0
1976.645263671875	180.0
1979.2919921875	152.0
1982.6669921875	180.0
1986.08935546875	148.0
1988.804443359375	144.0
1994.4090576171875	228.0
1994.6490478515625	184.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078947
PEPMASS=296.19101
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ESMOLOL HYDROCHLORIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
INCHI=InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
INCHIAUX=AQNDDEOPVVGCPG-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078947
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078947
SCANS=1069
44.964935302734375	212.0
45.07844924926758	216.0
45.3608512878418	156.0
45.46547317504883	184.0
45.54871368408203	216.0
45.66699981689453	204.0
46.09706497192383	224.0
46.267486572265625	152.0
47.024635314941406	164.0
47.22685241699219	196.0
47.295265197753906	140.0
47.3787956237793	144.0
47.59123611450195	188.0
48.229225158691406	168.0
48.3550910949707	208.0
48.557369232177734	176.0
48.71772003173828	260.0
48.89701461791992	232.0
49.38748550415039	184.0
49.489646911621094	148.0
49.927459716796875	148.0
50.03017807006836	256.0
50.289546966552734	164.0
51.111507415771484	152.0
51.537845611572266	140.0
51.97743606567383	164.0
52.09229278564453	188.0
52.13396072387695	164.0
52.25042724609375	160.0
52.5371208190918	172.0
52.88970947265625	140.0
53.28705596923828	164.0
53.4237174987793	144.0
53.5634651184082	184.0
53.68297576904297	156.0
54.367252349853516	120.0
54.49095916748047	180.0
55.10681915283203	156.0
55.1201171875	160.0
55.49756622314453	176.0
55.59398651123047	216.0
55.63851547241211	164.0
56.251094818115234	180.0
56.72454833984375	172.0
56.92722702026367	208.0
57.354373931884766	148.0
57.413177490234375	168.0
57.545963287353516	168.0
57.74997329711914	152.0
58.20613098144531	232.0
58.55898666381836	164.0
58.80136489868164	196.0
59.08711242675781	152.0
59.10700607299805	200.0
59.23867416381836	156.0
59.286170959472656	180.0
59.38582229614258	152.0
59.445655822753906	168.0
59.467140197753906	160.0
59.515869140625	216.0
59.87148666381836	236.0
59.98858642578125	152.0
60.189151763916016	232.0
60.31892776489258	204.0
60.35293960571289	152.0
60.65510177612305	160.0
61.401145935058594	144.0
61.491634368896484	172.0
61.70876693725586	188.0
62.00461959838867	144.0
62.07673645019531	156.0
62.197540283203125	248.0
62.4969367980957	172.0
62.56538391113281	172.0
62.625221252441406	164.0
62.79071044921875	144.0
62.9579963684082	276.0
63.237831115722656	172.0
63.3787727355957	148.0
63.44058609008789	152.0
63.52145767211914	192.0
63.791412353515625	148.0
64.04759979248047	180.0
64.1049575805664	156.0
64.12089538574219	160.0
64.14640045166016	168.0
64.25483703613281	148.0
64.41691589355469	152.0
64.61750793457031	208.0
64.75997924804688	244.0
64.82405853271484	180.0
64.89298248291016	216.0
65.2383041381836	216.0
65.67292022705078	176.0
65.7519760131836	156.0
65.86177062988281	364.0
66.2127456665039	180.0
66.42344665527344	148.0
66.48997497558594	164.0
66.54029083251953	144.0
66.78892517089844	140.0
67.90859985351562	168.0
67.95370483398438	180.0
68.57962036132812	120.0
68.71216583251953	148.0
68.80623626708984	160.0
69.2508316040039	148.0
69.64083099365234	164.0
70.3167953491211	156.0
70.343505859375	208.0
70.53058624267578	220.0
70.57740020751953	144.0
70.90047454833984	236.0
70.91388702392578	204.0
71.19839477539062	160.0
71.45796203613281	168.0
71.64483642578125	172.0
71.7442626953125	152.0
72.71009826660156	168.0
73.01656341552734	196.0
73.22694396972656	188.0
73.52359771728516	156.0
73.5509033203125	144.0
73.8841323852539	156.0
74.19924926757812	196.0
74.23182678222656	164.0
74.25068664550781	188.0
74.42057037353516	180.0
74.43946075439453	224.0
74.46056365966797	168.0
74.60784149169922	144.0
74.70349884033203	128.0
74.89693450927734	148.0
75.19522094726562	180.0
75.39728546142578	220.0
75.46988677978516	188.0
75.98081970214844	156.0
76.11099243164062	184.0
76.24822235107422	188.0
76.4029769897461	172.0
76.42385864257812	176.0
76.47432708740234	176.0
76.70249938964844	144.0
76.79142761230469	172.0
77.04627990722656	184.0
77.11617279052734	152.0
77.38906860351562	196.0
77.73613739013672	228.0
77.79229736328125	204.0
77.83360290527344	144.0
78.13419342041016	168.0
78.41849517822266	180.0
78.70427703857422	172.0
78.74136352539062	140.0
79.42810821533203	176.0
79.5345687866211	212.0
79.65335845947266	196.0
79.6677474975586	140.0
79.77437591552734	160.0
79.9308853149414	160.0
80.18083953857422	120.0
80.56382751464844	192.0
80.67161560058594	188.0
80.9483642578125	156.0
81.08631134033203	176.0
81.15084075927734	180.0
81.55475616455078	152.0
81.79398345947266	168.0
81.91282653808594	148.0
82.13634490966797	192.0
82.44327545166016	168.0
82.54993438720703	140.0
83.23307800292969	164.0
83.34933471679688	232.0
83.52568054199219	156.0
83.80968475341797	144.0
84.08686828613281	168.0
85.16160583496094	176.0
85.2406005859375	176.0
85.42261505126953	180.0
85.48516845703125	160.0
86.37259674072266	172.0
86.96180725097656	196.0
87.23114013671875	148.0
87.36131286621094	188.0
87.60890197753906	160.0
87.64244079589844	176.0
87.73003387451172	168.0
87.76358795166016	144.0
88.09579467773438	180.0
88.26961517333984	208.0
88.33694458007812	152.0
89.2615737915039	160.0
89.44029998779297	192.0
89.50431060791016	164.0
89.61355590820312	140.0
89.85865783691406	172.0
90.04070281982422	172.0
90.37824249267578	208.0
90.81584930419922	140.0
91.03012084960938	124.0
91.05406951904297	540.0
91.23360443115234	172.0
91.38765716552734	152.0
91.69424438476562	192.0
91.99561309814453	148.0
92.32754516601562	144.0
92.96793365478516	180.0
93.39225006103516	196.0
93.51374053955078	168.0
93.70092010498047	176.0
93.75254821777344	208.0
94.09009552001953	144.0
94.90982055664062	172.0
95.01018524169922	160.0
95.42886352539062	156.0
95.60003662109375	156.0
95.75968170166016	204.0
95.88436889648438	164.0
96.70661163330078	148.0
96.9043960571289	188.0
97.01610565185547	192.0
97.0557632446289	124.0
97.4655532836914	144.0
97.62870788574219	184.0
98.02333068847656	164.0
98.09662628173828	3328.0
98.21562194824219	160.0
98.64213562011719	148.0
99.09781646728516	296.0
99.11514282226562	140.0
99.52374267578125	156.0
99.55659484863281	192.0
99.61311340332031	196.0
99.78401947021484	172.0
99.861572265625	144.0
99.9033432006836	144.0
100.04544830322266	148.0
100.06255340576172	152.0
100.11222076416016	696.0
100.15738677978516	116.0
100.22986602783203	200.0
100.46711730957031	144.0
100.66471862792969	152.0
101.11652374267578	332.0
101.36283874511719	172.0
101.45503997802734	216.0
101.92267608642578	164.0
101.93972778320312	132.0
102.3490982055664	144.0
102.6634521484375	140.0
103.01262664794922	144.0
103.05387115478516	436.0
103.09546661376953	160.0
103.32799530029297	240.0
103.59522247314453	144.0
103.69451141357422	208.0
104.05934143066406	392.0
104.50475311279297	160.0
104.54951477050781	236.0
104.6859130859375	172.0
104.75312042236328	152.0
105.0003433227539	96.0
105.034423828125	168.0
105.06919860839844	2144.0
105.1548080444336	180.0
105.70862579345703	144.0
105.92359924316406	208.0
106.08365631103516	184.0
106.23108673095703	152.0
106.2721176147461	140.0
106.43836975097656	180.0
106.5983657836914	176.0
106.69865417480469	220.0
107.04936218261719	2912.0
107.0925521850586	200.0
107.28810119628906	168.0
107.33797454833984	148.0
107.48609924316406	196.0
107.53562927246094	148.0
107.56658935546875	152.0
107.67189025878906	176.0
107.86404418945312	156.0
108.05327606201172	300.0
108.22815704345703	212.0
108.40422821044922	172.0
108.69038391113281	160.0
109.0558853149414	144.0
109.19102478027344	164.0
109.25550842285156	148.0
109.5948715209961	140.0
110.0850601196289	144.0
110.42362213134766	172.0
110.4989242553711	232.0
110.6351318359375	120.0
110.65145111083984	200.0
110.8381118774414	188.0
112.14737701416016	180.0
112.23802947998047	152.0
112.38145446777344	140.0
112.45458221435547	212.0
112.4933090209961	240.0
113.69977569580078	144.0
113.8207778930664	164.0
114.40545654296875	144.0
114.44230651855469	252.0
114.66532135009766	188.0
114.69371795654297	236.0
114.8017578125	140.0
114.99163055419922	156.0
115.00870513916016	152.0
115.05522155761719	980.0
115.08129119873047	144.0
115.19661712646484	196.0
115.53651428222656	152.0
116.06161499023438	116.0
116.10707092285156	8852.0
116.15989685058594	172.0
116.40027618408203	140.0
116.427001953125	188.0
116.56782531738281	176.0
117.06924438476562	1180.0
117.10960388183594	628.0
117.55838775634766	160.0
117.98822021484375	208.0
118.07098388671875	272.0
118.1612319946289	148.0
118.21099853515625	220.0
118.28675079345703	152.0
118.36468505859375	184.0
119.00867462158203	148.0
119.05006408691406	13504.0
119.0835189819336	612.0
119.20633697509766	176.0
119.45813751220703	172.0
119.48029327392578	196.0
119.5360107421875	132.0
119.78942108154297	144.0
119.89618682861328	168.0
119.93977355957031	152.0
120.05314636230469	968.0
120.07931518554688	172.0
120.4219741821289	172.0
120.96642303466797	140.0
121.01239776611328	172.0
121.06542205810547	1744.0
121.24020385742188	144.0
121.53185272216797	196.0
121.63719177246094	156.0
121.77112579345703	200.0
122.06847381591797	172.0
122.43310546875	168.0
122.84748077392578	152.0
122.96884155273438	188.0
123.60308074951172	188.0
124.09036254882812	172.0
124.37432098388672	196.0
124.57638549804688	200.0
124.70526123046875	184.0
125.36402130126953	248.0
125.78108215332031	148.0
125.86368560791016	156.0
126.19324493408203	172.0
126.303955078125	168.0
126.87049102783203	144.0
126.96691131591797	188.0
127.00054931640625	156.0
127.32598876953125	216.0
127.46526336669922	160.0
127.55066680908203	156.0
127.59119415283203	152.0
127.90831756591797	172.0
128.06143188476562	144.0
128.261962890625	176.0
128.32057189941406	144.0
128.5574188232422	140.0
128.87127685546875	172.0
129.0731201171875	316.0
129.21530151367188	148.0
129.51148986816406	148.0
129.74716186523438	148.0
129.7879638671875	160.0
130.0057373046875	144.0
130.2872772216797	160.0
130.31918334960938	196.0
130.3622589111328	140.0
130.7238311767578	204.0
130.99249267578125	148.0
131.04714965820312	604.0
131.08546447753906	712.0
131.44161987304688	140.0
132.09140014648438	400.0
132.4871063232422	148.0
132.6468963623047	148.0
132.83493041992188	184.0
132.8704833984375	144.0
132.94964599609375	156.0
133.00244140625	192.0
133.06532287597656	16836.0
133.12025451660156	164.0
133.26882934570312	176.0
133.33546447753906	176.0
133.6873321533203	156.0
133.7968292236328	196.0
133.88531494140625	160.0
134.06809997558594	2032.0
134.33013916015625	180.0
134.37628173828125	144.0
134.4078826904297	156.0
134.461669921875	152.0
135.0424346923828	280.0
135.07962036132812	412.0
135.26138305664062	156.0
135.44662475585938	152.0
135.75950622558594	260.0
136.05152893066406	400.0
136.0862274169922	272.0
136.18190002441406	228.0
136.25390625	148.0
136.29107666015625	196.0
137.0608367919922	920.0
137.14981079101562	220.0
137.71212768554688	172.0
138.06736755371094	224.0
139.05838012695312	228.0
139.0795135498047	140.0
139.38951110839844	164.0
139.88841247558594	140.0
140.6825408935547	168.0
140.96359252929688	172.0
140.98959350585938	140.0
141.0750274658203	188.0
141.14088439941406	140.0
141.37742614746094	184.0
141.4324493408203	196.0
141.54786682128906	144.0
141.6141815185547	168.0
141.635498046875	160.0
141.699462890625	144.0
141.76580810546875	156.0
142.3944854736328	232.0
142.70816040039062	160.0
142.8080291748047	156.0
143.07862854003906	156.0
143.10073852539062	156.0
143.2078857421875	184.0
143.52008056640625	180.0
143.54153442382812	160.0
143.56942749023438	144.0
143.642578125	212.0
143.78009033203125	216.0
144.0574188232422	1028.0
144.14645385742188	124.0
144.42039489746094	172.0
144.50889587402344	144.0
144.5830841064453	140.0
144.62945556640625	192.0
144.91236877441406	272.0
144.95558166503906	160.0
145.01161193847656	340.0
145.06568908691406	87968.0
145.18026733398438	140.0
145.2078399658203	328.0
145.26934814453125	100.0
145.4130096435547	176.0
145.49240112304688	144.0
145.62838745117188	148.0
145.73487854003906	140.0
145.79283142089844	160.0
145.9305419921875	124.0
146.01876831054688	140.0
146.069091796875	7732.0
146.29598999023438	168.0
146.56178283691406	148.0
146.64785766601562	184.0
146.77044677734375	148.0
146.80282592773438	208.0
146.9044952392578	108.0
147.03878784179688	144.0
147.07713317871094	732.0
147.11463928222656	272.0
147.39907836914062	144.0
147.4513397216797	184.0
147.54408264160156	172.0
147.9263153076172	156.0
148.04977416992188	308.0
148.0818328857422	152.0
148.4676971435547	208.0
149.05859375	376.0
149.74740600585938	184.0
149.77687072753906	124.0
149.8740692138672	180.0
149.9423065185547	172.0
150.84051513671875	148.0
151.0757598876953	2804.0
151.4497833251953	176.0
151.69140625	168.0
151.73159790039062	188.0
151.8272247314453	168.0
151.88595581054688	160.0
152.07928466796875	684.0
152.10585021972656	128.0
152.4188232421875	156.0
152.617919921875	232.0
152.66464233398438	152.0
153.04937744140625	124.0
153.07470703125	132.0
153.1625213623047	136.0
153.5758819580078	160.0
154.6779022216797	156.0
154.8660888671875	144.0
155.6215057373047	128.0
156.23631286621094	168.0
156.33193969726562	120.0
156.36817932128906	180.0
156.75914001464844	140.0
156.9810333251953	168.0
157.0443115234375	148.0
157.60244750976562	164.0
158.2203369140625	144.0
158.36306762695312	180.0
158.6612548828125	152.0
158.71139526367188	168.0
159.05007934570312	140.0
159.08050537109375	4028.0
159.12789916992188	196.0
159.4393768310547	148.0
159.7310333251953	140.0
160.08395385742188	240.0
160.39578247070312	148.0
160.49681091308594	168.0
160.55967712402344	156.0
160.77783203125	116.0
160.85992431640625	188.0
161.01394653320312	188.0
161.05970764160156	4068.0
161.09457397460938	808.0
161.2008819580078	184.0
162.06350708007812	796.0
162.09219360351562	6684.0
162.3349609375	176.0
162.72447204589844	140.0
162.80128479003906	220.0
162.95957946777344	260.0
163.07582092285156	9072.0
163.27012634277344	120.0
163.50608825683594	152.0
163.8192596435547	188.0
164.07852172851562	1560.0
164.53384399414062	116.0
164.83627319335938	176.0
165.085693359375	196.0
165.10568237304688	172.0
165.35951232910156	164.0
165.76101684570312	184.0
165.95494079589844	152.0
166.08660888671875	188.0
166.97528076171875	152.0
167.1322021484375	192.0
167.35354614257812	160.0
167.44882202148438	140.0
167.9901123046875	172.0
169.09600830078125	204.0
169.59091186523438	148.0
169.72032165527344	156.0
170.0783233642578	196.0
170.7538604736328	220.0
171.33953857421875	140.0
171.51412963867188	208.0
172.3257293701172	176.0
173.40121459960938	160.0
173.4798583984375	152.0
174.9088592529297	140.0
174.99046325683594	144.0
175.07435607910156	812.0
175.11123657226562	464.0
175.99501037597656	184.0
176.061767578125	164.0
176.0795135498047	208.0
177.09178161621094	1316.0
177.3706817626953	212.0
177.41310119628906	188.0
178.08970642089844	140.0
178.2860565185547	188.0
178.32354736328125	144.0
178.352783203125	140.0
179.10845947265625	148.0
179.6495819091797	152.0
180.1032257080078	740.0
180.3224639892578	164.0
180.587158203125	168.0
180.710205078125	224.0
181.02606201171875	144.0
181.1013641357422	168.0
181.1775665283203	120.0
181.47352600097656	236.0
182.55833435058594	196.0
182.62826538085938	168.0
182.9027099609375	176.0
183.9053955078125	140.0
183.946044921875	140.0
184.37803649902344	148.0
184.90269470214844	160.0
185.05699157714844	144.0
185.60853576660156	132.0
186.48931884765625	148.0
187.0758819580078	3224.0
187.11045837402344	1336.0
187.3246612548828	208.0
188.07858276367188	468.0
188.1809844970703	156.0
188.2733154296875	128.0
188.87237548828125	188.0
188.9818115234375	140.0
189.21170043945312	156.0
189.9214324951172	148.0
189.94886779785156	172.0
190.4264678955078	184.0
190.48963928222656	212.0
190.56466674804688	192.0
190.65724182128906	148.0
191.082275390625	3372.0
191.1522216796875	180.0
191.397216796875	148.0
191.71949768066406	160.0
191.77987670898438	168.0
192.08604431152344	448.0
192.30142211914062	184.0
192.66590881347656	156.0
192.88145446777344	152.0
193.05010986328125	192.0
193.0861053466797	5592.0
193.13296508789062	340.0
193.32762145996094	100.0
193.6201934814453	152.0
193.710205078125	144.0
194.08795166015625	972.0
194.1245574951172	180.0
194.2632293701172	228.0
194.76565551757812	180.0
195.09332275390625	472.0
195.2103271484375	176.0
195.38555908203125	172.0
195.44119262695312	160.0
195.77523803710938	164.0
196.0621795654297	160.0
196.24057006835938	212.0
196.51390075683594	148.0
196.58924865722656	200.0
197.38536071777344	176.0
197.51121520996094	148.0
197.61752319335938	216.0
197.91419982910156	192.0
199.76368713378906	192.0
199.98316955566406	152.0
201.12486267089844	212.0
201.514404296875	192.0
202.0176239013672	216.0
202.13699340820312	104.0
202.3600616455078	144.0
203.60205078125	204.0
203.96287536621094	156.0
204.10586547851562	512.0
204.1387939453125	1880.0
204.6010284423828	180.0
204.97604370117188	208.0
205.0826873779297	376.0
205.10678100585938	300.0
205.1393585205078	464.0
205.74612426757812	140.0
205.8660430908203	228.0
205.96600341796875	140.0
206.497802734375	132.0
206.75755310058594	108.0
207.10401916503906	796.0
207.2357940673828	124.0
207.7694549560547	152.0
208.0736541748047	200.0
208.11097717285156	248.0
208.5217742919922	172.0
208.88693237304688	248.0
208.91281127929688	192.0
209.11241149902344	196.0
209.9324188232422	164.0
210.648193359375	152.0
210.7059783935547	160.0
211.05857849121094	156.0
211.095458984375	744.0
211.1540069580078	148.0
211.19161987304688	172.0
211.42306518554688	156.0
211.97328186035156	180.0
212.09500122070312	236.0
212.19935607910156	148.0
213.0700225830078	180.0
213.85691833496094	212.0
214.0094451904297	244.0
214.0968017578125	192.0
214.64463806152344	144.0
214.68255615234375	152.0
214.73504638671875	140.0
215.13479614257812	176.0
215.47064208984375	160.0
216.9807891845703	148.0
217.1215362548828	164.0
217.7378387451172	188.0
218.0904083251953	184.0
218.15213012695312	156.0
218.8111114501953	144.0
218.8330535888672	120.0
218.96051025390625	168.0
219.02883911132812	128.0
219.062255859375	156.0
219.10214233398438	32472.0
219.1783905029297	204.0
219.4105682373047	136.0
219.51446533203125	196.0
219.8885040283203	164.0
220.06228637695312	120.0
220.10435485839844	3268.0
220.27508544921875	148.0
221.10594177246094	340.0
221.57376098632812	168.0
221.7532501220703	304.0
221.94131469726562	136.0
222.11488342285156	140.0
222.13870239257812	228.0
222.48887634277344	172.0
222.57200622558594	192.0
222.90821838378906	108.0
223.03802490234375	144.0
223.1139373779297	260.0
223.61790466308594	136.0
223.65414428710938	204.0
224.20811462402344	140.0
224.45254516601562	168.0
224.527099609375	172.0
224.58973693847656	196.0
224.90003967285156	192.0
224.9866180419922	156.0
225.05528259277344	200.0
225.07916259765625	164.0
225.10305786132812	204.0
225.80235290527344	180.0
225.89292907714844	160.0
226.16690063476562	128.0
226.25717163085938	184.0
226.57562255859375	168.0
227.17718505859375	140.0
227.5102996826172	184.0
227.7114715576172	168.0
227.8134765625	208.0
228.05999755859375	208.0
228.23435974121094	228.0
228.63279724121094	164.0
229.12570190429688	156.0
229.63467407226562	140.0
230.19900512695312	140.0
230.28961181640625	204.0
230.38929748535156	156.0
230.6068572998047	204.0
232.49668884277344	156.0
232.56944274902344	148.0
233.05113220214844	252.0
233.4353790283203	144.0
233.81259155273438	140.0
234.3040008544922	172.0
234.43385314941406	164.0
234.66551208496094	156.0
234.9460906982422	168.0
235.12774658203125	148.0
235.37338256835938	220.0
235.72772216796875	184.0
236.12646484375	844.0
236.62161254882812	208.0
236.6851348876953	228.0
236.86582946777344	148.0
236.98837280273438	224.0
237.04660034179688	184.0
237.1132049560547	160.0
237.5980987548828	124.0
237.7089385986328	140.0
237.8378448486328	216.0
238.69497680664062	152.0
238.83755493164062	156.0
239.88339233398438	184.0
240.56512451171875	152.0
241.32821655273438	152.0
241.7272186279297	224.0
242.39866638183594	168.0
242.86541748046875	164.0
242.98829650878906	208.0
243.80921936035156	188.0
243.8950653076172	140.0
244.2155303955078	112.0
244.25575256347656	272.0
244.50465393066406	156.0
244.6696319580078	160.0
245.59823608398438	156.0
245.75421142578125	152.0
245.92897033691406	184.0
245.974853515625	132.0
246.1517791748047	164.0
247.1884307861328	200.0
247.72067260742188	200.0
248.099853515625	192.0
248.4479522705078	164.0
249.14488220214844	296.0
249.34597778320312	164.0
250.0473175048828	196.0
250.29916381835938	168.0
250.78431701660156	164.0
251.21945190429688	232.0
251.7054901123047	140.0
252.45758056640625	148.0
252.55877685546875	148.0
252.64419555664062	256.0
252.89100646972656	220.0
253.98031616210938	100.0
254.1386260986328	15072.0
254.2251434326172	164.0
254.43312072753906	108.0
254.50384521484375	156.0
254.6295928955078	164.0
255.1429901123047	1724.0
255.22164916992188	148.0
256.14141845703125	416.0
256.6778259277344	144.0
256.9489440917969	140.0
257.1199035644531	120.0
257.17230224609375	152.0
257.93890380859375	152.0
258.0444030761719	148.0
258.6073913574219	152.0
258.7937927246094	192.0
259.5588684082031	216.0
259.7256164550781	152.0
259.96624755859375	152.0
261.0038146972656	176.0
261.1485595703125	484.0
262.1511535644531	132.0
262.18841552734375	172.0
262.88177490234375	216.0
263.1755065917969	188.0
263.2723693847656	192.0
264.0867919921875	152.0
264.1648254394531	504.0
264.3100280761719	168.0
264.3682556152344	164.0
265.0866394042969	176.0
265.62213134765625	212.0
266.0374755859375	160.0
267.4580078125	144.0
267.76080322265625	168.0
267.91387939453125	152.0
268.174560546875	200.0
268.3408203125	172.0
268.4549255371094	172.0
268.8594665527344	192.0
269.71514892578125	208.0
270.04541015625	160.0
271.17822265625	172.0
271.8472595214844	240.0
272.7109680175781	152.0
272.88519287109375	164.0
272.94110107421875	184.0
272.975830078125	132.0
274.1458740234375	148.0
275.4425048828125	140.0
276.28546142578125	148.0
276.5891418457031	140.0
277.3347473144531	224.0
277.5759582519531	164.0
278.1378479003906	192.0
278.1741943359375	7000.0
278.2993469238281	172.0
278.4247741699219	192.0
278.8586120605469	148.0
279.17681884765625	948.0
279.69677734375	196.0
280.1810302734375	132.0
281.1813659667969	132.0
281.9781494140625	140.0
282.5611877441406	180.0
282.6804504394531	152.0
283.0921936035156	140.0
283.40704345703125	184.0
283.6818542480469	204.0
284.5406799316406	164.0
284.62127685546875	172.0
285.2159118652344	148.0
285.80780029296875	180.0
286.6563415527344	140.0
286.71026611328125	160.0
286.76416015625	160.0
287.3846435546875	256.0
287.941650390625	144.0
288.21527099609375	216.0
288.489013671875	176.0
288.64453125	148.0
288.8235168457031	104.0
289.043701171875	140.0
289.2806091308594	164.0
289.65985107421875	212.0
290.07666015625	200.0
290.13427734375	148.0
290.2054748535156	204.0
290.978515625	160.0
291.1734619140625	164.0
291.2507019042969	180.0
291.30419921875	132.0
291.47833251953125	184.0
292.14129638671875	208.0
292.2127380371094	140.0
292.4119567871094	132.0
292.6628112792969	168.0
292.84930419921875	212.0
292.88934326171875	96.0
293.0461120605469	104.0
293.3133239746094	184.0
293.3699035644531	200.0
293.4163513183594	176.0
293.59185791015625	100.0
293.63897705078125	116.0
293.7115478515625	136.0
293.8675537109375	188.0
293.9174499511719	160.0
293.9544677734375	232.0
294.1635437011719	112.0
294.20550537109375	176.0
294.2176208496094	112.0
294.2704162597656	136.0
294.3362731933594	136.0
294.36474609375	244.0
294.4495849609375	132.0
294.4949645996094	324.0
294.5485534667969	196.0
294.6065979003906	140.0
294.6708984375	212.0
294.7366027832031	124.0
294.81256103515625	192.0
294.9158020019531	180.0
294.9996643066406	260.0
295.0591125488281	176.0
295.13739013671875	104.0
295.1826477050781	176.0
295.23095703125	320.0
295.2705993652344	128.0
295.30078125	184.0
295.3481750488281	148.0
295.3868103027344	288.0
295.4231872558594	200.0
295.45843505859375	540.0
295.52947998046875	116.0
295.5624694824219	156.0
295.6015930175781	208.0
295.62200927734375	100.0
295.6556091308594	348.0
295.68243408203125	220.0
295.7113952636719	268.0
295.7685546875	168.0
295.8005065917969	152.0
295.8353576660156	292.0
295.8717346191406	172.0
295.9570007324219	224.0
296.0088806152344	248.0
296.0347595214844	232.0
296.0763244628906	556.0
296.1034240722656	264.0
296.1463623046875	848.0
296.18927001953125	239088.0
296.31488037109375	188.0
296.41156005859375	324.0
296.4244079589844	352.0
296.51531982421875	524.0
296.5622863769531	404.0
296.5986328125	416.0
296.6510314941406	196.0
296.7129211425781	1336.0
296.7518615722656	16520.0
296.786865234375	320.0
296.8360290527344	348.0
296.8747863769531	164.0
296.909423828125	284.0
296.9835205078125	308.0
297.0154724121094	296.0
297.06982421875	384.0
297.1148376464844	536.0
297.19036865234375	121444.0
297.2803955078125	96.0
297.31549072265625	232.0
297.3540344238281	208.0
297.3924865722656	316.0
297.4411926269531	160.0
297.5022888183594	96.0
297.5305480957031	160.0
297.56561279296875	372.0
297.60113525390625	312.0
297.6398010253906	164.0
297.6835021972656	312.0
297.7565612792969	100.0
297.7920837402344	308.0
297.8240661621094	132.0
297.9169616699219	180.0
297.94989013671875	244.0
298.0055236816406	148.0
298.0992126464844	164.0
298.12481689453125	248.0
298.1918029785156	13936.0
298.2750549316406	184.0
298.3693542480469	148.0
298.4297790527344	112.0
298.5099792480469	488.0
298.5816345214844	152.0
298.6120910644531	120.0
298.6512756347656	220.0
298.7015686035156	264.0
298.8045349121094	244.0
298.88671875	252.0
298.96331787109375	188.0
298.99090576171875	372.0
299.0497131347656	228.0
299.1184387207031	328.0
299.19635009765625	912.0
299.2459411621094	236.0
299.269775390625	328.0
299.3361511230469	232.0
299.3738098144531	368.0
299.4259948730469	284.0
299.464111328125	188.0
299.634765625	220.0
299.65997314453125	108.0
299.7780456542969	116.0
300.0337219238281	168.0
300.10589599609375	132.0
300.1344299316406	196.0
300.3463134765625	100.0
300.4216003417969	116.0
300.49725341796875	160.0
300.6786804199219	208.0
301.2972412109375	120.0
301.5562744140625	108.0
301.9906005859375	120.0
302.5382080078125	144.0
308.6318054199219	140.0
309.4551086425781	144.0
310.23529052734375	144.0
310.44793701171875	104.0
312.13970947265625	132.0
313.0550842285156	116.0
315.369384765625	112.0
322.5189208984375	180.0
326.7915954589844	152.0
327.2830810546875	140.0
338.3669738769531	120.0
365.59130859375	184.0
370.5015869140625	148.0
395.500732421875	144.0
407.70703125	112.0
417.26092529296875	148.0
569.3190307617188	188.0
714.5621948242188	140.0
750.2383422851562	140.0
759.869140625	140.0
1083.4639892578125	168.0
1121.341064453125	160.0
1145.6309814453125	176.0
1270.2821044921875	192.0
1289.1138916015625	192.0
1305.0987548828125	256.0
1341.435546875	272.0
1349.8096923828125	208.0
1350.5849609375	168.0
1356.222900390625	196.0
1368.91796875	140.0
1369.4630126953125	236.0
1379.431640625	216.0
1384.0185546875	196.0
1385.52197265625	144.0
1388.064208984375	152.0
1391.35107421875	156.0
1407.2762451171875	164.0
1407.7093505859375	144.0
1409.1209716796875	180.0
1410.0177001953125	164.0
1410.3690185546875	156.0
1436.0174560546875	164.0
1436.9754638671875	188.0
1440.3197021484375	176.0
1446.2628173828125	168.0
1447.2393798828125	208.0
1449.049560546875	160.0
1460.0712890625	160.0
1465.7425537109375	152.0
1473.42578125	156.0
1481.1903076171875	228.0
1485.3756103515625	152.0
1498.5445556640625	180.0
1504.1510009765625	140.0
1512.9403076171875	208.0
1522.2366943359375	152.0
1529.0	160.0
1531.6861572265625	188.0
1537.7054443359375	168.0
1540.203857421875	148.0
1543.1343994140625	144.0
1548.85498046875	160.0
1552.80517578125	248.0
1562.8524169921875	168.0
1567.0709228515625	176.0
1596.40576171875	164.0
1613.910400390625	196.0
1614.3101806640625	164.0
1614.398193359375	148.0
1621.9000244140625	156.0
1622.7176513671875	164.0
1631.798095703125	156.0
1631.9910888671875	144.0
1635.8446044921875	236.0
1639.323974609375	156.0
1648.41845703125	168.0
1654.1282958984375	156.0
1659.6697998046875	220.0
1661.0484619140625	144.0
1675.3392333984375	148.0
1675.7303466796875	164.0
1676.2926025390625	156.0
1678.0938720703125	144.0
1678.411865234375	196.0
1682.107666015625	180.0
1684.5166015625	168.0
1689.3968505859375	140.0
1694.636474609375	140.0
1699.3426513671875	184.0
1705.690673828125	172.0
1709.2188720703125	176.0
1713.154296875	152.0
1716.57470703125	176.0
1721.154296875	156.0
1723.1282958984375	196.0
1726.649658203125	156.0
1730.2242431640625	260.0
1731.590576171875	180.0
1732.3138427734375	144.0
1735.47705078125	272.0
1743.2713623046875	152.0
1748.42724609375	196.0
1754.0826416015625	240.0
1755.92529296875	196.0
1760.2064208984375	164.0
1766.591796875	172.0
1768.6502685546875	184.0
1771.4134521484375	160.0
1778.666748046875	180.0
1779.3887939453125	140.0
1783.3536376953125	180.0
1785.30419921875	180.0
1794.726806640625	156.0
1805.0283203125	252.0
1807.5997314453125	168.0
1808.68310546875	196.0
1810.494873046875	220.0
1811.2740478515625	148.0
1820.544189453125	160.0
1826.2723388671875	220.0
1836.92822265625	208.0
1837.892333984375	168.0
1842.61376953125	188.0
1844.1690673828125	228.0
1845.4512939453125	232.0
1846.8880615234375	152.0
1852.34912109375	220.0
1854.962646484375	140.0
1859.1224365234375	144.0
1864.3695068359375	160.0
1865.959716796875	240.0
1866.3121337890625	188.0
1868.0150146484375	304.0
1878.5416259765625	188.0
1882.1837158203125	148.0
1885.3021240234375	172.0
1896.1026611328125	180.0
1896.3885498046875	180.0
1897.54150390625	148.0
1898.2091064453125	172.0
1902.7122802734375	144.0
1912.6571044921875	184.0
1915.0340576171875	200.0
1915.8790283203125	236.0
1916.419189453125	264.0
1930.2103271484375	328.0
1930.7349853515625	200.0
1932.545654296875	184.0
1933.61328125	160.0
1933.70947265625	232.0
1934.6549072265625	192.0
1935.3465576171875	192.0
1937.606201171875	164.0
1943.0767822265625	160.0
1947.04443359375	188.0
1947.225830078125	164.0
1948.78369140625	172.0
1949.337158203125	172.0
1955.1763916015625	176.0
1955.3787841796875	272.0
1956.840087890625	256.0
1958.275390625	164.0
1959.35888671875	200.0
1961.2535400390625	140.0
1965.29248046875	176.0
1966.077880859375	180.0
1966.439697265625	148.0
1968.5142822265625	164.0
1969.49462890625	144.0
1969.7066650390625	208.0
1970.853271484375	240.0
1971.0848388671875	176.0
1971.24755859375	300.0
1972.9320068359375	144.0
1975.1251220703125	156.0
1979.072021484375	148.0
1980.2498779296875	152.0
1984.698486328125	168.0
1987.3504638671875	152.0
1987.4658203125	172.0
1989.2408447265625	160.0
1989.8089599609375	140.0
1991.7803955078125	208.0
1993.9927978515625	212.0
1997.5048828125	204.0
1998.3499755859375	176.0
1999.8538818359375	180.0
2001.563232421875	156.0
2002.5428466796875	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078948
PEPMASS=349.138153
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_E2_F11_BC2_01_15715.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TORASEMIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2
INCHI=InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
INCHIAUX=NGBFQHCMQULJNZ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078948
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078948
SCANS=1124
44.932926177978516	188.0
45.062923431396484	184.0
45.0985107421875	176.0
45.1907844543457	140.0
45.24967575073242	184.0
45.267333984375	212.0
45.28315353393555	148.0
45.30808639526367	152.0
45.38615798950195	176.0
45.88703155517578	156.0
45.91752624511719	156.0
46.101131439208984	192.0
46.59766387939453	172.0
46.65361404418945	144.0
46.72214126586914	144.0
46.78610610961914	152.0
46.9073486328125	176.0
47.28432846069336	148.0
47.30622863769531	140.0
47.6096076965332	184.0
47.802669525146484	200.0
48.12562942504883	144.0
48.19163513183594	416.0
48.3426513671875	208.0
48.3717155456543	176.0
48.425716400146484	180.0
48.55322265625	168.0
48.6212043762207	168.0
48.71562194824219	156.0
48.767032623291016	152.0
48.87828826904297	184.0
49.057884216308594	156.0
49.15140151977539	140.0
49.198856353759766	148.0
49.388572692871094	204.0
49.52275848388672	160.0
49.680267333984375	232.0
49.783226013183594	124.0
49.94294738769531	172.0
49.95279312133789	144.0
49.966861724853516	168.0
49.99641036987305	156.0
50.03160095214844	140.0
50.365806579589844	168.0
50.730892181396484	140.0
50.78447341918945	168.0
50.87275314331055	216.0
50.89120864868164	180.0
51.07453536987305	236.0
51.21421432495117	152.0
51.35227966308594	140.0
51.47300720214844	188.0
51.51598358154297	152.0
51.59932327270508	208.0
51.656524658203125	192.0
51.782962799072266	216.0
51.845523834228516	180.0
51.8655891418457	144.0
51.88135528564453	160.0
52.131103515625	140.0
52.443599700927734	120.0
52.63388442993164	124.0
52.75953674316406	148.0
52.853546142578125	148.0
53.00993347167969	208.0
53.0244255065918	192.0
53.05196762084961	144.0
53.09635925292969	212.0
53.205745697021484	160.0
53.226070404052734	164.0
53.419368743896484	160.0
53.43391799926758	160.0
53.78977584838867	168.0
53.99915313720703	140.0
54.17702102661133	152.0
54.231239318847656	148.0
54.32801818847656	156.0
54.36693572998047	132.0
54.407264709472656	316.0
54.457191467285156	252.0
54.5262451171875	160.0
54.714630126953125	112.0
54.816158294677734	140.0
54.827945709228516	148.0
54.8928108215332	168.0
55.02265167236328	164.0
55.099449157714844	148.0
55.1304817199707	108.0
55.183692932128906	140.0
55.2132682800293	196.0
55.33183288574219	104.0
55.36697006225586	168.0
55.39828872680664	228.0
55.456077575683594	148.0
55.55097579956055	156.0
55.800472259521484	216.0
55.94257354736328	168.0
55.97455596923828	144.0
56.22072982788086	172.0
56.24291229248047	156.0
56.41020965576172	156.0
56.51789093017578	156.0
56.548500061035156	168.0
56.89558410644531	176.0
56.97367858886719	192.0
57.013553619384766	108.0
57.286582946777344	140.0
57.36343765258789	188.0
57.64113998413086	164.0
57.7031135559082	204.0
57.71974563598633	156.0
57.902854919433594	148.0
58.175785064697266	148.0
58.22437286376953	160.0
58.26690673828125	272.0
58.72662353515625	188.0
59.081298828125	128.0
59.13303756713867	168.0
59.59782791137695	228.0
59.68069076538086	160.0
59.69914627075195	188.0
59.92084503173828	128.0
59.93394088745117	128.0
60.07804870605469	160.0
60.1755256652832	148.0
60.33131408691406	224.0
60.400901794433594	176.0
60.42101287841797	176.0
60.44267272949219	160.0
60.56625747680664	172.0
60.97303009033203	152.0
61.20481491088867	152.0
61.424560546875	180.0
61.61619567871094	148.0
61.64227294921875	108.0
61.7963752746582	188.0
61.87932586669922	212.0
61.992103576660156	172.0
62.22895812988281	196.0
62.515037536621094	144.0
62.5307731628418	152.0
62.577999114990234	200.0
62.784423828125	188.0
62.90907287597656	152.0
63.11445999145508	144.0
63.23468780517578	208.0
63.364532470703125	376.0
63.5072021484375	192.0
63.66591262817383	188.0
63.68338394165039	208.0
63.735809326171875	148.0
63.77662658691406	156.0
63.8387336730957	160.0
63.94890594482422	140.0
64.52476501464844	164.0
64.63192749023438	200.0
65.08876037597656	304.0
65.26872253417969	260.0
65.28641510009766	160.0
65.40225219726562	160.0
65.57298278808594	144.0
65.67939758300781	164.0
65.7212905883789	136.0
65.74392700195312	180.0
65.890869140625	148.0
65.93287658691406	168.0
66.1690444946289	176.0
66.56304168701172	148.0
66.8572769165039	152.0
67.00079345703125	144.0
67.03641510009766	156.0
67.21568298339844	124.0
67.24826049804688	160.0
67.41500854492188	160.0
67.62997436523438	164.0
67.72257995605469	140.0
67.7979507446289	184.0
67.89466857910156	140.0
68.12938690185547	152.0
68.33818817138672	156.0
68.37109375	176.0
68.38591003417969	172.0
68.42706298828125	152.0
68.46328735351562	172.0
68.76004028320312	172.0
68.8574447631836	140.0
68.91974639892578	168.0
69.18153381347656	208.0
69.22457885742188	144.0
69.35891723632812	140.0
69.4068603515625	164.0
69.4516372680664	144.0
69.84196472167969	184.0
69.86858367919922	156.0
70.1850357055664	144.0
70.32183074951172	144.0
70.40196228027344	168.0
70.47713470458984	176.0
70.63428497314453	172.0
70.79998016357422	360.0
71.00109100341797	176.0
71.12020874023438	224.0
71.1319580078125	232.0
71.23775482177734	140.0
71.40079498291016	144.0
71.74068450927734	116.0
72.03285217285156	160.0
72.245849609375	152.0
72.54559326171875	152.0
72.55915832519531	176.0
72.57950592041016	228.0
72.65801239013672	152.0
72.94111633300781	180.0
73.01252746582031	196.0
73.35677337646484	220.0
73.41008758544922	180.0
73.49874877929688	140.0
73.60214233398438	164.0
73.65508270263672	196.0
73.77128601074219	192.0
73.93890380859375	144.0
74.0861587524414	212.0
74.4237060546875	168.0
74.62098693847656	120.0
74.76438903808594	196.0
74.97449493408203	160.0
75.15555572509766	184.0
75.36102294921875	148.0
75.55985260009766	192.0
75.61383056640625	164.0
75.66542053222656	148.0
75.83040618896484	164.0
75.88892364501953	176.0
75.91493225097656	180.0
75.93310546875	108.0
76.25867462158203	148.0
76.55989074707031	148.0
76.80191802978516	152.0
76.82284545898438	220.0
76.9083480834961	172.0
76.9232406616211	144.0
76.96078491210938	112.0
77.05154418945312	164.0
77.1616439819336	156.0
77.24827575683594	120.0
77.42236328125	148.0
77.46790313720703	144.0
77.64493560791016	200.0
77.66072082519531	148.0
77.76940155029297	140.0
77.7835464477539	156.0
77.8204116821289	184.0
77.89768981933594	152.0
77.9684066772461	208.0
78.15260314941406	168.0
78.30223846435547	248.0
78.41146850585938	164.0
78.51371765136719	176.0
78.6009750366211	164.0
78.86682891845703	152.0
78.90748596191406	240.0
78.92870330810547	280.0
78.96407318115234	208.0
79.05960845947266	252.0
79.65534210205078	160.0
79.67132568359375	228.0
79.87229919433594	144.0
80.01456451416016	192.0
80.11251068115234	164.0
80.26400756835938	156.0
80.59422302246094	188.0
80.66357421875	144.0
80.8162612915039	152.0
80.9161605834961	224.0
80.97346496582031	140.0
81.09709167480469	176.0
81.19694519042969	184.0
81.35539245605469	152.0
81.63208770751953	184.0
81.68064880371094	144.0
81.76881408691406	208.0
81.8192138671875	176.0
81.89501953125	164.0
81.97591400146484	208.0
82.02637481689453	212.0
82.3240737915039	144.0
82.43245697021484	212.0
82.5409164428711	168.0
82.62411499023438	168.0
82.66211700439453	156.0
82.7019271850586	148.0
82.89027404785156	192.0
82.95733642578125	156.0
83.04357147216797	352.0
83.13508605957031	148.0
83.18953704833984	184.0
83.79148864746094	148.0
84.05769348144531	144.0
84.10149383544922	144.0
84.27154541015625	132.0
84.40658569335938	144.0
84.44132995605469	184.0
84.49433898925781	172.0
84.5126724243164	144.0
84.5631103515625	216.0
84.74887084960938	184.0
84.98182678222656	152.0
85.11388397216797	172.0
85.1671371459961	172.0
85.30780029296875	184.0
85.44660949707031	144.0
85.47415924072266	180.0
85.58643341064453	152.0
85.66747283935547	148.0
85.76513671875	192.0
85.89604949951172	168.0
86.01414489746094	164.0
86.2117691040039	176.0
86.3691177368164	156.0
86.51406860351562	200.0
86.6191177368164	168.0
86.93585205078125	144.0
86.95812225341797	168.0
86.99153137207031	164.0
87.0286636352539	140.0
87.43124389648438	208.0
88.07154083251953	196.0
88.19673156738281	136.0
88.222900390625	168.0
88.77711486816406	184.0
88.80149841308594	188.0
89.0267105102539	144.0
89.20377349853516	232.0
89.32178497314453	164.0
89.80020904541016	192.0
89.88321685791016	144.0
89.93982696533203	156.0
90.01275634765625	172.0
90.15325164794922	152.0
90.2212905883789	156.0
90.34989166259766	160.0
90.40287017822266	156.0
90.75330352783203	200.0
90.7893295288086	192.0
90.81398010253906	168.0
90.9316177368164	164.0
91.05493927001953	144.0
91.15000915527344	148.0
91.24124145507812	176.0
91.2925796508789	156.0
91.69364929199219	160.0
91.85061645507812	168.0
91.91929626464844	164.0
91.94828796386719	148.0
92.17899322509766	152.0
92.26118469238281	188.0
92.27647399902344	164.0
92.55582427978516	252.0
92.95452880859375	144.0
93.07353973388672	204.0
93.18685913085938	208.0
93.30794525146484	144.0
93.8172607421875	244.0
94.06564331054688	308.0
94.234375	204.0
94.44673919677734	148.0
94.64115142822266	144.0
94.67987823486328	160.0
94.72123718261719	168.0
94.90660095214844	156.0
94.97504425048828	204.0
95.02491760253906	152.0
95.18795776367188	156.0
95.23651123046875	140.0
95.6545639038086	148.0
95.67208099365234	140.0
95.7830810546875	204.0
95.91947937011719	140.0
95.98381805419922	172.0
96.04232788085938	156.0
96.19452667236328	196.0
96.25191497802734	164.0
96.28756713867188	196.0
96.38592529296875	144.0
96.8182373046875	152.0
96.83390808105469	164.0
96.91814422607422	180.0
97.0663833618164	140.0
97.16126251220703	200.0
97.28292846679688	164.0
97.39485931396484	168.0
97.4184341430664	144.0
97.67273712158203	136.0
97.75660705566406	140.0
98.00669860839844	544.0
98.12297058105469	156.0
98.24129486083984	208.0
98.42286682128906	172.0
98.8399429321289	128.0
98.95869445800781	212.0
99.20039367675781	188.0
99.27335357666016	188.0
99.3253173828125	164.0
99.38195037841797	168.0
99.46421813964844	228.0
99.71050262451172	196.0
99.76815032958984	140.0
99.85365295410156	140.0
100.14423370361328	148.0
100.2538070678711	248.0
100.32755279541016	172.0
100.48482513427734	140.0
100.86715698242188	180.0
100.92051696777344	200.0
101.47110748291016	168.0
101.4931640625	308.0
101.66767883300781	140.0
101.95084381103516	156.0
102.01618957519531	148.0
102.13221740722656	168.0
102.2947769165039	140.0
102.35114288330078	172.0
102.4296875	144.0
102.60702514648438	164.0
102.86524963378906	140.0
102.89956665039062	156.0
103.12379455566406	148.0
103.15999603271484	136.0
103.54461669921875	140.0
103.93585968017578	144.0
103.9534683227539	136.0
104.19110107421875	180.0
104.23455810546875	156.0
104.43968200683594	208.0
104.60450744628906	164.0
104.9243392944336	144.0
105.12300872802734	228.0
105.1806411743164	236.0
105.24874114990234	152.0
105.39376831054688	148.0
105.44450378417969	140.0
105.51026153564453	264.0
105.65546417236328	152.0
105.71971130371094	100.0
105.86628723144531	140.0
105.89495849609375	184.0
105.9953384399414	144.0
106.29266357421875	196.0
106.6335678100586	164.0
106.9317855834961	140.0
106.95442199707031	184.0
106.97089385986328	160.0
106.98530578613281	140.0
107.28401184082031	172.0
107.3443832397461	172.0
107.51084899902344	156.0
107.9278793334961	200.0
107.96539306640625	164.0
108.16401672363281	148.0
108.21576690673828	140.0
108.3213882446289	192.0
108.41669464111328	148.0
108.74437713623047	220.0
108.777587890625	260.0
108.90009307861328	148.0
109.21454620361328	152.0
109.36368560791016	128.0
109.43694305419922	148.0
109.56990814208984	172.0
109.65116882324219	172.0
109.66576385498047	172.0
109.78073120117188	136.0
109.99114990234375	192.0
110.21878814697266	144.0
110.25587463378906	192.0
110.27729797363281	152.0
110.37384796142578	132.0
110.85072326660156	164.0
110.95368957519531	188.0
111.2880630493164	128.0
111.3038101196289	144.0
111.48854064941406	192.0
111.51388549804688	168.0
111.83428192138672	180.0
111.86630249023438	184.0
112.06852722167969	120.0
112.51234436035156	148.0
112.68854522705078	204.0
112.87152862548828	140.0
112.94131469726562	164.0
112.97799682617188	164.0
113.04286193847656	220.0
113.14869689941406	160.0
113.1846923828125	188.0
113.2511215209961	108.0
113.28846740722656	152.0
113.34779357910156	152.0
113.69769287109375	184.0
113.87734985351562	180.0
113.92833709716797	148.0
113.96524810791016	240.0
114.05237579345703	160.0
114.0833969116211	180.0
114.32068634033203	180.0
114.39698028564453	232.0
114.60994720458984	184.0
114.89564514160156	184.0
115.17742919921875	156.0
115.26929473876953	180.0
115.36357116699219	144.0
115.62000274658203	180.0
115.65666961669922	180.0
115.9626693725586	172.0
116.04960632324219	180.0
116.14706420898438	164.0
116.1917495727539	140.0
116.59794616699219	152.0
116.75273132324219	148.0
116.80272674560547	132.0
117.05829620361328	496.0
117.17462158203125	296.0
117.20053100585938	156.0
117.24107360839844	100.0
117.30608367919922	348.0
117.32979583740234	172.0
117.78401184082031	148.0
118.05960845947266	192.0
118.1872329711914	208.0
118.3493881225586	220.0
118.6052017211914	160.0
118.63648986816406	152.0
118.72010803222656	160.0
118.7981948852539	184.0
118.84342956542969	136.0
119.05638885498047	188.0
119.26940155029297	140.0
119.3367919921875	204.0
119.35853576660156	200.0
119.59164428710938	132.0
119.67839050292969	144.0
119.90275573730469	140.0
120.00957489013672	144.0
120.04353332519531	356.0
120.87235260009766	180.0
121.26663970947266	184.0
121.40247344970703	148.0
121.54724884033203	152.0
121.58235931396484	176.0
121.77555847167969	200.0
121.83486938476562	148.0
121.8502426147461	164.0
121.9117660522461	228.0
122.0607681274414	4320.0
122.1391372680664	144.0
122.1888198852539	156.0
122.21890258789062	140.0
122.32819366455078	168.0
122.413330078125	188.0
122.45076751708984	156.0
122.92032623291016	176.0
122.93577575683594	144.0
122.95122528076172	176.0
123.06461334228516	172.0
123.45048522949219	152.0
123.59648132324219	148.0
123.75141906738281	140.0
123.84221649169922	204.0
123.96849060058594	188.0
124.0150375366211	144.0
124.06449127197266	180.0
124.3188705444336	144.0
124.39433288574219	164.0
124.48980712890625	168.0
124.65419006347656	212.0
124.6986312866211	152.0
124.74308776855469	156.0
124.80756378173828	164.0
124.90750122070312	252.0
124.92700958251953	384.0
125.01761627197266	21044.0
125.0711441040039	108.0
125.14850616455078	156.0
125.28607177734375	220.0
125.31280517578125	136.0
125.38525390625	96.0
125.7168960571289	144.0
125.85004425048828	188.0
125.90392303466797	140.0
125.93782043457031	156.0
126.0009536743164	916.0
126.02218627929688	1320.0
126.1474609375	144.0
126.24584197998047	248.0
126.61128997802734	160.0
126.72261810302734	156.0
126.94611358642578	124.0
127.01124572753906	1188.0
127.03217315673828	296.0
127.05442810058594	176.0
127.321533203125	168.0
127.74610900878906	116.0
127.84759521484375	216.0
128.0181884765625	720.0
128.06134033203125	272.0
128.13731384277344	308.0
128.18312072753906	148.0
128.2958221435547	144.0
128.35946655273438	176.0
128.52597045898438	172.0
128.6342010498047	276.0
128.81936645507812	140.0
128.8984375	152.0
129.00355529785156	252.0
129.0690155029297	704.0
129.2014617919922	184.0
129.41415405273438	140.0
129.7305450439453	196.0
129.75173950195312	168.0
129.85830688476562	148.0
130.075439453125	352.0
130.10447692871094	184.0
130.36685180664062	140.0
130.40548706054688	148.0
130.4684600830078	176.0
130.53192138671875	136.0
130.6508026123047	180.0
130.80984497070312	188.0
130.871826171875	204.0
130.9538116455078	164.0
131.37777709960938	176.0
131.66995239257812	168.0
131.8332977294922	164.0
131.9647216796875	228.0
132.3994903564453	156.0
132.55755615234375	192.0
132.60797119140625	144.0
132.8097381591797	152.0
133.09890747070312	200.0
133.169921875	164.0
133.30563354492188	172.0
133.5033416748047	256.0
133.59303283691406	144.0
134.0415802001953	112.0
134.06178283691406	160.0
134.0880889892578	200.0
134.18260192871094	164.0
134.31173706054688	160.0
134.439697265625	208.0
134.47332763671875	124.0
134.71337890625	168.0
134.83584594726562	140.0
134.85525512695312	180.0
135.05885314941406	140.0
135.17347717285156	188.0
135.2591094970703	208.0
135.46519470214844	168.0
135.62408447265625	140.0
135.9521026611328	164.0
136.0077667236328	160.0
136.0297088623047	196.0
136.18194580078125	140.0
136.36422729492188	140.0
136.50640869140625	172.0
136.5793914794922	156.0
136.6838836669922	224.0
136.76553344726562	176.0
137.0166015625	4352.0
137.13819885253906	172.0
137.23377990722656	148.0
137.25010681152344	144.0
137.320068359375	244.0
137.42970275878906	184.0
137.61875915527344	168.0
137.73171997070312	152.0
137.86402893066406	140.0
138.0209503173828	284.0
138.1165313720703	172.0
138.45217895507812	196.0
138.48220825195312	104.0
138.54257202148438	168.0
138.5659942626953	144.0
138.59410095214844	244.0
138.70233154296875	156.0
138.8500213623047	164.0
138.94580078125	184.0
139.01454162597656	632.0
139.26014709472656	196.0
139.44960021972656	116.0
139.55409240722656	168.0
139.6105194091797	152.0
139.79400634765625	140.0
139.9258270263672	184.0
139.97384643554688	232.0
140.04945373535156	740.0
140.18020629882812	200.0
140.2367706298828	140.0
140.2980499267578	184.0
140.3805694580078	144.0
140.59202575683594	152.0
140.6330108642578	216.0
140.67837524414062	128.0
140.71090698242188	196.0
141.0567169189453	860.0
141.0889129638672	184.0
141.1394500732422	128.0
141.27810668945312	160.0
141.43191528320312	140.0
142.06410217285156	124.0
142.0930633544922	176.0
142.11441040039062	160.0
142.13339233398438	168.0
142.26304626464844	160.0
142.29954528808594	148.0
142.57318115234375	160.0
142.77322387695312	116.0
142.82948303222656	140.0
142.95558166503906	220.0
143.065673828125	156.0
143.16268920898438	176.0
143.42713928222656	168.0
143.50819396972656	148.0
143.6368408203125	136.0
143.73240661621094	168.0
144.0764617919922	280.0
144.16961669921875	184.0
144.34584045410156	128.0
144.64056396484375	156.0
144.70040893554688	148.0
144.875244140625	220.0
145.01901245117188	272.0
145.0674285888672	140.0
145.1796417236328	176.0
145.20675659179688	196.0
145.46896362304688	164.0
145.50357055664062	160.0
145.56838989257812	160.0
145.81524658203125	196.0
146.00674438476562	152.0
146.05996704101562	312.0
146.1188201904297	204.0
146.14047241210938	164.0
146.50160217285156	176.0
146.54864501953125	204.0
146.6640625	104.0
147.05136108398438	152.0
147.22518920898438	140.0
147.47402954101562	164.0
147.49095153808594	152.0
147.51512145996094	148.0
147.64810180664062	180.0
147.86827087402344	184.0
147.90699768066406	140.0
148.25701904296875	200.0
148.302978515625	212.0
148.34300231933594	148.0
148.47393798828125	148.0
148.6243438720703	176.0
148.6486053466797	156.0
148.83847045898438	216.0
148.86801147460938	120.0
148.970458984375	108.0
149.00668334960938	160.0
149.0978546142578	188.0
149.12216186523438	212.0
149.35072326660156	148.0
149.77667236328125	224.0
149.94723510742188	160.0
150.02378845214844	572.0
150.03323364257812	112.0
150.04132080078125	496.0
150.47943115234375	136.0
150.52783203125	152.0
150.9432373046875	168.0
151.02639770507812	296.0
151.36656188964844	160.0
151.41554260253906	140.0
151.43637084960938	156.0
151.68638610839844	192.0
151.7267303466797	164.0
151.81256103515625	176.0
151.85670471191406	184.0
151.95481872558594	164.0
151.99981689453125	280.0
152.0182342529297	488.0
152.05787658691406	152.0
152.2518310546875	196.0
152.41641235351562	216.0
152.76368713378906	128.0
152.94175720214844	200.0
153.01075744628906	1924.0
153.1027374267578	200.0
153.7659149169922	228.0
154.0205841064453	176.0
154.0630340576172	524.0
154.35385131835938	168.0
154.3785858154297	296.0
154.5072021484375	160.0
154.71974182128906	148.0
154.8141326904297	204.0
154.90328979492188	140.0
154.9223175048828	224.0
154.97512817382812	168.0
155.0084228515625	252.0
155.06771850585938	404.0
155.31724548339844	200.0
155.35693359375	176.0
155.4859619140625	240.0
155.93548583984375	152.0
156.07992553710938	2424.0
156.18385314941406	184.0
156.24879455566406	152.0
156.2801971435547	112.0
156.65162658691406	152.0
156.6853790283203	144.0
156.821533203125	184.0
156.99505615234375	132.0
157.04100036621094	148.0
157.08155822753906	144.0
157.1781463623047	168.0
157.21482849121094	200.0
157.41278076171875	200.0
157.71507263183594	196.0
157.82257080078125	216.0
158.0801239013672	212.0
158.18783569335938	152.0
158.21788024902344	148.0
158.4582977294922	140.0
158.59613037109375	148.0
158.62384033203125	152.0
158.66368103027344	152.0
158.86741638183594	168.0
159.08897399902344	140.0
159.3543243408203	148.0
159.69586181640625	200.0
159.8795166015625	140.0
159.96762084960938	152.0
160.21824645996094	140.0
160.34681701660156	180.0
160.61016845703125	176.0
160.8311309814453	176.0
160.91551208496094	172.0
161.0165252685547	144.0
161.14706420898438	236.0
161.25653076171875	164.0
161.35006713867188	164.0
161.84693908691406	132.0
161.88900756835938	140.0
161.9725799560547	152.0
162.05508422851562	624.0
162.1310577392578	176.0
162.4136199951172	144.0
162.62930297851562	144.0
163.04090881347656	232.0
163.11952209472656	188.0
163.19833374023438	172.0
163.44252014160156	152.0
163.70216369628906	148.0
163.86007690429688	172.0
163.88555908203125	148.0
163.91104125976562	160.0
163.9288787841797	164.0
163.98239135742188	176.0
164.02078247070312	332.0
164.05259704589844	244.0
164.31643676757812	172.0
164.33743286132812	144.0
164.6482696533203	148.0
164.83474731445312	188.0
164.99066162109375	180.0
165.02188110351562	288.0
165.05026245117188	196.0
165.2208251953125	292.0
165.2617645263672	216.0
165.4199981689453	164.0
165.45372009277344	204.0
165.54844665527344	172.0
165.82513427734375	344.0
165.9347686767578	120.0
165.98939514160156	168.0
166.0323944091797	324.0
166.0587158203125	264.0
166.22482299804688	136.0
166.3685760498047	148.0
166.86990356445312	144.0
166.90589904785156	148.0
167.06150817871094	1580.0
167.14254760742188	160.0
167.4514617919922	188.0
167.51585388183594	208.0
167.69107055664062	276.0
167.73487854003906	140.0
167.92352294921875	148.0
167.99533081054688	156.0
168.03903198242188	204.0
168.06912231445312	54224.0
168.28269958496094	96.0
168.3307342529297	172.0
168.61856079101562	144.0
168.82373046875	148.0
168.96420288085938	188.0
169.07217407226562	7424.0
169.1400604248047	212.0
169.20945739746094	104.0
169.34979248046875	196.0
169.4300994873047	156.0
169.8828582763672	172.0
170.07916259765625	928.0
170.1199188232422	176.0
170.17041015625	168.0
170.45252990722656	164.0
170.52606201171875	100.0
170.7331085205078	232.0
170.86952209472656	164.0
170.9716339111328	152.0
171.01148986816406	176.0
171.05287170410156	164.0
171.0911102294922	1300.0
171.1338348388672	140.0
171.44468688964844	204.0
172.0672149658203	304.0
172.09449768066406	416.0
172.96910095214844	208.0
173.02162170410156	132.0
173.07382202148438	160.0
173.10592651367188	124.0
173.53758239746094	240.0
173.68707275390625	160.0
173.79302978515625	204.0
174.0343017578125	136.0
174.06761169433594	168.0
174.09756469726562	280.0
174.2041778564453	172.0
174.95892333984375	144.0
175.00718688964844	184.0
175.03329467773438	328.0
175.0834503173828	292.0
175.77554321289062	132.0
176.04183959960938	776.0
176.3252716064453	160.0
176.34376525878906	152.0
176.48651123046875	152.0
176.6516876220703	168.0
176.69281005859375	180.0
176.81982421875	184.0
177.01251220703125	252.0
177.0437774658203	732.0
177.08457946777344	176.0
177.1481475830078	144.0
177.36595153808594	124.0
177.7001495361328	168.0
178.0313720703125	588.0
178.3050079345703	200.0
178.37411499023438	144.0
178.39483642578125	136.0
178.54428100585938	200.0
178.56642150878906	116.0
178.58682250976562	204.0
178.62937927246094	184.0
178.6666259765625	140.0
178.71273803710938	136.0
178.95938110351562	152.0
179.03285217285156	336.0
179.09120178222656	104.0
179.55361938476562	148.0
179.959228515625	128.0
179.9939422607422	176.0
180.12062072753906	240.0
180.59559631347656	148.0
181.07618713378906	4256.0
181.22433471679688	184.0
181.31275939941406	172.0
181.40753173828125	100.0
181.4613800048828	180.0
181.51736450195312	148.0
181.5870819091797	136.0
181.62913513183594	160.0
181.8175811767578	168.0
181.87062072753906	164.0
181.96456909179688	144.0
181.99411010742188	184.0
182.04107666015625	140.0
182.08447265625	18248.0
182.18020629882812	124.0
182.25076293945312	108.0
182.29249572753906	144.0
182.34544372558594	188.0
182.4857940673828	124.0
182.56192016601562	168.0
182.6019744873047	200.0
182.6544952392578	164.0
182.72889709472656	164.0
182.7644805908203	208.0
182.80764770507812	140.0
182.84893798828125	160.0
182.88571166992188	156.0
182.90731811523438	320.0
182.98541259765625	120.0
183.0404510498047	116.0
183.0598602294922	284.0
183.0930633544922	189664.0
183.16339111328125	268.0
183.2134246826172	144.0
183.24411010742188	120.0
183.264404296875	308.0
183.30836486816406	260.0
183.32949829101562	172.0
183.34600830078125	176.0
183.38162231445312	128.0
183.47206115722656	140.0
183.53549194335938	920.0
183.57095336914062	156.0
183.59645080566406	232.0
183.62196350097656	108.0
183.6555633544922	104.0
183.68399047851562	532.0
183.70767211914062	108.0
183.81866455078125	188.0
183.9871826171875	104.0
184.0189971923828	284.0
184.06338500976562	892.0
184.09536743164062	25096.0
184.1588897705078	176.0
184.52049255371094	276.0
184.58787536621094	180.0
184.97410583496094	156.0
185.03260803222656	148.0
185.0707550048828	4180.0
185.09591674804688	1312.0
185.17662048339844	104.0
185.21189880371094	124.0
185.25277709960938	108.0
185.28416442871094	144.0
185.3690948486328	140.0
185.4042205810547	132.0
185.43333435058594	256.0
185.46310424804688	108.0
185.55075073242188	108.0
185.6352081298828	172.0
185.6839141845703	212.0
186.0455322265625	240.0
186.0796356201172	1036.0
186.10997009277344	184.0
186.23751831054688	132.0
186.45947265625	160.0
186.5378875732422	160.0
186.58995056152344	200.0
186.73777770996094	148.0
187.00341796875	220.0
187.0303955078125	272.0
187.08621215820312	188.0
188.01181030273438	236.0
188.06365966796875	140.0
188.0867919921875	152.0
188.21653747558594	156.0
188.26239013671875	152.0
188.53887939453125	164.0
188.60174560546875	160.0
188.6473388671875	188.0
188.86422729492188	156.0
188.91152954101562	124.0
189.0489501953125	132.0
189.27879333496094	188.0
189.5267333984375	196.0
189.6993865966797	148.0
189.77890014648438	156.0
189.9105224609375	140.0
190.01858520507812	216.0
190.05145263671875	432.0
190.20411682128906	216.0
190.2315673828125	148.0
190.3286590576172	164.0
191.02862548828125	300.0
191.06431579589844	9164.0
191.13243103027344	184.0
191.40493774414062	160.0
191.67822265625	148.0
191.8463592529297	144.0
192.06639099121094	992.0
192.1842041015625	144.0
192.2462921142578	164.0
192.39532470703125	148.0
192.42762756347656	132.0
192.53396606445312	96.0
192.79031372070312	148.0
192.82623291015625	152.0
193.01974487304688	140.0
193.06179809570312	848.0
193.1580352783203	152.0
193.22718811035156	140.0
193.64517211914062	180.0
193.77259826660156	212.0
193.7919921875	192.0
193.985595703125	144.0
194.41311645507812	184.0
194.86572265625	148.0
194.9518585205078	196.0
195.05906677246094	364.0
195.2215118408203	152.0
195.53684997558594	216.0
195.89146423339844	96.0
196.07431030273438	180.0
196.14584350585938	172.0
196.23033142089844	144.0
196.34381103515625	240.0
196.3968048095703	144.0
196.56419372558594	152.0
196.63674926757812	352.0
196.82179260253906	112.0
196.8461151123047	140.0
197.0725555419922	508.0
197.19992065429688	124.0
197.22607421875	216.0
197.42713928222656	140.0
197.47491455078125	148.0
197.5364532470703	184.0
197.74180603027344	164.0
197.90586853027344	180.0
198.0033416748047	168.0
198.0794677734375	18308.0
198.36965942382812	192.0
198.43540954589844	212.0
198.4654998779297	136.0
198.61207580566406	176.0
198.67987060546875	144.0
198.7115020751953	172.0
198.86178588867188	184.0
198.9456787109375	104.0
198.9677276611328	184.0
199.0414581298828	152.0
199.08676147460938	18548.0
199.14813232421875	264.0
199.1813201904297	112.0
199.46568298339844	148.0
199.5057830810547	156.0
199.54440307617188	168.0
199.76406860351562	108.0
199.8504638671875	156.0
199.96775817871094	96.0
200.00686645507812	192.0
200.04061889648438	524.0
200.06007385253906	464.0
200.09011840820312	2440.0
200.14932250976562	208.0
200.2037353515625	124.0
200.42129516601562	96.0
200.507080078125	184.0
200.61497497558594	116.0
200.6395721435547	148.0
200.97518920898438	160.0
201.04867553710938	12612.0
201.0999755859375	968.0
201.2552947998047	152.0
201.3922882080078	96.0
201.6425018310547	220.0
201.7722625732422	352.0
201.8621368408203	172.0
202.0535888671875	3116.0
202.09609985351562	140.0
202.38531494140625	152.0
202.90794372558594	160.0
203.0586395263672	776.0
203.10260009765625	148.0
203.1546630859375	156.0
203.2926788330078	140.0
203.44802856445312	136.0
203.58929443359375	172.0
203.6736297607422	176.0
203.8407440185547	192.0
203.8614501953125	208.0
204.0390167236328	652.0
204.34033203125	192.0
204.4862823486328	160.0
204.5421142578125	128.0
204.91912841796875	172.0
205.0415496826172	944.0
205.31248474121094	160.0
205.3324432373047	160.0
206.01463317871094	160.0
206.04335021972656	132.0
206.0961151123047	112.0
206.27467346191406	232.0
206.3355712890625	140.0
206.55776977539062	164.0
206.8009796142578	144.0
206.8267364501953	160.0
206.9641571044922	172.0
207.0271453857422	144.0
207.05760192871094	336.0
207.44281005859375	160.0
207.49420166015625	144.0
207.60015869140625	168.0
208.08807373046875	176.0
208.22665405273438	156.0
208.5735626220703	148.0
208.705810546875	176.0
208.81509399414062	144.0
209.04434204101562	180.0
209.088134765625	176.0
209.21505737304688	168.0
209.32733154296875	212.0
209.8863525390625	148.0
210.1020050048828	136.0
210.50096130371094	268.0
210.6116943359375	140.0
210.67715454101562	144.0
210.8129425048828	164.0
211.0342254638672	160.0
211.07310485839844	148.0
211.1059112548828	152.0
211.46075439453125	192.0
211.5968017578125	132.0
212.08636474609375	148.0
212.23892211914062	192.0
212.33860778808594	152.0
212.71580505371094	228.0
212.73902893066406	152.0
212.85226440429688	212.0
212.9429473876953	248.0
213.072998046875	144.0
213.17469787597656	144.0
213.29676818847656	228.0
213.4873809814453	128.0
213.52354431152344	140.0
213.64280700683594	184.0
213.8814239501953	152.0
214.01783752441406	116.0
214.07342529296875	2616.0
214.88388061523438	192.0
214.9072265625	168.0
215.03050231933594	164.0
215.07546997070312	464.0
215.2574920654297	232.0
215.68988037109375	168.0
216.00860595703125	156.0
216.02952575683594	388.0
216.31585693359375	204.0
216.69070434570312	180.0
217.04452514648438	448.0
218.0491943359375	488.0
218.24627685546875	140.0
218.29417419433594	196.0
218.4521484375	140.0
218.90147399902344	232.0
218.98976135253906	180.0
219.02276611328125	188.0
219.059814453125	37452.0
219.12042236328125	168.0
219.21380615234375	108.0
219.26185607910156	248.0
219.58248901367188	112.0
219.6864471435547	144.0
219.87232971191406	200.0
219.9317169189453	116.0
219.96974182128906	212.0
220.06195068359375	4068.0
220.2551727294922	132.0
220.59893798828125	164.0
220.6689910888672	200.0
220.85914611816406	140.0
220.94493103027344	164.0
220.98098754882812	192.0
221.0563201904297	1140.0
221.11062622070312	160.0
221.15798950195312	184.0
221.29119873046875	140.0
221.35772705078125	200.0
221.41348266601562	132.0
221.59341430664062	108.0
221.75209045410156	132.0
221.97862243652344	168.0
222.06031799316406	140.0
222.35240173339844	144.0
222.53347778320312	276.0
222.5608367919922	132.0
222.61068725585938	156.0
222.7086944580078	152.0
222.98202514648438	144.0
223.10092163085938	140.0
223.2882537841797	176.0
223.33218383789062	156.0
223.74649047851562	144.0
223.99366760253906	216.0
224.29653930664062	152.0
224.37808227539062	160.0
224.40699768066406	172.0
224.53721618652344	180.0
224.7031707763672	188.0
224.78671264648438	148.0
225.01951599121094	208.0
225.1777801513672	144.0
225.1986846923828	208.0
225.473388671875	140.0
225.51437377929688	164.0
225.901123046875	176.0
226.41294860839844	172.0
227.04603576660156	156.0
227.19064331054688	144.0
227.54638671875	172.0
228.05699157714844	1196.0
228.6977081298828	156.0
228.72337341308594	152.0
228.96351623535156	184.0
229.0434112548828	6360.0
229.27597045898438	160.0
229.31069946289062	276.0
229.38101196289062	188.0
229.72076416015625	148.0
229.78807067871094	116.0
229.83306884765625	140.0
229.94943237304688	128.0
229.98599243164062	228.0
230.05099487304688	31144.0
230.1191864013672	104.0
230.2172088623047	220.0
230.33197021484375	132.0
230.3924560546875	168.0
230.47320556640625	108.0
230.71885681152344	164.0
230.7601318359375	128.0
230.79969787597656	192.0
230.9243927001953	168.0
231.05445861816406	3892.0
231.37330627441406	124.0
231.7838134765625	152.0
231.81747436523438	164.0
231.8750457763672	184.0
231.8992919921875	196.0
231.97731018066406	228.0
232.0454559326172	1140.0
232.12290954589844	184.0
232.1787567138672	160.0
232.49069213867188	196.0
232.57984924316406	128.0
232.6092529296875	124.0
233.0295867919922	284.0
233.12841796875	192.0
233.1770477294922	164.0
233.21351623535156	164.0
233.36550903320312	160.0
233.45025634765625	152.0
233.58714294433594	160.0
233.6757354736328	188.0
233.95877075195312	200.0
234.2530059814453	228.0
234.32363891601562	188.0
235.2818603515625	172.0
235.43605041503906	128.0
235.7797393798828	152.0
235.88059997558594	172.0
236.0609893798828	148.0
236.24557495117188	160.0
236.6193389892578	116.0
237.09877014160156	144.0
237.23976135253906	144.0
237.28268432617188	140.0
237.4298553466797	204.0
237.73049926757812	168.0
238.1630401611328	160.0
238.21363830566406	144.0
238.6796875	156.0
238.7504119873047	160.0
239.1534423828125	156.0
239.17626953125	192.0
239.33645629882812	104.0
240.0396728515625	180.0
240.13516235351562	152.0
240.62693786621094	184.0
240.74119567871094	140.0
240.88943481445312	148.0
241.00787353515625	108.0
241.35302734375	144.0
241.54476928710938	172.0
241.73348999023438	196.0
242.272216796875	168.0
242.60345458984375	140.0
243.02870178222656	196.0
243.1900634765625	168.0
243.3593292236328	184.0
243.7490692138672	164.0
243.87026977539062	156.0
243.9674072265625	180.0
244.49227905273438	220.0
244.60281372070312	148.0
244.63235473632812	304.0
244.7911376953125	156.0
244.8316192626953	164.0
245.5983123779297	160.0
245.80612182617188	132.0
245.9228057861328	212.0
246.0064697265625	120.0
246.04124450683594	204.0
246.06654357910156	216.0
246.20692443847656	140.0
246.85902404785156	160.0
246.99490356445312	200.0
247.05528259277344	38700.0
247.17910766601562	172.0
247.29054260253906	132.0
247.41384887695312	320.0
247.53155517578125	152.0
247.56442260742188	104.0
247.64144897460938	140.0
247.66830444335938	188.0
247.82911682128906	156.0
247.87583923339844	136.0
247.916015625	208.0
248.00491333007812	128.0
248.05662536621094	5296.0
248.28750610351562	200.0
248.34048461914062	112.0
248.38714599609375	108.0
248.81394958496094	188.0
249.05174255371094	616.0
249.19488525390625	180.0
249.44712829589844	156.0
249.7011260986328	244.0
249.72744750976562	224.0
249.8380889892578	108.0
249.91722106933594	184.0
250.04978942871094	352.0
250.31813049316406	204.0
250.35276794433594	200.0
250.80960083007812	144.0
250.91162109375	204.0
251.11544799804688	180.0
251.2620849609375	296.0
251.3173370361328	180.0
251.3425750732422	164.0
251.39938354492188	172.0
251.68821716308594	128.0
251.79714965820312	188.0
251.83505249023438	192.0
252.17312622070312	176.0
252.25531005859375	164.0
252.5810089111328	228.0
253.09719848632812	132.0
254.11109924316406	152.0
254.7279510498047	208.0
254.8445281982422	152.0
254.92713928222656	208.0
254.99130249023438	148.0
255.05108642578125	176.0
255.3340606689453	236.0
255.41357421875	160.0
255.46128845214844	236.0
256.85040283203125	144.0
256.9458312988281	160.0
257.2489929199219	180.0
257.3926696777344	184.0
257.4804382324219	208.0
257.62261962890625	152.0
257.83990478515625	180.0
258.966064453125	172.0
259.2127685546875	200.0
259.3001708984375	144.0
259.4916076660156	144.0
259.5321960449219	140.0
259.5621643066406	172.0
259.9085693359375	212.0
260.0206298828125	148.0
260.0626220703125	276.0
260.2893371582031	148.0
260.31622314453125	148.0
260.5282897949219	164.0
260.5655822753906	164.0
260.8778381347656	176.0
261.0875549316406	124.0
261.4703369140625	252.0
261.5700988769531	140.0
261.67132568359375	104.0
261.72357177734375	96.0
261.7722473144531	180.0
262.06390380859375	120.0
262.22467041015625	148.0
262.2497253417969	176.0
262.2913513183594	132.0
262.3221740722656	144.0
262.4483947753906	128.0
262.5431213378906	120.0
262.58538818359375	124.0
262.67950439453125	180.0
262.77679443359375	204.0
262.853515625	372.0
262.9530029296875	344.0
262.9896545410156	264.0
263.04052734375	240.0
263.111083984375	176.0
263.1447448730469	124.0
263.1842346191406	312.0
263.220703125	160.0
263.2966003417969	192.0
263.3283386230469	368.0
263.3529357910156	152.0
263.36846923828125	240.0
263.4064025878906	276.0
263.45068359375	160.0
263.4744567871094	440.0
263.5008239746094	172.0
263.53887939453125	168.0
263.5805969238281	268.0
263.6382751464844	116.0
263.68133544921875	416.0
263.7550048828125	500.0
263.7848205566406	224.0
263.84759521484375	304.0
263.89178466796875	540.0
263.9491271972656	704.0
263.9935607910156	580.0
264.04302978515625	532.0
264.0830383300781	421328.0
264.1839294433594	108.0
264.3273620605469	340.0
264.3867492675781	692.0
264.42498779296875	472.0
264.4652099609375	436.0
264.51873779296875	356.0
264.5505065917969	168.0
264.5771484375	704.0
264.6139221191406	19992.0
264.6506042480469	500.0
264.6842346191406	400.0
264.739013671875	292.0
264.78985595703125	264.0
264.8379211425781	272.0
264.861083984375	296.0
264.89752197265625	288.0
264.9737854003906	380.0
265.0248718261719	404.0
265.0838928222656	140188.0
265.173583984375	200.0
265.2070617675781	380.0
265.2486267089844	256.0
265.297119140625	116.0
265.319580078125	140.0
265.3685607910156	236.0
265.4031066894531	156.0
265.4395446777344	136.0
265.4643249511719	188.0
265.5533447265625	224.0
265.5790710449219	212.0
265.61138916015625	108.0
265.6634521484375	316.0
265.67193603515625	340.0
265.70233154296875	188.0
265.7478332519531	120.0
265.8331604003906	196.0
265.88671875	192.0
265.94061279296875	128.0
265.9974670410156	180.0
266.0232849121094	140.0
266.07891845703125	36852.0
266.2040100097656	144.0
266.24151611328125	212.0
266.27557373046875	104.0
266.3269348144531	144.0
266.4093017578125	288.0
266.45477294921875	168.0
266.52606201171875	300.0
266.58154296875	140.0
266.64349365234375	180.0
266.684814453125	408.0
266.7156677246094	192.0
266.7424621582031	416.0
266.77410888671875	392.0
266.8323059082031	500.0
266.88037109375	480.0
266.9525451660156	416.0
266.9851989746094	464.0
267.0783996582031	3608.0
267.1438903808594	168.0
267.189208984375	152.0
267.2957763671875	368.0
267.33697509765625	208.0
267.4313659667969	112.0
267.4736328125	144.0
267.5111083984375	208.0
267.5551452636719	136.0
267.6121826171875	216.0
267.6875305175781	124.0
267.77679443359375	108.0
267.85614013671875	240.0
267.9488220214844	144.0
268.00775146484375	108.0
268.0856628417969	128.0
268.1799011230469	96.0
268.2718200683594	172.0
268.32843017578125	96.0
268.48553466796875	124.0
268.5872802734375	216.0
269.2862854003906	188.0
270.06683349609375	144.0
271.40777587890625	152.0
272.48431396484375	140.0
272.7412414550781	240.0
273.1056213378906	152.0
273.93402099609375	104.0
274.0899658203125	164.0
274.4010925292969	140.0
275.27655029296875	184.0
275.3335876464844	172.0
275.70361328125	152.0
275.8352355957031	140.0
276.3804931640625	148.0
276.5122985839844	136.0
276.8479919433594	108.0
277.3645935058594	112.0
277.5030517578125	104.0
277.98004150390625	112.0
279.1865234375	120.0
280.5047302246094	120.0
280.54296875	156.0
281.9114074707031	156.0
282.98846435546875	208.0
284.0719299316406	108.0
285.39752197265625	160.0
286.25341796875	104.0
287.9620056152344	144.0
288.08221435546875	168.0
288.14361572265625	104.0
288.3758239746094	124.0
288.8052673339844	152.0
289.297607421875	192.0
289.4246826171875	264.0
289.5061950683594	136.0
289.6463928222656	228.0
289.705078125	120.0
289.7319641113281	184.0
289.7649230957031	300.0
289.8326416015625	176.0
289.8825988769531	416.0
289.9629821777344	128.0
290.00732421875	160.0
290.0607604980469	174488.0
290.178955078125	208.0
290.2381896972656	148.0
290.3291015625	204.0
290.3742370605469	108.0
290.41552734375	128.0
290.48980712890625	256.0
290.5350341796875	260.0
290.6152038574219	336.0
290.8179016113281	108.0
290.8818664550781	104.0
290.94647216796875	184.0
291.0631103515625	17240.0
291.2310791015625	164.0
291.3719177246094	116.0
291.54473876953125	108.0
291.7748718261719	136.0
291.7992858886719	192.0
291.8429870605469	108.0
291.9346618652344	216.0
291.9679260253906	160.0
292.0580139160156	4972.0
292.23944091796875	156.0
292.37249755859375	100.0
292.7290954589844	160.0
292.8102722167969	164.0
292.9823303222656	140.0
293.0623474121094	568.0
293.24462890625	184.0
293.2700500488281	208.0
293.7438659667969	152.0
294.16290283203125	128.0
296.3714599609375	144.0
302.26416015625	116.0
305.7660217285156	124.0
306.4915466308594	120.0
309.1040954589844	140.0
311.37066650390625	100.0
317.4244384765625	168.0
320.3922424316406	148.0
321.60107421875	152.0
324.65283203125	172.0
326.2721862792969	140.0
326.401611328125	140.0
332.1620788574219	172.0
332.33984375	148.0
336.2188720703125	140.0
340.1204528808594	148.0
342.72784423828125	172.0
347.1080017089844	140.0
347.2007141113281	140.0
347.9019775390625	248.0
348.65924072265625	160.0
348.8139953613281	156.0
348.90045166015625	136.0
348.9899597167969	104.0
349.0191955566406	256.0
349.0525817871094	96.0
349.08807373046875	512.0
349.1343078613281	76172.0
349.3616638183594	96.0
349.476318359375	124.0
349.6827697753906	260.0
349.7163391113281	188.0
349.7648620605469	104.0
349.8899230957031	292.0
350.0375061035156	108.0
350.0825500488281	212.0
350.1368713378906	11296.0
350.22161865234375	176.0
350.4139099121094	112.0
350.9900207519531	180.0
351.13201904296875	3600.0
351.61553955078125	232.0
351.8114013671875	112.0
352.0250549316406	128.0
352.13555908203125	620.0
352.2054748535156	204.0
352.38299560546875	152.0
352.4257507324219	104.0
352.5342102050781	112.0
352.883056640625	152.0
392.4313659667969	160.0
417.0740661621094	148.0
427.7625732421875	176.0
456.5121154785156	128.0
466.1406555175781	140.0
469.5674133300781	148.0
480.3372802734375	148.0
485.7064514160156	128.0
572.0673828125	144.0
596.2916870117188	180.0
608.0612182617188	120.0
629.9780883789062	156.0
975.2536010742188	148.0
979.6030883789062	140.0
1028.4305419921875	172.0
1091.129638671875	144.0
1144.7220458984375	168.0
1174.1268310546875	192.0
1216.2767333984375	236.0
1246.0328369140625	256.0
1275.8428955078125	148.0
1295.5968017578125	220.0
1300.2359619140625	188.0
1316.8021240234375	148.0
1329.739990234375	224.0
1351.6754150390625	140.0
1354.2230224609375	156.0
1395.9581298828125	208.0
1405.231689453125	208.0
1413.4581298828125	176.0
1426.5831298828125	192.0
1428.3126220703125	236.0
1433.0101318359375	200.0
1442.1900634765625	184.0
1451.6119384765625	184.0
1462.72705078125	172.0
1476.032470703125	176.0
1480.37890625	196.0
1484.72412109375	184.0
1497.1199951171875	168.0
1524.1324462890625	168.0
1545.27783203125	220.0
1545.410888671875	176.0
1562.3258056640625	168.0
1564.427001953125	160.0
1570.1868896484375	208.0
1577.5853271484375	160.0
1595.0723876953125	148.0
1596.8056640625	176.0
1598.261474609375	160.0
1614.142822265625	140.0
1616.2945556640625	144.0
1617.7191162109375	180.0
1622.4215087890625	140.0
1623.680419921875	144.0
1629.3634033203125	140.0
1630.914306640625	188.0
1634.84716796875	172.0
1635.6761474609375	212.0
1645.6241455078125	144.0
1651.3616943359375	140.0
1656.987548828125	152.0
1664.758056640625	184.0
1664.94482421875	148.0
1672.05029296875	172.0
1678.0618896484375	140.0
1682.2305908203125	168.0
1685.1788330078125	140.0
1686.263427734375	188.0
1691.73779296875	152.0
1693.3426513671875	148.0
1694.2027587890625	172.0
1697.760009765625	176.0
1701.87109375	176.0
1705.72412109375	180.0
1708.6104736328125	196.0
1709.4168701171875	164.0
1716.4432373046875	140.0
1717.3175048828125	208.0
1723.22802734375	208.0
1728.7183837890625	180.0
1734.7977294921875	156.0
1743.787109375	164.0
1752.9248046875	184.0
1757.5108642578125	212.0
1758.5206298828125	144.0
1759.11328125	176.0
1770.065673828125	200.0
1771.7239990234375	172.0
1776.3094482421875	152.0
1783.6568603515625	164.0
1784.825439453125	148.0
1793.833740234375	176.0
1802.28173828125	152.0
1808.6751708984375	228.0
1808.971435546875	156.0
1810.0889892578125	176.0
1812.409912109375	176.0
1812.723388671875	164.0
1813.378662109375	204.0
1818.0828857421875	156.0
1825.4140625	240.0
1826.1964111328125	172.0
1831.9334716796875	168.0
1833.9615478515625	160.0
1837.8758544921875	204.0
1849.5753173828125	224.0
1853.46337890625	160.0
1854.4061279296875	152.0
1855.8804931640625	168.0
1858.5394287109375	160.0
1859.4576416015625	212.0
1863.8802490234375	140.0
1869.8310546875	208.0
1879.7242431640625	176.0
1880.2333984375	156.0
1883.505615234375	152.0
1885.1644287109375	156.0
1887.4638671875	184.0
1888.1815185546875	172.0
1889.7039794921875	200.0
1892.6900634765625	196.0
1898.001708984375	140.0
1904.27587890625	252.0
1907.7342529296875	172.0
1909.3253173828125	204.0
1911.095703125	212.0
1917.108154296875	184.0
1922.043701171875	160.0
1941.7469482421875	140.0
1941.866943359375	152.0
1943.5950927734375	188.0
1944.323486328125	164.0
1945.21875	180.0
1947.7301025390625	140.0
1948.257080078125	144.0
1952.3970947265625	144.0
1955.2913818359375	156.0
1960.5931396484375	164.0
1960.840576171875	256.0
1962.00341796875	164.0
1964.4638671875	220.0
1964.940185546875	144.0
1973.631103515625	168.0
1974.037841796875	188.0
1978.5592041015625	160.0
1980.1199951171875	180.0
1981.357666015625	156.0
1981.8538818359375	156.0
1985.42626953125	152.0
1986.0382080078125	160.0
1986.792236328125	180.0
1988.4515380859375	156.0
1988.8154296875	172.0
1990.1025390625	152.0
1994.6422119140625	152.0
1997.712646484375	208.0
1999.0357666015625	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078949
PEPMASS=407.203125
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Carvedilol [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccccc1OCCNCC(O)COc2cccc3[nH]c4ccccc4c23
INCHI=InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
INCHIAUX=OGHNVEJMJSYVRP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078949
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078949
SCANS=1198
45.551334381103516	196.0
45.64406967163086	192.0
49.424835205078125	160.0
49.47277069091797	184.0
51.82536697387695	188.0
52.09221649169922	172.0
55.4426383972168	156.0
55.980411529541016	196.0
56.00126266479492	228.0
56.227882385253906	232.0
56.41160202026367	308.0
58.1446533203125	152.0
59.7005729675293	172.0
60.35749053955078	152.0
60.38401412963867	132.0
60.70124816894531	144.0
60.72140884399414	160.0
60.89678955078125	180.0
61.8306884765625	252.0
65.56157684326172	204.0
66.41199493408203	248.0
66.8669204711914	180.0
67.83879852294922	144.0
70.76133728027344	152.0
72.86111450195312	220.0
75.0467529296875	208.0
75.19683074951172	180.0
75.38507843017578	180.0
79.47411346435547	152.0
79.5167007446289	180.0
81.21348571777344	196.0
81.6930923461914	152.0
83.06417083740234	140.0
83.9462661743164	144.0
84.42288970947266	144.0
84.48324584960938	176.0
84.6095199584961	152.0
88.07511901855469	164.0
88.66072845458984	172.0
88.84260559082031	140.0
89.56632232666016	164.0
89.69068908691406	196.0
90.82709503173828	172.0
91.0529556274414	152.0
92.5786361694336	160.0
92.91598510742188	172.0
93.03361511230469	164.0
93.10985565185547	204.0
94.25606536865234	172.0
95.05249786376953	416.0
95.83745574951172	140.0
96.84940338134766	140.0
97.06890106201172	176.0
97.29257202148438	144.0
97.6585693359375	216.0
99.08329010009766	148.0
100.07633209228516	8248.0
100.10198211669922	192.0
100.11983489990234	152.0
101.0817642211914	672.0
101.73373413085938	184.0
102.5423355102539	240.0
103.00526428222656	240.0
103.0528793334961	160.0
104.81204986572266	228.0
104.8956069946289	180.0
105.61026763916016	148.0
105.72689056396484	180.0
107.16634368896484	200.0
108.65080261230469	184.0
108.73795318603516	148.0
109.06227111816406	160.0
110.16426849365234	188.0
110.18724822998047	264.0
111.88179779052734	160.0
114.52879333496094	144.0
114.96158599853516	196.0
117.62728118896484	148.0
117.96209716796875	152.0
118.07669830322266	188.0
118.09183502197266	172.0
118.58547973632812	216.0
119.04939270019531	244.0
119.3851547241211	152.0
119.42790985107422	152.0
120.06169128417969	164.0
121.02999114990234	196.0
121.06539154052734	396.0
122.03794860839844	256.0
122.067626953125	200.0
123.04381561279297	808.0
123.08123779296875	336.0
124.05192565917969	140.0
127.06317138671875	144.0
127.35050201416016	144.0
127.5324935913086	192.0
129.0699462890625	196.0
130.06976318359375	148.0
132.3832244873047	144.0
132.98846435546875	188.0
134.19618225097656	196.0
136.01683044433594	200.0
136.0506591796875	536.0
136.68849182128906	160.0
137.05953979492188	536.0
138.06716918945312	284.0
138.43223571777344	232.0
138.57980346679688	156.0
138.63369750976562	172.0
139.05418395996094	284.0
140.0480194091797	176.0
140.10220336914062	152.0
141.07310485839844	236.0
141.21397399902344	180.0
142.07229614257812	180.0
142.88394165039062	180.0
144.760009765625	148.0
145.0067596435547	220.0
145.05230712890625	224.0
146.05599975585938	148.0
146.11373901367188	172.0
147.26840209960938	140.0
147.36260986328125	160.0
148.0713653564453	148.0
148.74298095703125	208.0
149.031982421875	220.0
149.06227111816406	368.0
149.2701873779297	156.0
150.06813049316406	412.0
150.54954528808594	192.0
150.89161682128906	172.0
151.07522583007812	3296.0
152.07725524902344	736.0
153.0778350830078	168.0
153.12216186523438	160.0
154.0641632080078	240.0
154.2077178955078	164.0
155.0738067626953	164.0
155.2896728515625	172.0
156.0806884765625	1036.0
157.0656280517578	272.0
157.12796020507812	184.0
157.60983276367188	140.0
158.0323944091797	164.0
158.06491088867188	164.0
159.60755920410156	164.0
162.08628845214844	168.0
162.11669921875	148.0
163.08082580566406	160.0
164.1121063232422	224.0
165.0752410888672	432.0
166.06277465820312	608.0
166.0861053466797	596.0
167.073486328125	576.0
167.9640655517578	176.0
168.08143615722656	1036.0
168.95602416992188	144.0
169.0568084716797	164.0
169.08462524414062	576.0
169.10806274414062	180.0
170.0646514892578	184.0
170.0994110107422	276.0
170.2078857421875	232.0
171.06568908691406	172.0
171.0996856689453	172.0
174.67703247070312	156.0
175.11923217773438	152.0
175.63055419921875	176.0
175.67803955078125	168.0
176.20339965820312	152.0
177.0713348388672	196.0
177.34921264648438	212.0
178.07684326171875	180.0
178.4508819580078	140.0
178.72218322753906	176.0
179.06838989257812	164.0
180.10231018066406	5516.0
181.08169555664062	352.0
181.10736083984375	620.0
182.0604705810547	640.0
182.0963134765625	708.0
183.0689239501953	3524.0
183.17324829101562	96.0
183.38897705078125	124.0
183.89431762695312	164.0
183.94290161132812	164.0
184.0758056640625	5268.0
184.12835693359375	184.0
185.0791473388672	804.0
185.1271209716797	160.0
185.34652709960938	168.0
185.6474151611328	144.0
186.08230590820312	160.0
186.16030883789062	228.0
186.89422607421875	144.0
188.40464782714844	156.0
188.9268035888672	164.0
189.0865478515625	116.0
190.0857696533203	148.0
191.07138061523438	244.0
191.0958709716797	164.0
192.08419799804688	324.0
193.08999633789062	1368.0
193.31260681152344	208.0
194.06546020507812	172.0
194.0963592529297	12580.0
195.09915161132812	1400.0
195.40196228027344	160.0
196.07586669921875	5012.0
196.1104736328125	480.0
196.57778930664062	172.0
197.08071899414062	540.0
197.11573791503906	248.0
198.08920288085938	552.0
198.49111938476562	144.0
199.14219665527344	180.0
199.942626953125	148.0
201.12156677246094	160.0
201.39569091796875	236.0
204.08018493652344	472.0
204.7620849609375	164.0
204.7975311279297	128.0
205.08517456054688	484.0
205.47470092773438	172.0
206.037109375	256.0
206.1184844970703	3148.0
206.3171844482422	172.0
206.53736877441406	164.0
207.06961059570312	472.0
207.115234375	416.0
207.88677978515625	144.0
208.07354736328125	532.0
208.13482666015625	532.0
209.07745361328125	160.0
209.11236572265625	160.0
209.1385955810547	636.0
210.0917205810547	1988.0
210.87326049804688	140.0
211.09439086914062	424.0
211.12477111816406	200.0
212.11070251464844	152.0
212.31503295898438	148.0
212.88671875	140.0
213.1143035888672	172.0
215.68072509765625	144.0
218.18414306640625	184.0
218.20472717285156	156.0
218.9020538330078	140.0
219.10528564453125	276.0
220.07571411132812	248.0
220.11767578125	292.0
220.2173614501953	184.0
220.69314575195312	192.0
220.7907257080078	164.0
221.0840301513672	340.0
221.17239379882812	172.0
222.0917510986328	18132.0
222.284912109375	112.0
222.33123779296875	140.0
222.62216186523438	144.0
222.89825439453125	144.0
223.09471130371094	4288.0
223.9414825439453	124.0
224.12863159179688	13208.0
224.2673797607422	160.0
224.39932250976562	124.0
224.50498962402344	128.0
224.5870819091797	144.0
224.62721252441406	100.0
225.04598999023438	148.0
225.1313018798828	1628.0
225.42752075195312	104.0
226.09754943847656	132.0
226.1444549560547	288.0
226.73008728027344	164.0
227.13185119628906	264.0
227.389892578125	168.0
230.09487915039062	128.0
231.09942626953125	224.0
232.35980224609375	180.0
232.87887573242188	192.0
232.95785522460938	188.0
233.0882110595703	168.0
235.0900421142578	124.0
235.13491821289062	188.0
235.93519592285156	152.0
236.10691833496094	340.0
237.10655212402344	464.0
237.1688232421875	196.0
238.07894897460938	168.0
238.1187286376953	260.0
239.12088012695312	236.0
239.2545928955078	184.0
240.10400390625	616.0
240.49685668945312	180.0
240.9384307861328	240.0
241.20419311523438	156.0
241.4669952392578	196.0
241.52577209472656	148.0
241.7144775390625	148.0
243.9288787841797	172.0
244.33627319335938	180.0
245.06480407714844	176.0
247.0941925048828	140.0
247.1189727783203	420.0
247.77041625976562	148.0
248.10736083984375	548.0
249.111328125	160.0
249.694580078125	172.0
250.10989379882812	316.0
250.96046447753906	144.0
251.093505859375	260.0
253.95274353027344	160.0
254.11827087402344	148.0
256.1144104003906	216.0
256.1515808105469	140.0
257.1376647949219	196.0
257.4400939941406	196.0
262.9523620605469	148.0
263.1912536621094	180.0
264.27728271484375	200.0
264.5523681640625	160.0
265.1306457519531	312.0
267.8446350097656	120.0
268.0979919433594	168.0
269.1086730957031	116.0
270.50634765625	140.0
270.981201171875	172.0
271.3515625	168.0
273.4769287109375	144.0
277.1193542480469	172.0
277.3479919433594	156.0
277.44744873046875	208.0
278.0806884765625	260.0
280.1125793457031	140.0
280.22918701171875	172.0
280.4557800292969	204.0
281.64361572265625	172.0
281.72918701171875	208.0
281.9877624511719	140.0
283.0415344238281	160.0
283.1449890136719	9244.0
283.7734069824219	148.0
283.8893127441406	168.0
284.14715576171875	1908.0
284.4261169433594	168.0
285.1515197753906	484.0
286.5278625488281	176.0
287.7149658203125	144.0
288.407470703125	172.0
289.0940246582031	204.0
289.4257507324219	140.0
294.2742919921875	172.0
296.1387634277344	140.0
297.7842712402344	140.0
300.20758056640625	136.0
301.14923095703125	196.0
301.25115966796875	132.0
305.162109375	172.0
308.00927734375	188.0
308.54742431640625	144.0
313.6586608886719	184.0
318.1654052734375	144.0
318.2506103515625	208.0
319.47320556640625	220.0
321.3863830566406	156.0
321.765380859375	208.0
321.9039611816406	212.0
323.2265319824219	148.0
324.77777099609375	140.0
325.25140380859375	156.0
326.2176818847656	156.0
326.9765930175781	140.0
330.1802673339844	176.0
332.564208984375	212.0
333.0907287597656	148.0
334.4781799316406	176.0
335.78411865234375	144.0
339.33843994140625	148.0
350.58306884765625	160.0
351.2189636230469	136.0
354.4619445800781	244.0
355.64703369140625	172.0
358.7427673339844	140.0
360.56585693359375	216.0
362.2192687988281	168.0
363.17034912109375	184.0
363.5614318847656	140.0
364.1741638183594	184.0
367.2022705078125	196.0
367.7593078613281	224.0
368.2403869628906	176.0
368.5994873046875	164.0
370.77691650390625	148.0
371.0758972167969	184.0
371.2062683105469	180.0
373.42108154296875	232.0
373.68756103515625	144.0
376.146240234375	188.0
377.12347412109375	144.0
378.4875793457031	176.0
378.7253112792969	144.0
380.1636657714844	140.0
381.4764404296875	280.0
381.94305419921875	148.0
382.4333190917969	144.0
383.2770080566406	124.0
384.25701904296875	240.0
386.785400390625	164.0
389.1861267089844	348.0
390.19830322265625	188.0
391.94189453125	216.0
392.64752197265625	172.0
394.4202880859375	144.0
395.3378601074219	148.0
396.42291259765625	152.0
396.75189208984375	140.0
397.1325378417969	172.0
398.6570739746094	164.0
398.8321838378906	124.0
401.59918212890625	164.0
401.6940002441406	168.0
403.00726318359375	192.0
403.1185302734375	140.0
403.310302734375	100.0
403.891845703125	228.0
403.977783203125	108.0
404.2159118652344	152.0
404.2457275390625	112.0
404.3947448730469	108.0
404.51446533203125	184.0
404.56683349609375	112.0
404.7082214355469	244.0
404.7843017578125	112.0
404.8323669433594	204.0
404.9075012207031	100.0
405.0766906738281	168.0
405.1754150390625	148.0
405.5056457519531	212.0
405.53875732421875	112.0
405.7191162109375	240.0
405.83343505859375	116.0
405.9114990234375	152.0
406.0009765625	120.0
406.0543518066406	272.0
406.107421875	296.0
406.137939453125	392.0
406.199951171875	180.0
406.2393493652344	172.0
406.35552978515625	184.0
406.42767333984375	148.0
406.4575500488281	300.0
406.5146179199219	216.0
406.59869384765625	164.0
406.68603515625	124.0
406.72137451171875	204.0
406.7549133300781	168.0
406.8135681152344	120.0
406.8680419921875	400.0
406.9326477050781	256.0
407.0561218261719	236.0
407.1035461425781	508.0
407.1329650878906	464.0
407.1988830566406	193420.0
407.2911682128906	280.0
407.3648681640625	188.0
407.4173889160156	156.0
407.47247314453125	220.0
407.5094299316406	204.0
407.57208251953125	128.0
407.62237548828125	280.0
407.6722412109375	236.0
407.7747497558594	100.0
407.822021484375	156.0
407.85992431640625	3532.0
407.91778564453125	268.0
407.98455810546875	156.0
408.0591735839844	196.0
408.2015075683594	74408.0
408.4948425292969	156.0
408.5672607421875	160.0
408.6446533203125	180.0
408.6968994140625	172.0
408.7230529785156	164.0
408.8063659667969	116.0
408.8642578125	356.0
408.9566650390625	144.0
409.0257263183594	144.0
409.13555908203125	152.0
409.2034912109375	11420.0
409.2569580078125	304.0
409.4704284667969	120.0
409.53289794921875	192.0
409.7220764160156	104.0
409.7983703613281	184.0
409.9401550292969	124.0
409.9684753417969	212.0
410.1341857910156	112.0
410.2041015625	1236.0
410.2945251464844	184.0
410.3521423339844	152.0
410.388916015625	200.0
410.482177734375	120.0
410.5156555175781	192.0
410.61126708984375	232.0
410.66644287109375	120.0
410.69580078125	304.0
410.7334289550781	252.0
410.7757568359375	144.0
410.8489990234375	228.0
410.90826416015625	256.0
411.1092834472656	124.0
411.1876525878906	132.0
411.21258544921875	272.0
411.2923889160156	104.0
411.4015808105469	100.0
411.4635925292969	240.0
411.5466003417969	124.0
411.74212646484375	112.0
411.8053283691406	176.0
411.8707275390625	168.0
411.9278564453125	124.0
412.0185546875	156.0
412.09185791015625	164.0
412.2301940917969	144.0
412.5417175292969	112.0
412.9174499511719	228.0
413.93988037109375	148.0
414.2554626464844	104.0
415.41656494140625	164.0
417.4659118652344	168.0
422.2460021972656	132.0
424.08984375	96.0
424.8687744140625	160.0
428.0219421386719	108.0
535.1928100585938	156.0
600.7969360351562	156.0
635.433837890625	140.0
664.3374633789062	176.0
763.014892578125	140.0
1288.0689697265625	160.0
1436.5885009765625	212.0
1446.2152099609375	168.0
1467.5086669921875	196.0
1505.1214599609375	208.0
1543.194580078125	212.0
1620.94384765625	156.0
1642.5223388671875	168.0
1669.346435546875	140.0
1729.3690185546875	152.0
1763.478515625	216.0
1791.3951416015625	144.0
1809.8232421875	216.0
1810.382080078125	148.0
1826.3121337890625	160.0
1835.8167724609375	180.0
1855.5	144.0
1873.0565185546875	168.0
1892.3836669921875	152.0
1908.5045166015625	144.0
1916.8955078125	176.0
1940.5567626953125	192.0
1972.5047607421875	244.0
1978.1572265625	156.0
2000.669921875	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078950
PEPMASS=568.327881
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=36.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=NELFINAVIR MESYLATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1c(O)cccc1C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C
INCHI=InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1
INCHIAUX=QAGYKUNXZHXKMR-HKWSIXNMSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078950
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078950
SCANS=1298
45.138526916503906	144.0
45.25092315673828	224.0
45.26029586791992	172.0
45.419776916503906	148.0
45.50835037231445	172.0
46.276885986328125	144.0
47.03683853149414	140.0
47.151573181152344	140.0
47.58855438232422	152.0
47.78784942626953	200.0
47.97515106201172	164.0
48.643310546875	224.0
48.67802047729492	140.0
49.84865188598633	216.0
49.8837890625	308.0
50.05684280395508	192.0
50.18929672241211	148.0
50.980594635009766	180.0
51.4120979309082	256.0
51.426368713378906	156.0
51.715087890625	212.0
52.0146598815918	140.0
53.74123001098633	148.0
53.8851203918457	116.0
54.727664947509766	160.0
55.233863830566406	160.0
55.26641082763672	180.0
56.60309600830078	144.0
56.925498962402344	200.0
57.396488189697266	160.0
57.973941802978516	184.0
59.004425048828125	184.0
59.62830352783203	184.0
59.75286102294922	140.0
59.92221450805664	184.0
60.224571228027344	172.0
60.34665298461914	140.0
60.368507385253906	128.0
61.04301834106445	120.0
62.02332305908203	168.0
62.35449981689453	148.0
63.95673370361328	148.0
64.05386352539062	180.0
64.5726089477539	228.0
65.71958923339844	236.0
66.47850036621094	204.0
66.84412384033203	152.0
66.95970916748047	168.0
68.8969497680664	176.0
72.00906372070312	152.0
72.05973815917969	176.0
72.30061340332031	160.0
72.90867614746094	152.0
73.08892822265625	232.0
74.0055160522461	140.0
74.19397735595703	148.0
74.8830337524414	140.0
76.30719757080078	148.0
76.39241027832031	148.0
77.5974349975586	152.0
77.65179443359375	200.0
78.22501373291016	224.0
78.32849884033203	144.0
78.34611511230469	196.0
79.53443145751953	152.0
79.56816101074219	148.0
81.0792465209961	148.0
81.6894760131836	176.0
82.47566986083984	152.0
83.84598541259766	140.0
84.80917358398438	208.0
85.08983612060547	200.0
85.53471374511719	220.0
85.58810424804688	144.0
85.66545867919922	156.0
85.99551391601562	180.0
86.6223373413086	188.0
86.998779296875	152.0
88.15565490722656	168.0
88.57452392578125	236.0
89.42132568359375	156.0
89.9528579711914	248.0
91.00926208496094	148.0
91.15172576904297	164.0
91.45220184326172	200.0
92.6456527709961	160.0
92.85266876220703	188.0
93.54437255859375	200.0
93.96642303466797	156.0
94.39134979248047	188.0
95.68162536621094	156.0
95.80626678466797	144.0
95.85691833496094	172.0
95.971923828125	156.0
96.2229995727539	216.0
96.53428649902344	168.0
96.78279876708984	160.0
97.06495666503906	172.0
97.16498565673828	168.0
97.40840911865234	140.0
97.46145629882812	160.0
97.7642822265625	200.0
99.17442321777344	180.0
99.408447265625	160.0
100.39315032958984	160.0
100.62261199951172	176.0
100.71247863769531	148.0
101.41677856445312	164.0
102.16175079345703	212.0
102.99629211425781	148.0
103.16400909423828	160.0
104.29104614257812	140.0
104.36219787597656	152.0
105.01792907714844	164.0
105.74938201904297	224.0
105.8722152709961	172.0
106.06275939941406	156.0
106.65184783935547	144.0
107.04844665527344	520.0
107.55608367919922	196.0
107.75433349609375	256.0
107.77499389648438	196.0
107.98585510253906	152.0
108.11412048339844	196.0
108.18656158447266	208.0
109.00997924804688	356.0
109.06159210205078	96.0
109.13261413574219	252.0
109.9303970336914	188.0
110.06990051269531	164.0
110.54476928710938	204.0
111.02837371826172	180.0
111.47163391113281	156.0
112.39814758300781	156.0
113.00454711914062	140.0
113.2374038696289	248.0
113.53410339355469	176.0
113.9586410522461	160.0
114.10104370117188	164.0
114.6011962890625	140.0
116.1460189819336	180.0
116.94828033447266	176.0
117.5150375366211	156.0
117.55171203613281	184.0
117.77408599853516	200.0
117.80216217041016	172.0
118.18915557861328	184.0
118.85870361328125	176.0
119.10836791992188	168.0
119.90251922607422	172.0
120.12273406982422	180.0
120.50477600097656	148.0
120.81741333007812	160.0
121.1085433959961	148.0
121.9071273803711	140.0
122.03351593017578	208.0
122.6377944946289	168.0
123.0261001586914	3768.0
123.85303497314453	156.0
123.98818969726562	192.0
124.0291748046875	188.0
124.26536560058594	216.0
124.36966705322266	184.0
124.58061981201172	160.0
125.38385772705078	148.0
125.5220718383789	172.0
127.20452117919922	180.0
127.31005096435547	140.0
127.46729278564453	180.0
128.06048583984375	376.0
129.0677032470703	144.0
129.18983459472656	180.0
130.653076171875	200.0
131.92330932617188	144.0
132.52291870117188	160.0
133.06369018554688	200.0
134.06109619140625	872.0
134.13851928710938	140.0
134.34375	148.0
134.59994506835938	184.0
134.63458251953125	144.0
134.75013732910156	144.0
134.83094787597656	168.0
134.92025756835938	156.0
134.94374084472656	156.0
134.96363830566406	220.0
134.97314453125	212.0
135.04458618164062	61520.0
135.38743591308594	96.0
135.4684600830078	152.0
135.5211944580078	192.0
135.8056640625	144.0
136.0478515625	5244.0
136.16944885253906	124.0
136.75828552246094	496.0
136.7978515625	152.0
136.92459106445312	120.0
137.02496337890625	312.0
137.04920959472656	472.0
137.06912231445312	176.0
137.092041015625	180.0
137.1237335205078	180.0
137.22097778320312	128.0
138.0577850341797	264.0
138.128173828125	9672.0
138.26832580566406	184.0
138.44625854492188	156.0
138.71888732910156	100.0
139.0816192626953	144.0
139.13345336914062	524.0
140.75143432617188	128.0
143.28387451171875	164.0
143.87054443359375	176.0
144.34600830078125	200.0
145.08583068847656	188.0
145.33045959472656	236.0
145.73623657226562	156.0
146.13699340820312	148.0
147.03350830078125	188.0
147.0607147216797	164.0
147.0823974609375	256.0
147.20556640625	184.0
147.2852783203125	212.0
148.07382202148438	288.0
149.04428100585938	732.0
149.08055114746094	212.0
150.037109375	156.0
150.09530639648438	124.0
150.1278533935547	784.0
151.0227508544922	672.0
151.060546875	648.0
152.02076721191406	184.0
152.07090759277344	2280.0
152.14382934570312	4928.0
153.04513549804688	372.0
153.07290649414062	248.0
153.14694213867188	300.0
153.74649047851562	156.0
154.15237426757812	136.0
154.17538452148438	168.0
154.77667236328125	176.0
155.62464904785156	156.0
156.93588256835938	144.0
157.13075256347656	148.0
157.24270629882812	144.0
157.55482482910156	144.0
158.3076934814453	152.0
158.8039093017578	164.0
159.0802001953125	248.0
159.17282104492188	144.0
159.38381958007812	160.0
160.08309936523438	252.0
161.0424041748047	2596.0
161.1197509765625	144.0
161.5773468017578	196.0
161.6489715576172	168.0
162.04864501953125	336.0
162.85748291015625	152.0
162.90066528320312	148.0
163.05404663085938	184.0
163.1344451904297	268.0
163.61524963378906	232.0
164.04067993164062	172.0
164.1495819091797	224.0
164.7117919921875	144.0
165.0107879638672	180.0
165.14146423339844	148.0
166.12545776367188	260.0
166.9441375732422	180.0
167.04957580566406	176.0
167.1222381591797	200.0
170.55596923828125	192.0
171.8580780029297	152.0
172.09820556640625	156.0
174.09080505371094	700.0
175.04019165039062	140.0
175.0744171142578	156.0
175.10968017578125	204.0
176.07186889648438	700.0
177.04185485839844	152.0
178.0684814453125	300.0
178.53060913085938	140.0
178.6290283203125	196.0
178.86851501464844	196.0
179.05250549316406	4048.0
179.12413024902344	196.0
179.7213134765625	156.0
180.05564880371094	444.0
180.13661193847656	164.0
181.05096435546875	180.0
181.1351318359375	128.0
181.16769409179688	180.0
182.05796813964844	144.0
182.3590850830078	140.0
182.98960876464844	172.0
183.1503143310547	396.0
184.1480712890625	280.0
186.03536987304688	156.0
187.22084045410156	148.0
188.14024353027344	164.0
188.1671600341797	148.0
189.15235900878906	488.0
189.43594360351562	164.0
190.093017578125	156.0
190.1589813232422	6940.0
191.1603546142578	900.0
192.02645874023438	96.0
192.1719970703125	164.0
194.52651977539062	220.0
195.14944458007812	812.0
195.86680603027344	256.0
196.07904052734375	524.0
196.1270751953125	140.0
197.06259155273438	2064.0
197.4940948486328	176.0
198.06857299804688	448.0
198.13792419433594	176.0
198.6313018798828	176.0
198.78086853027344	108.0
199.06027221679688	152.0
200.85629272460938	140.0
201.41517639160156	140.0
202.08615112304688	5156.0
203.0861358642578	480.0
203.14683532714844	232.0
203.95115661621094	168.0
204.13311767578125	160.0
204.42611694335938	148.0
205.10108947753906	200.0
207.16294860839844	200.0
208.0622100830078	148.0
208.16432189941406	148.0
209.16444396972656	144.0
210.1483917236328	152.0
210.1743621826172	168.0
213.30795288085938	280.0
214.01780700683594	144.0
214.85427856445312	148.0
215.14610290527344	192.0
216.0052490234375	148.0
216.09300231933594	140.0
216.44424438476562	180.0
216.71957397460938	236.0
217.1407928466797	288.0
217.5965118408203	208.0
217.927001953125	168.0
219.22015380859375	168.0
219.39471435546875	124.0
220.09600830078125	992.0
221.10171508789062	152.0
221.91293334960938	156.0
222.1492919921875	172.0
222.77061462402344	176.0
226.93087768554688	164.0
228.27005004882812	172.0
229.57998657226562	140.0
231.02978515625	140.0
232.0390625	136.0
233.15785217285156	152.0
233.2930908203125	252.0
234.05386352539062	248.0
235.1560516357422	252.0
236.1583709716797	292.0
237.19329833984375	184.0
237.441650390625	156.0
239.1037139892578	164.0
239.21124267578125	4136.0
239.74465942382812	164.0
239.8120880126953	160.0
240.15396118164062	136.0
240.21337890625	512.0
240.45668029785156	156.0
241.2230987548828	148.0
241.9156036376953	144.0
242.22195434570312	116.0
243.24855041503906	168.0
243.60836791992188	188.0
244.4862518310547	168.0
244.95570373535156	176.0
246.06097412109375	132.0
247.4384002685547	156.0
247.53233337402344	176.0
249.21986389160156	160.0
249.40841674804688	152.0
250.05003356933594	164.0
251.1717071533203	248.0
251.21047973632812	560.0
252.21531677246094	156.0
253.07290649414062	100.0
253.61373901367188	200.0
254.2724151611328	160.0
257.4017333984375	200.0
257.5997314453125	176.0
258.3125915527344	140.0
258.4309387207031	140.0
261.1448669433594	152.0
261.3603820800781	176.0
261.4215393066406	176.0
262.9878234863281	168.0
265.2279357910156	512.0
265.4526672363281	148.0
265.4737243652344	216.0
265.8260498046875	156.0
266.12469482421875	160.0
266.1669006347656	192.0
266.2290344238281	176.0
267.1354064941406	152.0
272.1422119140625	248.0
274.3695373535156	140.0
275.3330383300781	152.0
277.490478515625	160.0
277.8619384765625	160.0
278.52587890625	160.0
278.58233642578125	152.0
282.8205261230469	164.0
286.0205383300781	132.0
286.088134765625	168.0
286.13714599609375	176.0
286.1773376464844	128.0
287.08966064453125	268.0
288.4411926269531	176.0
288.9983825683594	212.0
289.236083984375	160.0
292.46746826171875	196.0
293.0498046875	168.0
294.6101379394531	168.0
295.0839538574219	148.0
295.6962585449219	164.0
295.7544250488281	264.0
296.1927185058594	168.0
297.1800231933594	156.0
298.16009521484375	920.0
298.4577331542969	176.0
299.16802978515625	568.0
299.5831604003906	156.0
300.11968994140625	160.0
300.1647033691406	240.0
300.6934509277344	236.0
302.86474609375	148.0
304.8665771484375	160.0
305.0125427246094	160.0
305.4228515625	144.0
305.53070068359375	156.0
305.81256103515625	148.0
306.16766357421875	140.0
306.41497802734375	168.0
306.95172119140625	176.0
308.0091857910156	172.0
310.5888977050781	176.0
311.3479309082031	196.0
311.3996887207031	188.0
311.6003112792969	152.0
311.756103515625	116.0
312.10577392578125	9528.0
312.2349548339844	140.0
312.679443359375	148.0
313.10650634765625	1544.0
313.6374206542969	144.0
314.1006774902344	548.0
314.36749267578125	148.0
314.82794189453125	136.0
315.11376953125	204.0
315.1619873046875	140.0
315.1914367675781	248.0
315.4319152832031	104.0
315.5472106933594	208.0
315.9419860839844	128.0
316.169921875	412.0
317.1118469238281	148.0
318.16180419921875	140.0
318.5453186035156	192.0
320.1657409667969	148.0
320.68377685546875	176.0
320.8482360839844	180.0
322.4862060546875	252.0
324.34027099609375	140.0
325.59600830078125	144.0
325.7736511230469	152.0
326.16064453125	124.0
327.2225646972656	136.0
327.49859619140625	156.0
328.4537658691406	140.0
328.5006408691406	140.0
328.607177734375	144.0
328.6666259765625	148.0
328.76690673828125	176.0
328.81256103515625	160.0
328.89495849609375	176.0
329.0829772949219	168.0
329.4101867675781	100.0
329.4548645019531	120.0
329.47833251953125	224.0
329.572265625	276.0
329.6437683105469	132.0
329.6865234375	260.0
329.8193664550781	204.0
329.8825988769531	300.0
329.952392578125	152.0
330.0120544433594	112.0
330.11761474609375	222412.0
330.2531433105469	180.0
330.3569030761719	112.0
330.427734375	236.0
330.49163818359375	396.0
330.53790283203125	124.0
330.6038513183594	140.0
330.66021728515625	112.0
330.7119140625	2744.0
330.7600402832031	284.0
330.7997741699219	296.0
330.9085388183594	200.0
330.952880859375	124.0
330.9868469238281	152.0
331.06829833984375	228.0
331.11956787109375	57448.0
331.24822998046875	176.0
331.2888488769531	108.0
331.3869934082031	176.0
331.5542297363281	104.0
331.92681884765625	100.0
331.9657287597656	100.0
332.1152038574219	13688.0
332.1798400878906	384.0
332.3004150390625	180.0
332.3277282714844	156.0
332.4461364746094	104.0
332.4854431152344	124.0
332.544677734375	252.0
332.6507873535156	120.0
332.7584533691406	240.0
332.8608703613281	196.0
332.9217529296875	96.0
333.02001953125	172.0
333.1159973144531	3020.0
333.20050048828125	568.0
333.25946044921875	244.0
333.3569030761719	276.0
333.4044189453125	240.0
333.4608459472656	272.0
333.4852600097656	232.0
333.6067810058594	104.0
333.9549255371094	124.0
334.00738525390625	156.0
334.1141052246094	140.0
334.20281982421875	212.0
334.36663818359375	108.0
334.52532958984375	136.0
334.99432373046875	132.0
335.1553649902344	112.0
335.27001953125	172.0
335.344482421875	204.0
335.6990661621094	108.0
337.1202087402344	144.0
337.33221435546875	160.0
338.0649719238281	96.0
340.40771484375	128.0
340.7660827636719	164.0
343.1801452636719	448.0
343.5456237792969	220.0
344.172607421875	512.0
346.1717224121094	184.0
346.8848571777344	172.0
348.6495666503906	144.0
348.9340515136719	196.0
349.153076171875	156.0
349.6728515625	112.0
349.80828857421875	164.0
350.8774719238281	140.0
351.296142578125	104.0
353.0693054199219	144.0
354.9041442871094	204.0
355.2511291503906	140.0
355.947265625	156.0
356.0411682128906	176.0
357.2171325683594	428.0
358.2222595214844	300.0
360.12750244140625	280.0
362.3404235839844	148.0
363.0393981933594	168.0
367.3630065917969	124.0
367.808837890625	156.0
369.1192626953125	268.0
370.9454650878906	140.0
371.6603698730469	148.0
373.2371520996094	140.0
373.39129638671875	160.0
374.7578430175781	164.0
377.6182861328125	148.0
378.0361022949219	164.0
378.3125915527344	192.0
382.9452209472656	208.0
385.78118896484375	160.0
391.3470764160156	148.0
391.4100646972656	140.0
392.7736511230469	152.0
396.27117919921875	164.0
396.4307556152344	160.0
399.246337890625	2244.0
400.2478942871094	1088.0
400.30908203125	116.0
400.4193420410156	164.0
401.24517822265625	128.0
401.5312805175781	168.0
402.2516784667969	116.0
406.696533203125	152.0
407.8854675292969	148.0
407.9958801269531	140.0
408.0382385253906	180.0
409.8695373535156	176.0
410.3854675292969	196.0
411.1962890625	164.0
412.77178955078125	156.0
413.2328796386719	152.0
413.4473571777344	156.0
414.4394226074219	192.0
414.9217224121094	168.0
416.9837951660156	176.0
417.5000915527344	168.0
417.84991455078125	148.0
418.981689453125	188.0
420.6250915527344	192.0
420.8208923339844	104.0
420.9190368652344	140.0
421.0047912597656	188.0
422.1408386230469	140.0
423.2210998535156	208.0
423.7617492675781	188.0
428.5827941894531	128.0
430.235107421875	144.0
431.7432556152344	184.0
432.4051818847656	156.0
433.2998962402344	112.0
434.2986145019531	132.0
435.1991271972656	152.0
435.8969421386719	140.0
436.1712646484375	196.0
437.2942810058594	184.0
438.03125	152.0
439.023193359375	152.0
439.4653625488281	172.0
440.1749267578125	172.0
440.7346496582031	148.0
445.338623046875	184.0
445.7041015625	152.0
448.0180969238281	172.0
449.2303466796875	816.0
450.2199401855469	264.0
451.21466064453125	292.0
452.9605407714844	172.0
453.97772216796875	148.0
454.04278564453125	128.0
454.50372314453125	224.0
454.85595703125	180.0
455.91351318359375	180.0
456.7978820800781	148.0
456.9978332519531	188.0
457.6575622558594	140.0
457.7554931640625	180.0
458.2879333496094	208.0
458.6927795410156	156.0
459.5968933105469	164.0
460.3481750488281	184.0
461.74560546875	144.0
463.4978942871094	156.0
464.0587463378906	132.0
464.41387939453125	148.0
464.60693359375	144.0
464.9444580078125	144.0
465.11328125	140.0
465.2153625488281	276.0
465.47119140625	152.0
465.6004333496094	172.0
465.7140808105469	156.0
465.8062438964844	116.0
465.99609375	112.0
466.0588073730469	96.0
466.1294860839844	104.0
466.1950378417969	228.0
466.3396301269531	100.0
466.45245361328125	104.0
466.556640625	224.0
466.72430419921875	208.0
466.8318176269531	272.0
466.88861083984375	132.0
466.927978515625	140.0
466.98065185546875	164.0
467.0122985839844	144.0
467.1731872558594	240.0
467.2367858886719	109688.0
467.3377990722656	248.0
467.4566345214844	100.0
467.4901123046875	116.0
467.5529479980469	184.0
467.8595275878906	196.0
467.97406005859375	104.0
468.0129699707031	152.0
468.0718078613281	212.0
468.10833740234375	212.0
468.2395935058594	31976.0
468.4299011230469	244.0
468.633544921875	96.0
468.8159484863281	112.0
469.2376403808594	7048.0
469.3720397949219	104.0
469.4820556640625	136.0
469.7715148925781	96.0
469.9351501464844	212.0
469.9798583984375	140.0
470.12060546875	216.0
470.18084716796875	272.0
470.2396545410156	1992.0
470.4189758300781	180.0
470.6783142089844	96.0
470.8028259277344	180.0
470.8529968261719	124.0
470.9040222167969	236.0
471.02532958984375	184.0
471.1235656738281	328.0
471.2353210449219	180.0
471.3290710449219	124.0
471.4141845703125	200.0
471.6866455078125	96.0
471.8805236816406	144.0
472.02276611328125	104.0
472.11956787109375	136.0
472.2170104980469	108.0
472.2590026855469	136.0
472.3775939941406	112.0
472.4783630371094	108.0
472.653564453125	168.0
472.97979736328125	152.0
473.0880126953125	140.0
473.274169921875	252.0
473.33953857421875	124.0
474.23455810546875	104.0
474.8125305175781	184.0
475.23760986328125	168.0
476.3837585449219	140.0
476.8369140625	108.0
477.4583435058594	120.0
478.2254943847656	164.0
478.7426452636719	196.0
481.93304443359375	160.0
484.3095703125	172.0
484.4290771484375	100.0
484.7345275878906	232.0
485.3701171875	160.0
486.919189453125	144.0
488.1936340332031	156.0
491.7621765136719	240.0
492.9678039550781	200.0
493.0951843261719	156.0
493.9095153808594	208.0
494.940673828125	156.0
495.2273254394531	248.0
496.2073059082031	168.0
496.7287292480469	156.0
497.7785339355469	152.0
499.3294677734375	148.0
501.150146484375	144.0
502.8357238769531	148.0
503.0633850097656	180.0
504.5688781738281	204.0
506.91424560546875	140.0
507.2145080566406	148.0
508.37933349609375	112.0
512.2619018554688	136.0
512.6797485351562	172.0
512.765380859375	160.0
513.1395263671875	192.0
514.2898559570312	228.0
514.343994140625	160.0
514.6058349609375	180.0
518.255859375	148.0
519.9990844726562	148.0
521.2240600585938	100.0
521.2869262695312	148.0
521.8914794921875	184.0
523.1608276367188	172.0
523.7891845703125	140.0
524.0944213867188	156.0
525.8729248046875	152.0
526.41162109375	144.0
532.1886596679688	148.0
532.585205078125	156.0
534.1940307617188	208.0
534.3688354492188	152.0
534.6817016601562	164.0
534.8612060546875	156.0
536.9622192382812	144.0
537.0977783203125	200.0
537.4927368164062	220.0
537.6727294921875	172.0
537.7603759765625	144.0
538.7670288085938	148.0
540.1385498046875	132.0
542.2651977539062	168.0
542.4598388671875	168.0
546.2471313476562	144.0
546.5049438476562	176.0
548.4188842773438	156.0
548.586669921875	144.0
549.3284301757812	140.0
550.3101806640625	624.0
551.3414306640625	160.0
551.3816528320312	164.0
551.508056640625	136.0
551.6220703125	188.0
552.3193969726562	308.0
555.2308959960938	152.0
555.4911499023438	120.0
559.1160888671875	152.0
559.2572631835938	140.0
559.2984008789062	156.0
559.4051513671875	152.0
559.6697998046875	140.0
559.8599243164062	188.0
560.3120727539062	168.0
560.4026489257812	128.0
560.7550048828125	176.0
560.7960205078125	188.0
561.4189453125	112.0
562.1509399414062	228.0
562.3883666992188	168.0
562.5436401367188	100.0
563.0078125	124.0
563.4412231445312	148.0
563.8870849609375	108.0
564.0623779296875	128.0
564.1560668945312	164.0
564.3358764648438	128.0
564.5350341796875	168.0
564.6415405273438	204.0
564.8369750976562	132.0
564.8998413085938	236.0
565.0755615234375	104.0
565.5435180664062	308.0
565.92529296875	104.0
566.1940307617188	224.0
566.2725830078125	280.0
566.3228759765625	116.0
566.3688354492188	236.0
566.4349365234375	180.0
566.5145263671875	132.0
566.5507202148438	244.0
566.6038818359375	152.0
566.6536254882812	192.0
566.7352905273438	200.0
566.7969360351562	364.0
566.919189453125	240.0
566.9774169921875	140.0
567.0597534179688	256.0
567.114501953125	220.0
567.1942749023438	232.0
567.2354125976562	268.0
567.2946166992188	312.0
567.3516235351562	176.0
567.518798828125	228.0
567.56982421875	208.0
567.6471557617188	188.0
567.7188110351562	256.0
567.7567749023438	148.0
567.8082275390625	172.0
567.8851318359375	164.0
567.9481811523438	124.0
568.047119140625	528.0
568.0911254882812	432.0
568.1610717773438	472.0
568.32275390625	235064.0
568.6138305664062	392.0
568.651123046875	432.0
568.70556640625	196.0
568.7645874023438	356.0
568.8193969726562	224.0
568.912353515625	240.0
568.9744262695312	132.0
569.0376586914062	468.0
569.10498046875	4304.0
569.157470703125	372.0
569.206787109375	396.0
569.3251342773438	153452.0
569.44970703125	324.0
569.5064086914062	116.0
569.5458984375	192.0
569.6034545898438	336.0
569.6566162109375	212.0
569.7501831054688	260.0
569.8607788085938	112.0
569.8944702148438	368.0
569.9954833984375	280.0
570.0595092773438	124.0
570.1084594726562	476.0
570.1892700195312	348.0
570.2565307617188	596.0
570.3231201171875	46320.0
570.4575805664062	132.0
570.475830078125	140.0
570.5598754882812	272.0
570.6148071289062	108.0
570.6256103515625	100.0
570.6747436523438	268.0
570.708984375	288.0
570.794677734375	180.0
570.8744506835938	308.0
570.9349975585938	284.0
571.00732421875	188.0
571.080810546875	132.0
571.1289672851562	96.0
571.3223266601562	6932.0
571.444580078125	212.0
571.481201171875	96.0
571.5398559570312	176.0
571.6892700195312	128.0
571.7681884765625	136.0
571.876220703125	276.0
571.968994140625	280.0
572.025146484375	104.0
572.110107421875	148.0
572.1636962890625	188.0
572.2389526367188	116.0
572.32568359375	1588.0
572.4932250976562	232.0
572.5465698242188	324.0
572.5816650390625	264.0
572.6580810546875	216.0
572.7971801757812	180.0
572.8868408203125	128.0
572.9781494140625	116.0
573.0512084960938	168.0
573.1925048828125	156.0
573.2700805664062	128.0
573.349609375	188.0
573.4185791015625	108.0
573.48486328125	176.0
573.5430908203125	228.0
573.6641845703125	276.0
573.7186889648438	132.0
573.731201171875	208.0
573.7921142578125	232.0
573.9304809570312	188.0
574.0975341796875	180.0
574.2175903320312	128.0
574.2749633789062	112.0
574.35205078125	104.0
574.45947265625	152.0
574.6044311523438	212.0
576.03955078125	124.0
576.1978149414062	104.0
578.2760009765625	96.0
580.256103515625	96.0
580.63818359375	200.0
583.3828735351562	128.0
585.4295043945312	164.0
586.8541870117188	132.0
586.9539794921875	124.0
588.9646606445312	152.0
589.29248046875	140.0
617.3521728515625	140.0
680.852783203125	124.0
709.5770874023438	108.0
711.914794921875	124.0
844.9119873046875	148.0
889.3746337890625	144.0
892.1903076171875	180.0
1032.6826171875	128.0
1067.262939453125	152.0
1073.148193359375	160.0
1081.4453125	156.0
1211.143310546875	156.0
1216.669921875	156.0
1285.912353515625	212.0
1291.518310546875	204.0
1295.973876953125	236.0
1319.68994140625	164.0
1321.476318359375	272.0
1323.58984375	204.0
1332.351318359375	232.0
1344.6571044921875	204.0
1351.701904296875	216.0
1356.931640625	168.0
1361.943603515625	180.0
1362.98681640625	176.0
1364.3148193359375	168.0
1365.317138671875	152.0
1384.59375	236.0
1388.6551513671875	168.0
1390.4951171875	144.0
1396.342041015625	248.0
1405.34814453125	152.0
1406.609375	160.0
1407.60986328125	164.0
1445.261474609375	156.0
1448.6456298828125	204.0
1457.1878662109375	172.0
1460.7457275390625	212.0
1511.939208984375	196.0
1512.3726806640625	156.0
1521.7060546875	164.0
1531.7069091796875	172.0
1531.8704833984375	160.0
1533.9588623046875	168.0
1535.206298828125	164.0
1552.857421875	168.0
1560.9957275390625	164.0
1565.3529052734375	216.0
1565.6678466796875	176.0
1571.74560546875	188.0
1577.4398193359375	184.0
1601.7213134765625	184.0
1614.2994384765625	172.0
1620.791259765625	148.0
1623.2039794921875	140.0
1628.3720703125	184.0
1655.3642578125	140.0
1659.018310546875	160.0
1664.1051025390625	224.0
1667.5250244140625	164.0
1670.582275390625	168.0
1687.4720458984375	148.0
1713.629150390625	168.0
1739.9127197265625	176.0
1742.3148193359375	132.0
1756.1724853515625	152.0
1758.308349609375	180.0
1762.5087890625	200.0
1781.023193359375	216.0
1795.06103515625	148.0
1800.394287109375	164.0
1814.118408203125	148.0
1814.7625732421875	148.0
1816.984619140625	168.0
1820.507080078125	148.0
1824.7215576171875	164.0
1832.125732421875	156.0
1839.2578125	152.0
1844.1744384765625	168.0
1845.8243408203125	140.0
1856.0997314453125	180.0
1872.1517333984375	180.0
1874.0726318359375	160.0
1880.4022216796875	200.0
1887.564208984375	140.0
1888.5323486328125	148.0
1891.690673828125	168.0
1894.65234375	164.0
1903.06494140625	196.0
1903.994140625	156.0
1912.627685546875	148.0
1928.10888671875	172.0
1929.8048095703125	168.0
1937.9708251953125	196.0
1945.625244140625	164.0
1946.1278076171875	140.0
1959.10009765625	156.0
1962.2904052734375	180.0
1964.953857421875	160.0
1968.4403076171875	160.0
1973.715576171875	184.0
1974.0958251953125	208.0
1978.6217041015625	124.0
1980.1136474609375	152.0
1989.201904296875	176.0
1990.5958251953125	140.0
1998.878173828125	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078951
PEPMASS=509.260406
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=35.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ARGATROBAN [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)c2cccc3CC(C)CNc23
INCHI=InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1
INCHIAUX=KXNPVXPOPUZYGB-IOVMHBDKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078951
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078951
SCANS=1189
47.524051666259766	160.0
48.005489349365234	140.0
49.03137969970703	140.0
49.98365020751953	224.0
51.57206344604492	188.0
53.988101959228516	196.0
57.886085510253906	172.0
60.067134857177734	232.0
61.00555419921875	224.0
61.696163177490234	152.0
63.73250961303711	176.0
65.71315002441406	172.0
67.02162170410156	148.0
70.34673309326172	164.0
73.85150909423828	144.0
74.97607421875	248.0
75.63931274414062	148.0
75.79864501953125	148.0
79.78313446044922	140.0
88.68695831298828	148.0
88.97959899902344	156.0
90.61856079101562	172.0
92.22850799560547	180.0
92.99273681640625	192.0
95.06063079833984	152.0
95.19942474365234	164.0
97.90800476074219	196.0
98.10060119628906	240.0
100.05642700195312	212.0
101.0323257446289	184.0
101.85621643066406	152.0
103.27119445800781	148.0
104.04939270019531	120.0
106.06891632080078	152.0
106.77316284179688	140.0
108.0436019897461	376.0
108.2197036743164	144.0
109.19293212890625	240.0
112.08659362792969	3920.0
112.10926818847656	148.0
112.2589340209961	140.0
112.32732391357422	108.0
113.078857421875	148.0
113.10216522216797	168.0
113.62108612060547	172.0
114.05877685546875	144.0
115.08534240722656	288.0
116.07392883300781	188.0
117.37484741210938	172.0
118.01181030273438	164.0
120.0791244506836	164.0
125.0898666381836	192.0
126.09099578857422	568.0
127.89911651611328	188.0
129.1133270263672	1472.0
129.57470703125	152.0
130.06729125976562	168.0
130.0970916748047	396.0
130.1167449951172	180.0
131.07460021972656	148.0
132.07652282714844	144.0
132.72235107421875	268.0
133.05502319335938	156.0
133.09130859375	412.0
134.0532684326172	172.0
135.06459045410156	176.0
138.06448364257812	284.0
139.07460021972656	160.0
140.082275390625	184.0
142.086669921875	444.0
144.0783233642578	220.0
144.10272216796875	528.0
144.68577575683594	192.0
145.06568908691406	284.0
145.79632568359375	212.0
146.07078552246094	160.0
146.098388671875	2288.0
147.06556701660156	180.0
147.1041259765625	1388.0
148.1121368408203	872.0
149.04017639160156	228.0
149.11480712890625	312.0
150.09207153320312	508.0
154.0866241455078	200.0
154.14097595214844	152.0
155.0906219482422	580.0
156.10061645507812	284.0
156.84365844726562	144.0
157.01071166992188	224.0
157.1067657470703	1260.0
158.09153747558594	1704.0
159.09286499023438	172.0
160.0736541748047	168.0
160.46612548828125	192.0
161.0263214111328	152.0
161.0831298828125	2244.0
161.24612426757812	144.0
162.0911407470703	2464.0
163.09608459472656	224.0
165.14378356933594	164.0
167.15113830566406	172.0
168.11111450195312	160.0
169.77450561523438	172.0
173.1025848388672	368.0
174.11236572265625	180.0
175.119140625	964.0
176.10035705566406	148.0
176.12057495117188	232.0
177.03392028808594	184.0
177.13784790039062	400.0
178.0921173095703	160.0
178.14601135253906	236.0
179.15476989746094	1076.0
184.077880859375	188.0
188.1233673095703	156.0
191.0583038330078	160.0
192.0472412109375	140.0
192.41981506347656	140.0
193.0940399169922	164.0
193.13265991210938	272.0
194.06674194335938	324.0
194.16200256347656	484.0
195.0450439453125	632.0
195.07656860351562	184.0
195.1488037109375	536.0
195.30458068847656	180.0
196.04771423339844	160.0
196.17335510253906	148.0
197.04010009765625	144.0
197.2955780029297	164.0
198.6762237548828	168.0
199.12814331054688	168.0
203.80056762695312	236.0
205.78863525390625	144.0
208.14797973632812	288.0
209.0160675048828	196.0
209.06988525390625	8668.0
210.06044006347656	1372.0
211.06581115722656	600.0
211.66009521484375	168.0
211.9584503173828	140.0
212.05177307128906	256.0
212.07101440429688	324.0
215.15057373046875	200.0
216.1720428466797	212.0
216.37399291992188	160.0
218.1223907470703	156.0
219.04930114746094	144.0
220.0407257080078	576.0
221.04269409179688	172.0
221.1281280517578	164.0
221.1744842529297	356.0
222.03158569335938	140.0
222.1086883544922	168.0
222.158203125	568.0
223.14381408691406	636.0
224.09750366210938	232.0
224.1311492919922	136.0
225.15347290039062	156.0
226.1297149658203	156.0
227.08575439453125	216.0
227.1318359375	176.0
228.06875610351562	964.0
228.66116333007812	188.0
229.07066345214844	328.0
230.077880859375	196.0
231.06309509277344	172.0
232.95175170898438	204.0
233.8730926513672	192.0
233.9583282470703	140.0
236.18670654296875	296.0
236.43988037109375	164.0
237.0649871826172	10064.0
237.17544555664062	360.0
237.5270233154297	172.0
238.06748962402344	1024.0
238.1750946044922	184.0
239.06512451171875	360.0
239.1099090576172	160.0
239.1407928466797	744.0
239.19747924804688	160.0
239.9045867919922	260.0
240.06320190429688	120.0
240.14849853515625	348.0
240.17115783691406	388.0
241.1718292236328	304.0
242.7335662841797	184.0
243.16195678710938	196.0
244.15895080566406	180.0
249.70399475097656	164.0
252.21688842773438	200.0
253.06471252441406	180.0
254.1967010498047	392.0
255.0782928466797	608.0
255.19989013671875	152.0
256.07513427734375	172.0
260.1744689941406	184.0
263.14654541015625	148.0
264.84051513671875	188.0
265.1614990234375	116.0
265.9169616699219	152.0
266.1376647949219	136.0
268.14154052734375	172.0
269.1037292480469	116.0
269.1756896972656	172.0
275.11846923828125	152.0
280.0559387207031	168.0
280.1685485839844	124.0
282.1971130371094	832.0
283.1795654296875	408.0
283.2591857910156	248.0
283.8524169921875	156.0
284.1811218261719	152.0
286.1539001464844	244.0
287.2087707519531	168.0
289.1228332519531	184.0
293.86468505859375	140.0
298.18414306640625	152.0
299.11871337890625	176.0
301.2099609375	144.0
302.106689453125	144.0
303.18505859375	144.0
303.4365539550781	144.0
304.1107482910156	940.0
305.10845947265625	420.0
305.5585632324219	240.0
307.10870361328125	148.0
307.1401062011719	152.0
309.9999694824219	148.0
317.10479736328125	156.0
324.13201904296875	280.0
325.12030029296875	176.0
326.12982177734375	156.0
331.15740966796875	164.0
333.1274719238281	164.0
334.1544494628906	132.0
338.16253662109375	272.0
339.16204833984375	172.0
341.0747985839844	152.0
341.1446533203125	160.0
341.9575500488281	172.0
342.1629638671875	100.0
345.10418701171875	160.0
346.2550048828125	168.0
360.6111755371094	168.0
361.8935546875	144.0
362.1482238769531	144.0
362.5867614746094	236.0
366.1572265625	224.0
367.14208984375	676.0
367.2213134765625	160.0
368.1499938964844	212.0
369.13641357421875	152.0
373.1106262207031	156.0
376.7331848144531	172.0
377.75372314453125	236.0
378.7020263671875	184.0
382.15447998046875	500.0
383.0062255859375	108.0
383.0794372558594	136.0
383.4595642089844	168.0
383.65692138671875	116.0
384.1096496582031	104.0
384.1712951660156	39028.0
384.40399169921875	184.0
384.8141174316406	232.0
384.8463439941406	248.0
385.0819396972656	104.0
385.17291259765625	9548.0
385.5211181640625	108.0
385.7422790527344	108.0
385.78936767578125	168.0
386.08306884765625	104.0
386.170654296875	1812.0
387.1717834472656	564.0
387.4287109375	124.0
387.5514831542969	96.0
387.6295471191406	124.0
387.7493896484375	400.0
387.8233337402344	188.0
388.1252136230469	216.0
388.1691589355469	164.0
389.86566162109375	180.0
404.19586181640625	212.0
410.6718444824219	156.0
418.39532470703125	140.0
421.413330078125	148.0
422.9591369628906	204.0
424.5775146484375	204.0
426.85662841796875	144.0
434.2613525390625	180.0
437.5482482910156	168.0
443.35003662109375	140.0
448.75146484375	216.0
450.22412109375	192.0
450.79864501953125	140.0
463.106689453125	144.0
464.7099609375	180.0
468.9456787109375	144.0
472.2615966796875	172.0
472.82403564453125	232.0
473.5946960449219	180.0
475.1900939941406	136.0
481.2215576171875	148.0
483.08837890625	216.0
492.21832275390625	440.0
493.2242126464844	140.0
496.30987548828125	148.0
500.37078857421875	148.0
503.4206237792969	140.0
504.917724609375	180.0
505.2776184082031	104.0
505.6398620605469	136.0
507.0771789550781	208.0
507.2353210449219	288.0
507.3952331542969	160.0
507.48541259765625	104.0
507.66650390625	116.0
507.87127685546875	220.0
507.9987487792969	164.0
508.1444091796875	300.0
508.2381896972656	192.0
508.602294921875	172.0
508.6626281738281	176.0
508.7787170410156	236.0
508.8802795410156	136.0
509.0197448730469	144.0
509.07562255859375	112.0
509.1310119628906	336.0
509.2555847167969	85260.0
509.4088439941406	120.0
509.5203857421875	252.0
509.55230712890625	180.0
509.8653564453125	216.0
509.9401550292969	132.0
509.9925537109375	248.0
510.1556091308594	268.0
510.25714111328125	29008.0
510.3575744628906	184.0
510.4283142089844	100.0
510.59625244140625	156.0
510.6617126464844	148.0
510.77099609375	148.0
510.8468933105469	128.0
511.0765075683594	204.0
511.124755859375	104.0
511.171142578125	160.0
511.1783447265625	276.0
511.25567626953125	6100.0
511.3870544433594	156.0
511.4313659667969	96.0
511.7474060058594	156.0
512.0156860351562	104.0
512.257080078125	1948.0
512.4871215820312	144.0
512.6888427734375	144.0
512.7858276367188	140.0
512.92431640625	140.0
513.0530395507812	224.0
513.104736328125	120.0
513.2145385742188	116.0
513.24755859375	232.0
513.5260620117188	124.0
513.892822265625	156.0
514.3541259765625	192.0
514.861572265625	96.0
536.7178955078125	180.0
629.50244140625	148.0
639.02099609375	152.0
836.1356811523438	152.0
908.7457885742188	168.0
911.4777221679688	140.0
1569.1114501953125	168.0
1605.874267578125	208.0
1683.4521484375	196.0
1687.1043701171875	184.0
1729.8656005859375	156.0
1791.7236328125	164.0
1806.4378662109375	176.0
1822.4100341796875	148.0
1838.768310546875	184.0
1841.013671875	152.0
1893.5264892578125	176.0
1925.87255859375	164.0
1972.98193359375	184.0
1987.3206787109375	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078952
PEPMASS=255.133194
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=21.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ARGATROBAN [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)c2cccc3CC(C)CNc23
INCHI=InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1
INCHIAUX=KXNPVXPOPUZYGB-IOVMHBDKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078952
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078952
SCANS=1213
45.13722610473633	172.0
45.16798400878906	172.0
45.63871765136719	164.0
46.92657470703125	136.0
47.66688537597656	140.0
47.800270080566406	140.0
48.16976547241211	148.0
49.06904983520508	164.0
49.37345504760742	160.0
49.76862335205078	224.0
50.64439392089844	156.0
52.11810302734375	160.0
52.22592544555664	196.0
53.596923828125	160.0
54.065673828125	144.0
54.25315856933594	172.0
57.05024719238281	220.0
57.07881546020508	172.0
57.47044372558594	140.0
57.877037048339844	156.0
58.37018966674805	152.0
58.6365966796875	180.0
59.180419921875	152.0
60.59123611450195	144.0
61.40888595581055	140.0
62.6456413269043	140.0
62.86479949951172	140.0
64.21330261230469	224.0
64.24839782714844	160.0
64.68305969238281	160.0
64.91537475585938	140.0
66.07023620605469	180.0
67.21570587158203	140.0
67.55717468261719	140.0
67.6373519897461	152.0
69.72217559814453	172.0
70.3768310546875	176.0
71.31999969482422	160.0
72.23391723632812	208.0
74.27291870117188	188.0
76.70243072509766	152.0
77.66588592529297	180.0
79.01881408691406	244.0
79.39788055419922	192.0
79.47061157226562	244.0
80.49945068359375	164.0
82.5733642578125	176.0
83.88432312011719	208.0
84.94676208496094	228.0
87.44123840332031	144.0
88.04528045654297	176.0
88.24335479736328	144.0
88.486572265625	148.0
90.03223419189453	172.0
91.05433654785156	280.0
91.22591400146484	244.0
93.56562805175781	216.0
95.05390167236328	328.0
96.020751953125	204.0
96.22368621826172	216.0
96.32914733886719	172.0
97.45367431640625	144.0
98.06173706054688	216.0
98.0959243774414	272.0
99.09919738769531	188.0
99.79784393310547	180.0
103.75116729736328	156.0
104.02706146240234	148.0
104.04953002929688	2104.0
104.2281265258789	148.0
104.35211181640625	196.0
105.05394744873047	380.0
106.30279541015625	176.0
108.04544830322266	308.0
109.01006317138672	184.0
109.04955291748047	212.0
111.99556732177734	176.0
112.08528900146484	388.0
113.08928680419922	196.0
113.46210479736328	156.0
115.05342864990234	160.0
115.08758544921875	208.0
116.07068634033203	572.0
117.07127380371094	424.0
117.11477661132812	252.0
118.07090759277344	164.0
119.0854263305664	588.0
119.10092163085938	400.0
119.31707763671875	160.0
119.66082000732422	180.0
120.04649353027344	176.0
120.08356475830078	152.0
120.67534637451172	216.0
121.06702423095703	224.0
122.06109619140625	140.0
122.09532928466797	156.0
123.06143951416016	160.0
125.02763366699219	184.0
125.05656433105469	160.0
125.96630096435547	144.0
126.0914306640625	140.0
127.0991439819336	168.0
128.04779052734375	168.0
128.06356811523438	140.0
128.1559295654297	180.0
128.32496643066406	160.0
129.06822204589844	148.0
129.11981201171875	164.0
130.0648193359375	432.0
130.09886169433594	824.0
131.04869079589844	304.0
131.07347106933594	1544.0
132.03895568847656	216.0
132.07843017578125	804.0
133.0550994873047	620.0
133.08856201171875	848.0
134.062744140625	200.0
134.0996551513672	224.0
135.07186889648438	156.0
135.09695434570312	160.0
138.53770446777344	164.0
138.9362335205078	236.0
140.08343505859375	188.0
141.0648956298828	140.0
141.4790802001953	160.0
142.06442260742188	148.0
142.3041229248047	184.0
142.36822509765625	148.0
142.96253967285156	140.0
143.07382202148438	196.0
143.11964416503906	140.0
144.07496643066406	180.0
144.10292053222656	576.0
144.1333770751953	156.0
144.9253692626953	140.0
145.06427001953125	1552.0
145.58741760253906	200.0
145.8973846435547	140.0
146.06179809570312	664.0
146.0975341796875	17688.0
146.4873504638672	124.0
147.06768798828125	560.0
147.1029815673828	1900.0
147.1356658935547	152.0
148.07034301757812	316.0
148.10719299316406	556.0
149.0850372314453	744.0
150.0902862548828	1476.0
151.09552001953125	348.0
151.69223022460938	148.0
153.1074676513672	180.0
154.09051513671875	224.0
157.10874938964844	472.0
158.09271240234375	1208.0
158.86172485351562	176.0
159.06248474121094	148.0
160.07644653320312	688.0
161.04409790039062	168.0
161.08445739746094	6784.0
161.34384155273438	116.0
162.0661163330078	360.0
162.0922088623047	13012.0
162.13087463378906	308.0
162.89317321777344	164.0
163.0950164794922	2080.0
163.27188110351562	164.0
163.45248413085938	168.0
164.10276794433594	296.0
164.1274871826172	196.0
165.10667419433594	124.0
168.08799743652344	184.0
168.11380004882812	284.0
168.74147033691406	164.0
169.08551025390625	180.0
173.27528381347656	160.0
174.1146697998047	168.0
175.11915588378906	21816.0
175.19723510742188	160.0
176.08726501464844	172.0
176.12094116210938	876.0
177.12046813964844	208.0
177.14439392089844	192.0
177.4633026123047	164.0
178.08631896972656	424.0
179.15357971191406	208.0
180.5923309326172	152.0
182.32427978515625	152.0
185.10556030273438	232.0
186.9215545654297	224.0
187.5724639892578	200.0
189.16224670410156	180.0
190.03648376464844	140.0
191.22085571289062	164.0
192.5966796875	180.0
195.1044921875	164.0
195.15200805664062	176.0
197.09169006347656	160.0
197.88601684570312	144.0
201.24307250976562	168.0
206.92953491210938	232.0
210.0187530517578	216.0
210.05874633789062	8760.0
210.24234008789062	104.0
211.0598602294922	656.0
212.05970764160156	244.0
213.06402587890625	160.0
213.30812072753906	176.0
217.83749389648438	240.0
220.1466064453125	144.0
221.07484436035156	152.0
221.181396484375	180.0
222.154052734375	188.0
223.1453857421875	496.0
224.06190490722656	140.0
224.12979125976562	152.0
226.87709045410156	164.0
228.07003784179688	132.0
230.0870819091797	140.0
233.04608154296875	180.0
236.1860809326172	212.0
237.9542694091797	148.0
241.1555633544922	968.0
241.5661163330078	144.0
242.15892028808594	276.0
250.72103881835938	164.0
251.11016845703125	220.0
251.60739135742188	204.0
253.1757049560547	144.0
254.1678924560547	140.0
254.62184143066406	208.0
255.1048126220703	180.0
255.1331024169922	368.0
256.131591796875	280.0
256.2154541015625	152.0
256.26641845703125	148.0
256.6329650878906	220.0
256.9582824707031	140.0
257.2430419921875	168.0
258.18841552734375	140.0
258.25201416015625	164.0
263.91192626953125	148.0
282.0213317871094	208.0
282.1920166015625	716.0
283.0282897949219	148.0
283.1788024902344	688.0
284.1813049316406	132.0
285.1921081542969	196.0
299.1974792480469	368.0
300.204833984375	41788.0
300.4898681640625	96.0
300.5373840332031	204.0
300.6221008300781	152.0
300.7274475097656	128.0
300.7709655761719	468.0
300.9617614746094	116.0
301.2070617675781	7192.0
301.56402587890625	180.0
302.21002197265625	676.0
303.0315246582031	104.0
303.2156066894531	196.0
304.1191101074219	96.0
307.12982177734375	140.0
321.1003723144531	140.0
380.1328125	192.0
384.169189453125	444.0
385.177490234375	212.0
409.2133483886719	172.0
1230.1693115234375	152.0
1377.9375	200.0
1479.6956787109375	180.0
1491.9705810546875	156.0
1494.2547607421875	204.0
1500.431396484375	316.0
1505.9486083984375	216.0
1508.8155517578125	152.0
1530.5164794921875	144.0
1550.09130859375	208.0
1561.773193359375	180.0
1565.1494140625	168.0
1565.22021484375	168.0
1570.40576171875	164.0
1601.5712890625	152.0
1634.2738037109375	196.0
1643.604248046875	140.0
1654.822998046875	144.0
1664.203857421875	212.0
1681.0777587890625	152.0
1685.5933837890625	156.0
1689.6324462890625	196.0
1730.123291015625	156.0
1743.8099365234375	176.0
1752.4393310546875	220.0
1766.0548095703125	172.0
1780.109130859375	220.0
1788.92041015625	192.0
1798.46240234375	188.0
1815.272705078125	200.0
1836.64501953125	148.0
1850.6688232421875	172.0
1852.552978515625	212.0
1858.5028076171875	148.0
1860.67431640625	224.0
1869.2264404296875	188.0
1912.3680419921875	176.0
1925.5418701171875	192.0
1929.0718994140625	172.0
1930.0772705078125	152.0
1933.235107421875	176.0
1946.5595703125	148.0
1951.9373779296875	264.0
1971.5159912109375	272.0
1985.9559326171875	188.0
1992.4803466796875	168.0
1997.8944091796875	180.0
2002.06005859375	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078953
PEPMASS=350.129181
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=VORICONAZOLE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@@H](c1ncncc1F)[C@](O)(Cn2cncn2)c3ccc(F)cc3F
INCHI=InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
INCHIAUX=BCEHBSKCWLPMDN-MGPLVRAMSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078953
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078953
SCANS=1297
44.92749786376953	140.0
45.09975814819336	196.0
45.1933708190918	204.0
45.28171920776367	204.0
45.33530807495117	196.0
45.76381301879883	228.0
45.953857421875	156.0
46.10914611816406	144.0
46.161869049072266	156.0
46.261993408203125	152.0
46.35680389404297	184.0
46.49089431762695	168.0
46.62686538696289	164.0
46.64045715332031	160.0
46.78981018066406	172.0
46.822776794433594	176.0
46.86500549316406	192.0
46.95770263671875	144.0
47.012271881103516	176.0
47.232242584228516	200.0
47.53639221191406	148.0
47.6517333984375	164.0
47.80683517456055	140.0
48.22914505004883	168.0
48.30242919921875	156.0
48.343936920166016	180.0
48.39007568359375	168.0
48.41645812988281	176.0
48.85593032836914	204.0
48.93013381958008	312.0
49.01363754272461	132.0
49.0383415222168	212.0
49.110843658447266	200.0
49.14554214477539	156.0
49.15827941894531	164.0
49.17760467529297	184.0
49.21487808227539	168.0
49.27137756347656	204.0
49.40558624267578	216.0
49.4699592590332	196.0
49.559593200683594	192.0
49.69840621948242	144.0
49.77701187133789	160.0
49.87816619873047	156.0
49.90346908569336	220.0
49.97392272949219	132.0
50.34028244018555	168.0
50.4759407043457	164.0
50.60727310180664	196.0
50.634437561035156	180.0
50.69252014160156	184.0
50.849937438964844	160.0
50.94365310668945	144.0
51.11374282836914	172.0
51.33363723754883	140.0
51.566341400146484	152.0
51.90132141113281	168.0
52.28334045410156	124.0
52.4050407409668	132.0
52.48078155517578	176.0
52.5557861328125	144.0
52.60341262817383	160.0
52.93015670776367	140.0
53.038814544677734	152.0
53.05040740966797	176.0
53.4134407043457	156.0
53.59396743774414	176.0
53.612911224365234	164.0
54.080265045166016	188.0
54.22746276855469	152.0
54.363121032714844	176.0
54.46099853515625	144.0
54.48939895629883	184.0
54.55994415283203	144.0
54.65407180786133	148.0
54.95317459106445	184.0
55.1835823059082	152.0
55.34056091308594	164.0
55.38188171386719	184.0
55.58346939086914	172.0
55.6399040222168	160.0
56.16669845581055	168.0
56.26668167114258	184.0
56.44668197631836	196.0
56.594112396240234	192.0
56.729373931884766	236.0
56.8159294128418	160.0
56.97356033325195	204.0
57.146636962890625	168.0
57.184078216552734	160.0
57.247100830078125	116.0
57.27743148803711	172.0
57.30303955078125	152.0
57.37085723876953	144.0
57.47039794921875	168.0
57.66973876953125	140.0
57.82170867919922	156.0
58.07096862792969	156.0
58.18108367919922	176.0
58.40359878540039	156.0
58.43360137939453	172.0
58.46293640136719	144.0
58.49794387817383	164.0
58.5101203918457	148.0
58.70058059692383	176.0
58.72193145751953	160.0
58.81195068359375	144.0
58.90184783935547	160.0
59.22478485107422	200.0
59.281471252441406	212.0
59.292198181152344	172.0
59.52579879760742	160.0
59.61754608154297	168.0
59.846744537353516	184.0
59.931461334228516	228.0
60.019317626953125	160.0
60.21076202392578	136.0
60.27400588989258	164.0
60.32251739501953	176.0
60.450286865234375	144.0
60.4827880859375	296.0
60.51065444946289	176.0
60.546268463134766	156.0
60.69503402709961	192.0
60.72604751586914	176.0
61.29347610473633	180.0
61.348026275634766	148.0
61.593021392822266	172.0
61.661766052246094	244.0
61.68833923339844	156.0
61.733680725097656	168.0
61.76026916503906	152.0
62.03116226196289	172.0
62.28850555419922	180.0
62.30264663696289	160.0
62.36707305908203	152.0
62.53742599487305	156.0
62.861595153808594	244.0
62.9096794128418	172.0
62.94367599487305	160.0
63.119075775146484	156.0
63.19816207885742	144.0
63.24721908569336	140.0
63.575294494628906	180.0
63.61189270019531	136.0
63.77164077758789	156.0
63.80720138549805	176.0
63.84703826904297	356.0
63.91694641113281	168.0
64.32494354248047	204.0
64.83356475830078	140.0
64.98910522460938	204.0
65.03885650634766	152.0
65.15929412841797	172.0
65.47940063476562	172.0
65.5035629272461	156.0
65.61637115478516	148.0
65.8568115234375	148.0
66.04915618896484	180.0
66.177001953125	184.0
66.88155364990234	140.0
66.91249084472656	152.0
67.01020812988281	148.0
67.03634643554688	96.0
67.19117736816406	168.0
67.4058609008789	140.0
67.66622161865234	204.0
67.7895736694336	156.0
68.03728485107422	176.0
68.0750503540039	208.0
68.34956359863281	188.0
68.57697296142578	136.0
68.67740631103516	156.0
68.82752990722656	132.0
68.87877655029297	172.0
69.28507995605469	164.0
69.43766784667969	240.0
69.62711334228516	216.0
69.72212219238281	160.0
69.7819595336914	176.0
70.01325225830078	184.0
70.50373077392578	144.0
70.73621368408203	144.0
70.79983520507812	156.0
70.88451385498047	124.0
70.97746276855469	140.0
71.20905303955078	164.0
71.33338928222656	156.0
71.46624755859375	156.0
71.53752136230469	220.0
71.63797760009766	144.0
71.71211242675781	160.0
71.74935913085938	128.0
71.8520736694336	140.0
71.88751220703125	144.0
72.10536193847656	148.0
72.2220230102539	160.0
72.2575454711914	172.0
72.29815673828125	172.0
72.36184692382812	172.0
72.49799346923828	192.0
73.01577758789062	148.0
73.08212280273438	172.0
73.38700103759766	144.0
73.57979583740234	208.0
73.71643829345703	208.0
73.84123992919922	180.0
73.87031555175781	204.0
73.9798355102539	216.0
74.46016693115234	124.0
74.52521514892578	148.0
74.54755401611328	256.0
74.59223937988281	168.0
74.7711181640625	140.0
75.05363464355469	208.0
75.23155975341797	156.0
75.46456909179688	208.0
75.60987854003906	184.0
75.66873168945312	164.0
75.68777465820312	176.0
75.8835678100586	148.0
76.02406311035156	144.0
76.06571960449219	288.0
76.1872787475586	212.0
76.22029113769531	148.0
76.26460266113281	208.0
76.44808959960938	152.0
76.57659912109375	196.0
76.59956359863281	248.0
76.63788604736328	164.0
77.17023468017578	188.0
77.31016540527344	140.0
77.41520690917969	180.0
77.44322204589844	144.0
77.7163314819336	248.0
77.85010528564453	156.0
78.33202362060547	180.0
78.78361511230469	204.0
78.81304931640625	200.0
79.02228546142578	160.0
79.20545196533203	240.0
79.2347412109375	244.0
79.2896728515625	140.0
79.81157684326172	224.0
79.8248291015625	120.0
79.86769104003906	204.0
79.91295623779297	152.0
80.40119934082031	188.0
80.44046783447266	176.0
80.59406280517578	168.0
80.6423110961914	172.0
80.73150634765625	148.0
80.88019561767578	220.0
80.96971893310547	180.0
81.16035461425781	168.0
81.21347045898438	148.0
81.30138397216797	204.0
81.33907318115234	156.0
81.6482925415039	152.0
82.42506408691406	144.0
82.53170776367188	180.0
82.56607055664062	240.0
82.58234405517578	172.0
82.66737365722656	176.0
82.93360137939453	148.0
83.05508422851562	152.0
83.16907501220703	180.0
83.21115112304688	148.0
83.30195617675781	160.0
83.54554748535156	160.0
83.8077163696289	148.0
83.98819732666016	152.0
84.14148712158203	140.0
84.8568344116211	144.0
85.01457977294922	168.0
85.07698822021484	184.0
85.34353637695312	156.0
85.41694641113281	176.0
85.59178924560547	156.0
85.90509796142578	144.0
86.08782196044922	216.0
86.224365234375	224.0
86.24301147460938	144.0
86.31511688232422	156.0
86.3682632446289	152.0
86.43534851074219	156.0
86.5556640625	164.0
86.59085083007812	176.0
86.85960388183594	192.0
86.94124603271484	172.0
87.36673736572266	164.0
87.47467041015625	164.0
87.6926040649414	144.0
87.70938110351562	148.0
88.19029235839844	172.0
88.3985366821289	140.0
88.45842742919922	168.0
89.48155975341797	168.0
89.50980377197266	232.0
89.52298736572266	156.0
89.86227416992188	140.0
90.29485321044922	160.0
90.4140396118164	144.0
90.55603790283203	168.0
90.72354888916016	188.0
90.7625961303711	184.0
90.87260437011719	168.0
90.8858871459961	156.0
90.96660614013672	180.0
91.00736236572266	160.0
91.22859191894531	120.0
91.24675750732422	152.0
91.3399429321289	196.0
91.79130554199219	144.0
92.25836181640625	180.0
92.2896728515625	144.0
92.32255554199219	204.0
92.37956237792969	224.0
92.48226165771484	180.0
92.89485931396484	208.0
92.95166015625	184.0
92.97737121582031	148.0
93.32890319824219	204.0
93.43083953857422	180.0
93.76973724365234	144.0
93.8314208984375	148.0
94.11200714111328	204.0
94.77843475341797	172.0
94.7959213256836	212.0
94.962646484375	156.0
95.05964660644531	156.0
95.14116668701172	208.0
95.191650390625	172.0
95.24214172363281	240.0
95.50065612792969	224.0
95.63684844970703	168.0
96.07723999023438	172.0
96.2314224243164	144.0
96.43067169189453	172.0
96.4521713256836	200.0
96.53428649902344	148.0
96.5636215209961	232.0
96.62501525878906	124.0
97.00875091552734	144.0
97.05711364746094	148.0
97.22581481933594	144.0
97.35930633544922	192.0
97.44227600097656	128.0
97.54916381835938	156.0
97.9217758178711	292.0
98.0387954711914	272.0
98.36344146728516	152.0
98.45623779296875	160.0
98.48783874511719	184.0
98.58464813232422	140.0
98.6399917602539	180.0
98.69930267333984	152.0
98.86150360107422	156.0
98.89805603027344	196.0
99.03495025634766	276.0
99.10525512695312	124.0
99.49974822998047	184.0
99.5643310546875	168.0
99.61492919921875	236.0
99.80572509765625	148.0
99.96286010742188	188.0
100.03217315673828	180.0
100.05593872070312	1196.0
100.10818481445312	140.0
100.46403503417969	168.0
100.49687194824219	188.0
100.64246368408203	132.0
100.7024917602539	156.0
100.88432312011719	216.0
100.99829864501953	200.0
101.01943969726562	592.0
101.06031799316406	168.0
101.44283294677734	172.0
101.74977111816406	308.0
101.90039825439453	140.0
102.02098083496094	152.0
102.15773010253906	140.0
102.29177856445312	228.0
102.4194107055664	224.0
102.53627014160156	180.0
102.70966339111328	200.0
102.75202941894531	144.0
102.78834533691406	172.0
103.0205307006836	140.0
103.05867767333984	172.0
103.1336898803711	172.0
103.16805267333984	180.0
103.42090606689453	200.0
103.57479095458984	208.0
103.61935424804688	164.0
103.89913177490234	168.0
103.92823791503906	104.0
104.1224136352539	152.0
104.18740844726562	176.0
104.28697967529297	236.0
104.57172393798828	140.0
104.67351531982422	148.0
104.83647918701172	144.0
104.95893096923828	172.0
105.0016098022461	160.0
105.04633331298828	164.0
105.27507781982422	244.0
105.52640533447266	172.0
105.54889678955078	228.0
105.58979797363281	156.0
105.63479614257812	144.0
105.72891235351562	156.0
105.87017059326172	160.0
105.90498352050781	144.0
106.26577758789062	156.0
107.03028106689453	408.0
107.13954162597656	192.0
107.26318359375	228.0
107.30647277832031	140.0
107.51359558105469	232.0
107.57672882080078	152.0
107.77085876464844	160.0
107.89073181152344	236.0
107.93621826171875	168.0
107.97137451171875	144.0
107.99826049804688	236.0
108.05834197998047	192.0
108.25489044189453	236.0
108.51182556152344	160.0
108.57196044921875	208.0
108.6445541381836	140.0
108.67964172363281	140.0
109.11182403564453	208.0
109.13509368896484	208.0
109.41349029541016	168.0
109.54997253417969	144.0
109.57066345214844	196.0
109.5988540649414	148.0
109.6220703125	120.0
109.7327651977539	144.0
109.9074478149414	156.0
109.98883819580078	244.0
110.5919189453125	272.0
110.66525268554688	200.0
110.7059555053711	172.0
110.93433380126953	156.0
110.98255157470703	164.0
111.005615234375	164.0
111.0265884399414	184.0
111.04756164550781	160.0
111.18602752685547	216.0
111.62718200683594	172.0
111.8417739868164	176.0
112.0186538696289	176.0
112.04124450683594	536.0
112.1429672241211	152.0
112.26947021484375	192.0
112.35594940185547	208.0
112.55856323242188	156.0
112.62820434570312	160.0
112.79096221923828	200.0
112.99819946289062	204.0
113.3094253540039	160.0
113.55683898925781	184.0
113.65714263916016	176.0
113.70382690429688	140.0
113.73141479492188	192.0
113.89981079101562	104.0
113.99901580810547	156.0
114.36055755615234	220.0
114.43293762207031	140.0
114.58202362060547	180.0
114.6097183227539	192.0
114.77810668945312	160.0
114.88821411132812	100.0
115.0305404663086	408.0
115.17505645751953	172.0
115.30110931396484	148.0
115.41654968261719	208.0
115.55985260009766	188.0
115.57910919189453	140.0
115.8381576538086	196.0
115.86290740966797	292.0
115.9581527709961	180.0
116.12323760986328	172.0
116.151123046875	188.0
116.24444580078125	104.0
116.470947265625	196.0
116.6265869140625	212.0
116.80452728271484	148.0
116.89232635498047	168.0
116.98271942138672	180.0
117.04299926757812	180.0
117.22825622558594	168.0
117.29290771484375	168.0
117.53229522705078	172.0
117.61646270751953	176.0
117.67475128173828	156.0
118.07450866699219	204.0
118.4423828125	128.0
118.47016906738281	172.0
118.5767822265625	280.0
118.75240325927734	140.0
118.96259307861328	184.0
119.21916961669922	148.0
119.42135620117188	160.0
119.54753875732422	168.0
119.60973358154297	160.0
120.13581848144531	176.0
120.18382263183594	144.0
120.41303253173828	148.0
120.83709716796875	172.0
120.97935485839844	228.0
120.99686431884766	180.0
121.04722595214844	160.0
121.16111755371094	260.0
121.1895980834961	168.0
121.38906860351562	188.0
121.55880737304688	148.0
121.79008483886719	160.0
121.90011596679688	316.0
121.9269027709961	160.0
122.02582550048828	168.0
122.564697265625	260.0
122.61134338378906	276.0
122.64881134033203	160.0
123.16001892089844	164.0
123.23094940185547	192.0
123.50995635986328	220.0
124.07829284667969	240.0
124.19271850585938	176.0
124.24317932128906	192.0
124.39273071289062	204.0
124.65615844726562	172.0
124.68282318115234	148.0
124.76958465576172	128.0
124.86067962646484	140.0
124.94965362548828	164.0
124.98970031738281	144.0
125.05106353759766	5392.0
125.08309173583984	108.0
125.2342529296875	160.0
125.48639678955078	196.0
125.50555419921875	264.0
125.5666732788086	180.0
125.98631286621094	156.0
126.00753784179688	216.0
126.05875396728516	4788.0
126.20226287841797	128.0
126.33952331542969	180.0
126.40888977050781	252.0
126.56781768798828	144.0
126.68687438964844	100.0
126.7492446899414	144.0
126.79031372070312	208.0
126.82930755615234	160.0
126.90706634521484	284.0
126.954345703125	148.0
126.99675750732422	328.0
127.03660583496094	106936.0
127.06747436523438	119472.0
127.16497802734375	180.0
127.20073699951172	208.0
127.26364135742188	152.0
127.30619812011719	240.0
127.32791137695312	168.0
127.36856842041016	272.0
127.40470886230469	312.0
127.43571472167969	740.0
127.51821899414062	112.0
127.54248046875	200.0
127.65689849853516	124.0
127.76512908935547	120.0
127.82386779785156	128.0
128.03952026367188	6972.0
128.06971740722656	7380.0
128.1267547607422	120.0
128.14576721191406	112.0
128.21441650390625	144.0
128.46771240234375	200.0
128.54721069335938	152.0
128.57073974609375	164.0
128.5887908935547	176.0
128.69390869140625	220.0
128.7197265625	208.0
128.80979919433594	124.0
128.88270568847656	132.0
128.94186401367188	128.0
128.97854614257812	220.0
129.02137756347656	264.0
129.04437255859375	168.0
129.0690460205078	148.0
129.10211181640625	196.0
129.1694793701172	176.0
129.20233154296875	140.0
129.30618286132812	144.0
129.39700317382812	156.0
130.1672821044922	180.0
130.74636840820312	172.0
131.1160430908203	136.0
131.36383056640625	192.0
131.42933654785156	168.0
131.75648498535156	208.0
132.4450225830078	204.0
132.65126037597656	156.0
132.72691345214844	188.0
132.78033447265625	164.0
132.824462890625	120.0
132.8633575439453	172.0
133.09632873535156	184.0
133.22955322265625	188.0
133.60769653320312	124.0
133.99794006347656	188.0
134.04086303710938	312.0
134.1454315185547	184.0
134.2040557861328	184.0
134.77780151367188	148.0
136.29367065429688	204.0
136.45587158203125	140.0
136.5875244140625	124.0
136.9055938720703	188.0
137.03073120117188	140.0
137.05079650878906	104.0
137.1239471435547	188.0
137.32911682128906	176.0
137.8420867919922	120.0
137.98062133789062	172.0
138.05372619628906	164.0
138.22061157226562	144.0
138.29173278808594	236.0
138.3446044921875	204.0
138.3889617919922	172.0
138.4884033203125	140.0
138.6055450439453	192.0
139.03150939941406	272.0
139.06515502929688	1776.0
139.2295379638672	156.0
139.2788543701172	148.0
139.4456787109375	156.0
139.5044403076172	148.0
139.59765625	120.0
139.61964416503906	172.0
139.6761016845703	160.0
139.81871032714844	160.0
140.0304412841797	516.0
140.0732879638672	1220.0
140.67758178710938	144.0
140.8712158203125	164.0
141.0147247314453	2328.0
141.05079650878906	168.0
141.1051788330078	140.0
141.43399047851562	144.0
141.6509246826172	156.0
142.01197814941406	152.0
142.04432678222656	284.0
142.11175537109375	172.0
142.19955444335938	140.0
142.34283447265625	136.0
142.81016540527344	164.0
142.8934326171875	156.0
143.02552795410156	452.0
143.59852600097656	340.0
143.64144897460938	164.0
143.74642944335938	152.0
144.3466796875	200.0
144.43087768554688	228.0
144.7144775390625	140.0
145.040283203125	168.0
145.0716094970703	160.0
145.1026153564453	176.0
145.200927734375	184.0
145.58970642089844	196.0
146.9545440673828	212.0
147.66473388671875	200.0
148.1924591064453	284.0
148.27255249023438	140.0
148.41461181640625	152.0
149.57371520996094	156.0
149.78611755371094	164.0
149.84457397460938	172.0
150.11026000976562	172.0
150.68325805664062	148.0
151.03341674804688	192.0
151.12974548339844	172.0
151.15330505371094	144.0
151.36135864257812	216.0
151.49362182617188	140.0
152.0330352783203	240.0
152.2637939453125	144.0
152.7037353515625	152.0
153.04595947265625	168.0
153.2354278564453	156.0
153.35755920410156	208.0
153.42591857910156	124.0
153.64715576171875	212.0
153.84458923339844	160.0
153.93594360351562	148.0
154.04647827148438	5208.0
154.133544921875	180.0
154.90792846679688	168.0
154.93270874023438	188.0
155.03062438964844	15492.0
155.15748596191406	108.0
155.28077697753906	104.0
155.7935333251953	184.0
156.0340118408203	1072.0
156.08432006835938	164.0
156.5322265625	140.0
156.66172790527344	200.0
157.0374298095703	380.0
157.21026611328125	320.0
157.29263305664062	184.0
157.39498901367188	200.0
157.46275329589844	148.0
157.5073699951172	148.0
158.04420471191406	136.0
158.44544982910156	164.0
158.4654998779297	152.0
159.0794219970703	160.0
159.25392150878906	148.0
159.28582763671875	184.0
159.3612060546875	156.0
159.6728973388672	192.0
160.3703155517578	156.0
161.64202880859375	212.0
161.800048828125	156.0
161.8557586669922	168.0
161.9393310546875	156.0
162.08372497558594	216.0
162.2006072998047	132.0
162.46656799316406	144.0
162.51223754882812	148.0
162.52999877929688	252.0
163.05056762695312	144.0
163.4091033935547	196.0
163.6967315673828	140.0
163.83973693847656	164.0
164.0402069091797	144.0
164.07382202148438	172.0
164.09677124023438	200.0
164.20896911621094	148.0
164.6555938720703	140.0
165.05140686035156	332.0
166.0511932373047	924.0
166.17868041992188	176.0
166.3437957763672	120.0
166.37115478515625	148.0
166.5699462890625	104.0
166.78472900390625	160.0
167.06289672851562	1028.0
167.11904907226562	164.0
167.4202117919922	148.0
167.51036071777344	148.0
167.66236877441406	232.0
167.75001525878906	208.0
167.76805114746094	264.0
167.8218536376953	152.0
168.07496643066406	124.0
168.40798950195312	184.0
169.0579833984375	2012.0
169.7396697998047	112.0
169.79930114746094	132.0
170.03988647460938	120.0
170.0579833984375	268.0
170.3310089111328	208.0
171.28570556640625	160.0
171.4174041748047	140.0
172.16839599609375	168.0
172.70993041992188	140.0
173.07086181640625	160.0
173.10227966308594	152.0
173.4376220703125	192.0
173.81263732910156	160.0
173.8992462158203	204.0
174.21316528320312	188.0
174.74539184570312	172.0
174.95330810546875	156.0
175.21929931640625	152.0
175.63357543945312	152.0
175.66217041015625	148.0
176.32754516601562	168.0
176.88034057617188	148.0
177.03919982910156	164.0
177.0612030029297	160.0
177.40748596191406	168.0
178.06553649902344	160.0
178.58380126953125	172.0
178.6795654296875	172.0
179.3140106201172	156.0
179.53192138671875	148.0
179.8760986328125	160.0
180.0149383544922	252.0
180.50662231445312	160.0
180.96951293945312	140.0
181.08810424804688	140.0
181.96388244628906	164.0
182.0742950439453	168.0
182.20591735839844	144.0
182.53919982910156	164.0
182.60374450683594	176.0
183.38453674316406	160.0
183.61639404296875	140.0
183.74317932128906	156.0
183.78268432617188	124.0
184.57235717773438	144.0
184.83743286132812	144.0
184.88885498046875	144.0
184.9186248779297	144.0
186.0679473876953	188.0
186.11129760742188	124.0
186.22816467285156	148.0
186.3938751220703	180.0
186.8125762939453	144.0
186.98944091796875	172.0
187.30255126953125	268.0
187.98141479492188	144.0
188.33358764648438	148.0
188.60682678222656	140.0
188.9705352783203	192.0
189.05091857910156	220.0
189.23739624023438	216.0
189.39212036132812	144.0
189.85528564453125	144.0
189.92660522460938	160.0
190.57997131347656	156.0
190.67889404296875	160.0
190.69813537597656	160.0
190.78424072265625	136.0
190.8615264892578	124.0
190.90158081054688	184.0
191.19715881347656	204.0
191.51805114746094	184.0
192.04449462890625	188.0
192.18519592285156	148.0
192.42530822753906	172.0
192.61383056640625	164.0
193.716796875	180.0
193.77220153808594	180.0
194.04104614257812	168.0
194.7194061279297	240.0
194.87088012695312	212.0
195.13214111328125	168.0
195.49929809570312	156.0
195.685791015625	204.0
196.06515502929688	168.0
196.1370849609375	180.0
196.2698974609375	144.0
196.477294921875	144.0
196.594482421875	140.0
196.6558837890625	184.0
197.05296325683594	3124.0
197.14613342285156	140.0
197.25921630859375	212.0
197.54327392578125	156.0
197.5948028564453	184.0
197.69552612304688	172.0
198.02027893066406	176.0
198.06024169921875	496.0
198.27243041992188	188.0
198.320068359375	180.0
198.46585083007812	172.0
198.79579162597656	192.0
198.8220977783203	152.0
199.38658142089844	180.0
199.76898193359375	196.0
200.09542846679688	212.0
200.81680297851562	152.0
201.09048461914062	156.0
201.74014282226562	208.0
201.88999938964844	140.0
202.35777282714844	204.0
203.03521728515625	224.0
203.86399841308594	96.0
203.92274475097656	148.0
204.06045532226562	180.0
204.36634826660156	160.0
204.41188049316406	164.0
205.35484313964844	148.0
205.8932647705078	196.0
206.05136108398438	152.0
206.08277893066406	208.0
206.18850708007812	200.0
206.72900390625	276.0
207.56480407714844	192.0
207.83221435546875	148.0
208.04225158691406	172.0
208.54727172851562	144.0
208.59326171875	204.0
208.6536407470703	232.0
209.0563201904297	164.0
209.48532104492188	152.0
210.97438049316406	148.0
211.32142639160156	220.0
211.6079559326172	200.0
212.2926483154297	200.0
212.36138916015625	164.0
212.4077911376953	164.0
212.6892547607422	172.0
212.7821502685547	152.0
212.83441162109375	180.0
213.24981689453125	140.0
213.7238311767578	164.0
213.84896850585938	248.0
213.89881896972656	124.0
214.38775634765625	148.0
215.0439453125	208.0
215.5520782470703	200.0
215.6240997314453	112.0
215.87948608398438	160.0
216.06454467773438	160.0
216.1099090576172	216.0
216.29200744628906	164.0
216.90420532226562	172.0
217.00387573242188	140.0
217.06837463378906	128.0
217.50257873535156	160.0
217.76683044433594	164.0
218.06166076660156	108.0
218.23995971679688	140.0
218.4069366455078	128.0
218.5693817138672	168.0
219.12109375	116.0
219.21426391601562	156.0
219.29383850097656	176.0
219.31741333007812	172.0
219.5001983642578	156.0
219.60377502441406	160.0
219.6623992919922	156.0
219.82467651367188	184.0
220.35025024414062	172.0
220.50094604492188	160.0
220.53680419921875	132.0
220.77598571777344	120.0
221.0421142578125	152.0
221.0983428955078	192.0
221.2581787109375	192.0
222.0397186279297	164.0
222.51966857910156	136.0
222.78843688964844	144.0
222.8330078125	176.0
222.92510986328125	148.0
223.06568908691406	200.0
223.10345458984375	220.0
223.14585876464844	152.0
223.1900634765625	140.0
223.21250915527344	144.0
223.27293395996094	160.0
223.3443145751953	276.0
223.39744567871094	148.0
223.59274291992188	144.0
223.68484497070312	260.0
223.71328735351562	152.0
223.73915100097656	160.0
223.8384246826172	128.0
223.91661071777344	228.0
223.94708251953125	124.0
223.97140502929688	176.0
224.00758361816406	140.0
224.06427001953125	206564.0
224.1375274658203	196.0
224.2476043701172	156.0
224.27020263671875	128.0
224.28660583496094	292.0
224.3092498779297	372.0
224.35557556152344	368.0
224.413818359375	116.0
224.43417358398438	192.0
224.47169494628906	184.0
224.517333984375	108.0
224.55325317382812	1420.0
224.59024047851562	116.0
224.6548309326172	300.0
224.7502899169922	124.0
224.80270385742188	140.0
224.95274353027344	108.0
224.99827575683594	104.0
225.02813720703125	204.0
225.0661163330078	20140.0
225.14012145996094	104.0
225.22760009765625	304.0
225.37130737304688	156.0
225.43231201171875	172.0
225.50311279296875	276.0
225.58616638183594	184.0
225.63555908203125	168.0
225.66339111328125	100.0
225.7541046142578	140.0
225.88551330566406	184.0
225.91732788085938	176.0
226.00238037109375	168.0
226.0695037841797	1752.0
226.26702880859375	180.0
226.39295959472656	224.0
226.44580078125	172.0
226.4583282470703	140.0
226.49134826660156	208.0
226.54466247558594	216.0
226.57498168945312	112.0
226.6676788330078	244.0
226.7243194580078	256.0
226.8466796875	196.0
226.9681396484375	140.0
227.0508270263672	144.0
227.13180541992188	184.0
227.2998046875	164.0
227.4348602294922	148.0
227.53692626953125	208.0
227.73590087890625	136.0
228.65003967285156	128.0
229.05787658691406	120.0
229.1549835205078	152.0
229.28921508789062	100.0
229.4352569580078	160.0
229.7566680908203	104.0
229.88165283203125	152.0
229.98728942871094	164.0
230.1231231689453	148.0
230.16238403320312	156.0
230.6155242919922	180.0
231.0782012939453	176.0
231.18043518066406	96.0
231.6685333251953	172.0
231.7291259765625	144.0
232.08677673339844	168.0
233.0094451904297	164.0
233.0882110595703	640.0
233.1431427001953	160.0
233.3984832763672	176.0
233.68438720703125	172.0
233.8822021484375	168.0
234.09263610839844	164.0
234.52487182617188	228.0
234.59803771972656	152.0
234.72608947753906	144.0
234.78761291503906	112.0
234.91822814941406	196.0
234.942626953125	140.0
235.04779052734375	420.0
235.12884521484375	136.0
235.17149353027344	160.0
235.3516082763672	144.0
235.52261352539062	148.0
235.64877319335938	136.0
236.0718536376953	372.0
236.3235626220703	152.0
236.64187622070312	140.0
237.06764221191406	144.0
237.4079132080078	148.0
237.82516479492188	196.0
237.8804168701172	144.0
237.9080352783203	164.0
238.05848693847656	112.0
238.5097198486328	124.0
240.02479553222656	200.0
240.56163024902344	168.0
240.8086395263672	156.0
241.1041259765625	172.0
241.5164337158203	140.0
241.56593322753906	224.0
241.66183471679688	168.0
243.07720947265625	696.0
244.134033203125	172.0
244.17135620117188	164.0
244.44503784179688	180.0
244.56336975097656	184.0
245.2569580078125	124.0
245.90357971191406	216.0
246.0534210205078	144.0
246.4063262939453	164.0
246.6219482421875	220.0
246.67507934570312	156.0
247.14732360839844	252.0
247.83096313476562	140.0
248.05657958984375	3208.0
249.0156707763672	152.0
249.05772399902344	504.0
249.2773895263672	260.0
249.8643798828125	140.0
249.92730712890625	168.0
250.8354034423828	128.0
251.07789611816406	656.0
251.28211975097656	160.0
251.8722686767578	136.0
252.07968139648438	268.0
252.3243408203125	176.0
252.93804931640625	252.0
253.09217834472656	392.0
253.29269409179688	208.0
253.76487731933594	144.0
253.9519805908203	152.0
254.0821533203125	100.0
255.54029846191406	144.0
255.63575744628906	140.0
255.68348693847656	224.0
255.7885284423828	152.0
256.5466613769531	148.0
256.5849304199219	184.0
256.6678161621094	140.0
257.9288635253906	144.0
258.2358093261719	176.0
258.3765563964844	204.0
259.08197021484375	140.0
259.5199279785156	168.0
259.6578369140625	164.0
260.92919921875	124.0
261.0779113769531	472.0
261.6275329589844	140.0
261.9044494628906	180.0
262.0639953613281	160.0
262.2266540527344	220.0
262.3878173828125	152.0
263.0792236328125	12928.0
264.08087158203125	1580.0
264.2229309082031	196.0
265.08447265625	240.0
265.1515197753906	156.0
265.401123046875	144.0
265.56976318359375	144.0
265.8860168457031	160.0
265.9898376464844	156.0
266.5062255859375	120.0
266.6541748046875	200.0
266.7386779785156	148.0
266.9825439453125	140.0
267.0605773925781	172.0
267.61053466796875	140.0
267.6398620605469	284.0
267.8352355957031	180.0
268.23602294921875	148.0
268.36968994140625	140.0
269.88470458984375	164.0
269.93048095703125	168.0
270.11883544921875	148.0
270.5684814453125	152.0
270.974609375	212.0
271.5613708496094	152.0
271.6728820800781	148.0
272.22430419921875	140.0
272.84527587890625	164.0
273.0754699707031	216.0
273.2004699707031	164.0
274.2508850097656	168.0
274.98309326171875	140.0
275.0260009765625	160.0
275.51470947265625	140.0
276.41070556640625	140.0
276.64923095703125	116.0
277.46942138671875	192.0
277.6663513183594	120.0
277.8641357421875	200.0
277.9010314941406	164.0
278.0145568847656	196.0
278.20709228515625	204.0
278.4129333496094	156.0
278.7859191894531	176.0
279.4729309082031	136.0
279.5450439453125	204.0
279.6614074707031	148.0
279.75067138671875	108.0
279.8028259277344	200.0
280.03912353515625	124.0
280.11688232421875	180.0
280.1783752441406	228.0
280.21630859375	128.0
280.315673828125	128.0
280.344482421875	268.0
280.43682861328125	144.0
280.50006103515625	276.0
280.55853271484375	116.0
280.6020812988281	180.0
280.6534118652344	120.0
280.7115783691406	392.0
280.769775390625	116.0
280.80230712890625	240.0
280.8257751464844	136.0
280.8381652832031	344.0
280.860595703125	316.0
280.9096374511719	468.0
280.96588134765625	204.0
281.0426330566406	512.0
281.0916442871094	270640.0
281.171630859375	192.0
281.2116394042969	156.0
281.3172607421875	384.0
281.4013671875	308.0
281.4552307128906	252.0
281.5758361816406	116.0
281.6017761230469	344.0
281.6410827636719	7964.0
281.6909484863281	444.0
281.7235107421875	112.0
281.7684326171875	168.0
281.8930358886719	240.0
281.9238586425781	168.0
282.00048828125	280.0
282.04962158203125	152.0
282.0937194824219	65884.0
282.21942138671875	152.0
282.256103515625	260.0
282.3221740722656	96.0
282.46160888671875	96.0
282.5337829589844	328.0
282.6889343261719	224.0
282.7602844238281	120.0
282.78863525390625	248.0
283.0963439941406	6852.0
283.40826416015625	116.0
283.5252990722656	144.0
283.5514221191406	156.0
283.6667785644531	192.0
283.69427490234375	208.0
283.70489501953125	232.0
283.7930908203125	348.0
283.82916259765625	116.0
283.8620300292969	224.0
283.9092102050781	220.0
283.91796875	244.0
283.95086669921875	504.0
283.9734802246094	380.0
283.99835205078125	204.0
284.04229736328125	252.0
284.0702209472656	280.0
284.09649658203125	624.0
284.16217041015625	400.0
284.23760986328125	200.0
284.31378173828125	132.0
284.3345947265625	192.0
284.37017822265625	120.0
284.4331359863281	108.0
284.5835876464844	108.0
284.7371826171875	180.0
284.8414001464844	116.0
284.8916320800781	140.0
285.078857421875	108.0
285.10205078125	140.0
285.8503723144531	140.0
286.0832824707031	168.0
286.9457092285156	164.0
287.3212585449219	156.0
287.6871643066406	108.0
288.5473937988281	96.0
289.10748291015625	172.0
290.4952087402344	124.0
290.69171142578125	96.0
291.1041564941406	196.0
291.6834411621094	160.0
292.7193908691406	160.0
292.9986877441406	140.0
293.0498046875	164.0
293.3258361816406	140.0
294.07989501953125	108.0
295.07794189453125	164.0
297.14239501953125	116.0
297.39337158203125	96.0
297.5863037109375	124.0
297.9353332519531	204.0
299.0179748535156	216.0
299.9932556152344	172.0
303.80413818359375	216.0
303.9671936035156	200.0
306.09454345703125	160.0
306.8052978515625	144.0
307.8310852050781	140.0
308.1013488769531	100.0
312.33111572265625	168.0
313.91595458984375	144.0
314.5086364746094	160.0
314.7967834472656	228.0
315.08270263671875	156.0
315.82659912109375	168.0
319.22772216796875	184.0
319.38775634765625	236.0
320.26690673828125	232.0
321.9002990722656	144.0
322.5648193359375	148.0
326.25152587890625	136.0
327.26092529296875	156.0
327.6210632324219	152.0
329.0166931152344	244.0
330.73736572265625	168.0
330.7735595703125	152.0
332.1120300292969	5536.0
332.18316650390625	208.0
332.61859130859375	152.0
333.1153259277344	1332.0
333.2250671386719	160.0
333.7157287597656	200.0
334.1183166503906	336.0
337.2079162597656	140.0
343.31695556640625	144.0
344.498046875	160.0
345.1004333496094	212.0
345.71734619140625	128.0
347.4867858886719	116.0
347.5487060546875	144.0
347.6104736328125	148.0
348.4459228515625	160.0
348.5016784667969	116.0
348.5899353027344	136.0
348.6961669921875	160.0
348.8211364746094	116.0
349.0216369628906	160.0
349.1457214355469	268.0
349.22412109375	228.0
349.310302734375	200.0
349.3495178222656	180.0
349.4615783691406	96.0
349.48687744140625	176.0
349.7353820800781	144.0
349.7872619628906	132.0
349.82501220703125	176.0
349.9072265625	112.0
349.93988037109375	136.0
350.0464782714844	140.0
350.12420654296875	173284.0
350.2463684082031	336.0
350.3082275390625	112.0
350.3630065917969	136.0
350.4593200683594	292.0
350.530517578125	244.0
350.5698547363281	228.0
350.59527587890625	220.0
350.63360595703125	112.0
350.7365417480469	3368.0
350.7962341308594	188.0
350.8771057128906	104.0
350.9259338378906	136.0
350.9995422363281	224.0
351.0736083984375	188.0
351.1261901855469	37116.0
351.2484436035156	212.0
351.3113098144531	152.0
351.421630859375	236.0
351.4941101074219	204.0
351.6029052734375	132.0
351.6477355957031	104.0
351.6865234375	328.0
351.73065185546875	136.0
351.8111877441406	96.0
351.8882141113281	96.0
351.931884765625	132.0
351.9955139160156	140.0
352.12713623046875	1980.0
352.2089538574219	220.0
352.49481201171875	112.0
352.7403869628906	144.0
352.80999755859375	136.0
352.84112548828125	172.0
352.9070129394531	132.0
352.9480285644531	216.0
352.9958801269531	120.0
353.0496520996094	96.0
353.1279602050781	184.0
353.1955261230469	112.0
353.3219299316406	360.0
353.3778076171875	264.0
353.4234619140625	136.0
353.5138854980469	144.0
353.5577087402344	140.0
353.627197265625	128.0
353.6707458496094	100.0
353.9837646484375	116.0
354.1694641113281	104.0
354.3111877441406	148.0
354.4808044433594	148.0
354.5361022949219	132.0
354.8788146972656	180.0
355.70855712890625	144.0
357.4132385253906	184.0
362.3799743652344	100.0
363.93878173828125	140.0
364.07275390625	96.0
369.032958984375	104.0
380.2955322265625	148.0
391.98516845703125	156.0
434.2156677246094	140.0
514.0867309570312	156.0
534.879638671875	184.0
587.89208984375	100.0
714.3162231445312	152.0
788.0555419921875	152.0
842.2875366210938	248.0
860.1314697265625	140.0
925.761962890625	208.0
981.352294921875	160.0
1037.383544921875	160.0
1043.7459716796875	148.0
1049.1671142578125	148.0
1050.0504150390625	232.0
1050.1988525390625	164.0
1063.38671875	196.0
1070.7183837890625	172.0
1096.9996337890625	224.0
1120.5062255859375	280.0
1134.74169921875	164.0
1140.0511474609375	148.0
1145.7435302734375	152.0
1147.6103515625	192.0
1170.5604248046875	164.0
1170.723876953125	152.0
1174.9361572265625	164.0
1175.48876953125	156.0
1181.9188232421875	172.0
1184.39013671875	160.0
1200.1275634765625	268.0
1204.6341552734375	216.0
1217.656005859375	176.0
1218.3157958984375	204.0
1218.80224609375	188.0
1221.054443359375	180.0
1225.23095703125	140.0
1227.16845703125	188.0
1232.242431640625	192.0
1234.3673095703125	168.0
1237.7259521484375	164.0
1247.007080078125	160.0
1257.3106689453125	196.0
1264.6964111328125	192.0
1288.1614990234375	140.0
1289.09033203125	140.0
1305.4344482421875	180.0
1314.604736328125	200.0
1321.9033203125	148.0
1323.9664306640625	144.0
1327.7711181640625	160.0
1330.21630859375	164.0
1330.6663818359375	164.0
1334.5316162109375	152.0
1336.298095703125	160.0
1342.4466552734375	156.0
1347.96533203125	192.0
1352.4703369140625	144.0
1356.95361328125	168.0
1359.1246337890625	140.0
1370.5435791015625	144.0
1373.6473388671875	180.0
1374.8131103515625	144.0
1379.68798828125	164.0
1383.4090576171875	276.0
1400.5025634765625	184.0
1404.124755859375	176.0
1405.2735595703125	148.0
1410.1871337890625	140.0
1414.3607177734375	152.0
1427.2568359375	140.0
1430.26611328125	208.0
1439.6072998046875	200.0
1441.9114990234375	204.0
1444.04345703125	168.0
1448.872802734375	140.0
1455.3118896484375	148.0
1456.3143310546875	156.0
1459.0574951171875	192.0
1462.0848388671875	192.0
1467.958251953125	160.0
1468.034423828125	176.0
1469.0640869140625	180.0
1471.7581787109375	152.0
1479.6944580078125	212.0
1481.0345458984375	204.0
1485.6260986328125	168.0
1485.7105712890625	144.0
1489.4412841796875	140.0
1496.0235595703125	160.0
1496.3238525390625	232.0
1498.0411376953125	200.0
1498.310791015625	244.0
1503.4537353515625	148.0
1503.5772705078125	144.0
1504.7872314453125	148.0
1507.2685546875	200.0
1511.1190185546875	212.0
1513.2242431640625	160.0
1523.77978515625	164.0
1529.0206298828125	260.0
1530.779052734375	180.0
1534.5201416015625	224.0
1535.4090576171875	140.0
1539.430419921875	148.0
1545.97119140625	156.0
1553.139892578125	176.0
1555.87060546875	200.0
1557.02490234375	216.0
1557.448974609375	160.0
1561.17431640625	148.0
1563.037841796875	192.0
1565.5418701171875	244.0
1565.8489990234375	224.0
1566.731201171875	264.0
1572.4952392578125	140.0
1581.6322021484375	184.0
1586.4483642578125	152.0
1587.0985107421875	156.0
1587.93115234375	160.0
1590.7637939453125	140.0
1597.0968017578125	220.0
1599.3485107421875	164.0
1600.4471435546875	172.0
1601.5062255859375	212.0
1603.4742431640625	144.0
1609.11376953125	152.0
1609.2255859375	184.0
1611.3819580078125	148.0
1613.924560546875	168.0
1618.572509765625	164.0
1619.0208740234375	180.0
1619.7967529296875	152.0
1620.9354248046875	192.0
1623.236083984375	204.0
1624.350830078125	160.0
1629.939697265625	144.0
1630.37255859375	184.0
1637.3878173828125	148.0
1639.587158203125	224.0
1639.9014892578125	220.0
1640.0545654296875	140.0
1646.57373046875	180.0
1647.163330078125	164.0
1659.2291259765625	140.0
1660.177734375	144.0
1663.551513671875	212.0
1664.5516357421875	164.0
1666.744873046875	176.0
1667.2080078125	160.0
1669.54931640625	152.0
1670.02099609375	164.0
1671.8515625	204.0
1671.9410400390625	208.0
1674.0006103515625	212.0
1674.16357421875	160.0
1674.554443359375	176.0
1674.7254638671875	272.0
1676.9986572265625	196.0
1680.480712890625	260.0
1684.5953369140625	252.0
1685.935302734375	144.0
1686.564697265625	196.0
1689.1812744140625	176.0
1690.5067138671875	208.0
1692.0782470703125	144.0
1696.5020751953125	196.0
1697.116943359375	160.0
1699.2412109375	184.0
1700.7347412109375	172.0
1702.1468505859375	144.0
1703.0419921875	140.0
1706.698974609375	140.0
1717.31396484375	180.0
1719.1455078125	176.0
1719.30224609375	232.0
1726.2083740234375	144.0
1728.5906982421875	144.0
1731.3721923828125	192.0
1735.9798583984375	144.0
1736.2203369140625	160.0
1740.0206298828125	172.0
1740.1119384765625	176.0
1740.585205078125	196.0
1741.5809326171875	176.0
1742.8944091796875	200.0
1746.427490234375	144.0
1751.1217041015625	140.0
1754.346435546875	212.0
1760.57080078125	172.0
1761.0384521484375	140.0
1761.37255859375	196.0
1761.7652587890625	148.0
1763.16064453125	156.0
1776.406494140625	176.0
1779.452880859375	240.0
1787.52197265625	168.0
1788.7626953125	152.0
1790.5946044921875	168.0
1792.5322265625	176.0
1797.50732421875	148.0
1802.1343994140625	160.0
1802.6414794921875	220.0
1802.7935791015625	180.0
1803.1231689453125	188.0
1803.9345703125	176.0
1805.2359619140625	148.0
1806.2684326171875	176.0
1806.682861328125	188.0
1806.7796630859375	156.0
1808.476806640625	184.0
1808.9761962890625	172.0
1811.5941162109375	164.0
1817.502197265625	148.0
1819.5760498046875	148.0
1822.8941650390625	200.0
1825.4407958984375	116.0
1827.1453857421875	156.0
1828.5408935546875	184.0
1833.5316162109375	180.0
1836.93359375	192.0
1837.3004150390625	196.0
1837.88916015625	188.0
1838.187744140625	144.0
1838.793701171875	160.0
1841.6112060546875	204.0
1842.022216796875	132.0
1845.508056640625	208.0
1847.483642578125	144.0
1849.1607666015625	148.0
1851.763427734375	140.0
1852.9884033203125	168.0
1853.31396484375	140.0
1853.382568359375	192.0
1854.470947265625	168.0
1854.8394775390625	200.0
1855.2891845703125	156.0
1856.408447265625	188.0
1858.3555908203125	152.0
1858.750244140625	228.0
1858.930419921875	148.0
1860.269287109375	172.0
1861.74609375	224.0
1863.55859375	192.0
1865.127197265625	268.0
1868.8807373046875	244.0
1870.3265380859375	216.0
1878.7713623046875	180.0
1885.463134765625	176.0
1887.07958984375	192.0
1887.90966796875	152.0
1889.3800048828125	184.0
1889.97705078125	140.0
1890.3751220703125	200.0
1891.13671875	160.0
1892.7122802734375	184.0
1892.8853759765625	144.0
1895.1114501953125	200.0
1897.1568603515625	140.0
1897.425537109375	188.0
1899.9840087890625	196.0
1902.021728515625	168.0
1904.770751953125	192.0
1905.210205078125	180.0
1905.4100341796875	180.0
1905.8270263671875	196.0
1908.7161865234375	192.0
1909.4866943359375	184.0
1912.15771484375	172.0
1914.2296142578125	204.0
1916.877685546875	208.0
1923.567138671875	148.0
1924.990234375	184.0
1925.330810546875	236.0
1926.2740478515625	172.0
1934.0213623046875	152.0
1934.34521484375	176.0
1937.173583984375	152.0
1937.6641845703125	168.0
1940.27587890625	212.0
1940.749267578125	196.0
1941.1351318359375	224.0
1941.93310546875	212.0
1943.661376953125	196.0
1945.7064208984375	160.0
1950.8983154296875	152.0
1951.918212890625	156.0
1954.0203857421875	168.0
1954.399658203125	156.0
1956.8543701171875	140.0
1957.22412109375	220.0
1959.734375	168.0
1960.2032470703125	136.0
1962.4403076171875	168.0
1962.6871337890625	208.0
1962.96923828125	188.0
1966.0479736328125	220.0
1969.37646484375	140.0
1971.505615234375	144.0
1972.3275146484375	144.0
1977.2894287109375	140.0
1977.3602294921875	160.0
1978.13916015625	140.0
1981.6904296875	144.0
1984.251708984375	176.0
1985.298095703125	176.0
1986.965576171875	196.0
1987.04541015625	188.0
1988.8201904296875	156.0
1992.1944580078125	260.0
1992.5587158203125	176.0
1993.58056640625	168.0
1995.1627197265625	172.0
1996.985595703125	176.0
1998.5423583984375	176.0
2000.7139892578125	168.0
2002.0050048828125	148.0
2003.1361083984375	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078954
PEPMASS=361.169128
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TRIPTOLIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)[C@@]12O[C@H]2[C@@H]3O[C@]34[C@]5(O[C@H]5C[C@H]6C7=C(CC[C@@]64C)C(=O)OC7)[C@@H]1O
INCHI=InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
INCHIAUX=DFBIRQPKNDILPW-CIVMWXNOSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078954
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078954
SCANS=1200
51.586360931396484	176.0
51.90993881225586	176.0
52.43754577636719	180.0
53.2579231262207	176.0
53.70477294921875	220.0
53.99980545043945	140.0
54.115413665771484	160.0
56.88797378540039	148.0
59.8529167175293	152.0
67.8338851928711	152.0
70.49705505371094	192.0
70.53215789794922	228.0
71.19227600097656	232.0
72.66078186035156	144.0
73.39554595947266	176.0
73.414306640625	232.0
76.78956604003906	144.0
82.8412094116211	204.0
87.3723373413086	156.0
89.5569076538086	180.0
90.9048843383789	152.0
91.05654907226562	180.0
92.06230163574219	168.0
93.36930084228516	152.0
94.29277801513672	184.0
99.0119857788086	212.0
101.00432586669922	204.0
101.20645141601562	160.0
103.05691528320312	176.0
103.65179443359375	148.0
105.07301330566406	324.0
106.07508087158203	152.0
107.05305480957031	208.0
107.0903549194336	172.0
109.02662658691406	304.0
109.06611633300781	148.0
109.79691314697266	176.0
110.06819152832031	156.0
111.08206939697266	152.0
113.0595932006836	148.0
115.05345916748047	148.0
115.07684326171875	144.0
115.16439819335938	208.0
116.06107330322266	172.0
116.20477294921875	272.0
116.35930633544922	172.0
117.06824493408203	280.0
118.03777313232422	208.0
118.77411651611328	200.0
119.08403015136719	596.0
119.61503601074219	208.0
121.06179809570312	192.0
121.10199737548828	252.0
122.07421875	160.0
123.04400634765625	176.0
123.08345031738281	136.0
125.02607727050781	156.0
125.09432983398438	160.0
126.9958724975586	188.0
128.03646850585938	168.0
128.0634002685547	400.0
128.4556884765625	168.0
129.0703582763672	644.0
129.89208984375	176.0
130.0721893310547	188.0
130.87841796875	228.0
131.05018615722656	256.0
131.08657836914062	828.0
133.0635986328125	484.0
133.10223388671875	308.0
134.0665740966797	172.0
135.04774475097656	148.0
135.08091735839844	180.0
137.05899047851562	272.0
137.096923828125	136.0
139.0766143798828	140.0
139.8314208984375	156.0
141.07192993164062	564.0
142.0782470703125	836.0
143.0846405029297	848.0
144.06161499023438	160.0
144.10009765625	156.0
145.0278778076172	188.0
145.0662078857422	556.0
145.10275268554688	1516.0
147.04595947265625	188.0
147.08834838867188	396.0
147.11378479003906	400.0
149.057373046875	608.0
149.09132385253906	136.0
150.0615234375	148.0
150.97964477539062	144.0
151.47650146484375	148.0
152.0207977294922	140.0
152.05001831054688	172.0
153.0648956298828	160.0
154.0783233642578	416.0
155.08724975585938	912.0
156.0545196533203	148.0
156.0909423828125	440.0
157.06134033203125	364.0
157.09986877441406	784.0
157.15040588378906	140.0
158.06881713867188	148.0
158.101318359375	204.0
158.96145629882812	148.0
159.07814025878906	864.0
159.11737060546875	168.0
160.08566284179688	216.0
161.07046508789062	168.0
161.08103942871094	188.0
161.0985870361328	404.0
163.08216857910156	720.0
164.61732482910156	160.0
165.08477783203125	156.0
166.0768585205078	316.0
167.0892791748047	552.0
167.11907958984375	148.0
168.09251403808594	324.0
169.06748962402344	360.0
169.10076904296875	672.0
170.0716552734375	420.0
170.1072540283203	168.0
171.0814971923828	916.0
171.11766052246094	360.0
172.08714294433594	432.0
173.0572967529297	144.0
173.0952911376953	464.0
173.13111877441406	176.0
174.10604858398438	348.0
175.0723114013672	216.0
175.1094512939453	272.0
176.1267852783203	148.0
177.05776977539062	148.0
177.08639526367188	188.0
178.08023071289062	164.0
179.0496063232422	208.0
179.08352661132812	532.0
180.09207153320312	380.0
181.0633544921875	128.0
181.09947204589844	548.0
182.07546997070312	156.0
182.10684204101562	300.0
183.08135986328125	644.0
183.11834716796875	564.0
184.08644104003906	168.0
184.12380981445312	156.0
184.4993896484375	144.0
185.05844116210938	148.0
185.09634399414062	500.0
186.07070922851562	160.0
186.10362243652344	192.0
187.07374572753906	248.0
187.1100311279297	548.0
188.07696533203125	160.0
189.05380249023438	164.0
189.09356689453125	284.0
190.06381225585938	148.0
191.0583953857422	180.0
191.0846405029297	140.0
191.10653686523438	304.0
192.09471130371094	148.0
192.51646423339844	160.0
192.58827209472656	148.0
193.10382080078125	144.0
194.0688018798828	164.0
195.07908630371094	268.0
195.10787963867188	140.0
196.08644104003906	128.0
196.13433837890625	248.0
197.09429931640625	504.0
197.4493865966797	172.0
198.0649871826172	152.0
198.10890197753906	304.0
198.14356994628906	156.0
198.8052978515625	172.0
199.07781982421875	152.0
199.11050415039062	228.0
199.15138244628906	148.0
199.6480712890625	168.0
200.0858154296875	384.0
200.12464904785156	132.0
200.89300537109375	256.0
201.05665588378906	496.0
201.09474182128906	436.0
201.12730407714844	120.0
202.09654235839844	428.0
203.06988525390625	228.0
203.10997009277344	164.0
205.0526123046875	172.0
205.08389282226562	188.0
206.05996704101562	140.0
207.11495971679688	188.0
208.12246704101562	520.0
209.09417724609375	184.0
209.12979125976562	144.0
209.66688537597656	140.0
210.10240173339844	188.0
210.1318817138672	284.0
211.0751953125	324.0
211.1103973388672	292.0
211.1433868408203	152.0
212.0859832763672	164.0
212.115234375	176.0
213.08961486816406	400.0
213.1376190185547	128.0
214.10231018066406	176.0
214.49563598632812	224.0
215.06719970703125	168.0
215.10470581054688	484.0
216.10768127441406	172.0
216.14572143554688	152.0
217.08929443359375	212.0
217.1171875	172.0
218.06362915039062	160.0
218.08419799804688	140.0
218.1077117919922	156.0
219.07208251953125	148.0
219.09332275390625	172.0
219.13645935058594	124.0
220.0992431640625	204.0
220.90606689453125	164.0
221.1275634765625	336.0
222.06422424316406	164.0
222.10166931152344	156.0
222.14479064941406	148.0
223.0746612548828	224.0
223.1166534423828	152.0
223.1399688720703	120.0
224.07508850097656	140.0
225.09674072265625	368.0
225.11764526367188	148.0
227.07601928710938	228.0
227.10562133789062	384.0
227.14895629882812	520.0
228.08221435546875	144.0
229.0845489501953	176.0
229.12059020996094	128.0
230.0899658203125	372.0
230.1201629638672	148.0
231.11611938476562	240.0
231.1781005859375	184.0
231.28099060058594	160.0
232.1050262451172	316.0
233.1249542236328	148.0
234.13189697265625	196.0
237.09136962890625	148.0
237.1287384033203	280.0
238.1322479248047	168.0
239.10804748535156	236.0
240.08035278320312	276.0
241.08840942382812	244.0
241.1263427734375	172.0
241.16091918945312	160.0
242.0518798828125	156.0
242.12930297851562	188.0
243.10076904296875	184.0
243.1349334716797	128.0
244.14892578125	140.0
245.0791473388672	168.0
246.0784454345703	156.0
246.13153076171875	308.0
248.10069274902344	156.0
251.07073974609375	140.0
251.1099395751953	260.0
251.14195251464844	176.0
253.12144470214844	152.0
255.10350036621094	260.0
255.14004516601562	184.0
257.121826171875	148.0
258.16552734375	152.0
260.1038818359375	152.0
261.1224060058594	208.0
263.1202087402344	180.0
263.53363037109375	156.0
263.714599609375	184.0
265.1191711425781	160.0
269.1531982421875	132.0
271.09759521484375	140.0
271.1607360839844	188.0
273.1115417480469	156.0
277.8487243652344	168.0
278.6654357910156	204.0
278.9146728515625	156.0
280.132568359375	148.0
281.3831481933594	140.0
283.1319580078125	152.0
284.14422607421875	164.0
285.0071105957031	200.0
286.1136474609375	156.0
287.1615905761719	172.0
290.03216552734375	164.0
294.2947692871094	160.0
297.0625	200.0
297.08746337890625	164.0
300.1312255859375	156.0
302.1413269042969	160.0
302.4908447265625	180.0
309.58660888671875	172.0
314.5687255859375	196.0
315.1645812988281	368.0
319.2455749511719	184.0
323.22296142578125	164.0
324.1539611816406	176.0
325.14520263671875	196.0
325.97686767578125	196.0
326.2859802246094	156.0
327.1385803222656	148.0
327.88775634765625	180.0
343.1494445800781	260.0
348.2685546875	184.0
352.1456604003906	128.0
359.12152099609375	500.0
360.0671691894531	184.0
360.118896484375	128.0
360.1615905761719	164.0
360.4864807128906	148.0
361.0081481933594	180.0
361.0473937988281	160.0
361.16522216796875	60660.0
361.2746887207031	112.0
361.3623046875	172.0
361.4430236816406	104.0
361.7508544921875	160.0
362.0480651855469	140.0
362.16802978515625	9564.0
362.250732421875	124.0
362.65997314453125	104.0
362.80194091796875	100.0
363.1711730957031	1752.0
363.2231140136719	192.0
364.1083068847656	280.0
364.1755065917969	456.0
364.2464904785156	148.0
364.3792419433594	160.0
364.4938049316406	208.0
364.5985412597656	136.0
367.770751953125	144.0
379.17425537109375	1368.0
380.1858825683594	232.0
402.19158935546875	252.0
403.1943054199219	152.0
1422.8468017578125	148.0
1466.7235107421875	164.0
1662.2872314453125	204.0
1782.6441650390625	160.0
1793.527099609375	180.0
1805.0086669921875	240.0
1817.94384765625	164.0
1846.876708984375	236.0
1929.0096435546875	180.0
1974.5472412109375	156.0
1987.7557373046875	192.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078955
PEPMASS=276.163666
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Rolipram aka 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccc(cc1OC2CCCC2)C3CNC(=O)C3
INCHI=InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
INCHIAUX=HJORMJIFDVBMOB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078955
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078955
SCANS=1253
45.00357437133789	224.0
45.091739654541016	144.0
47.783721923828125	152.0
49.127586364746094	144.0
50.1850700378418	220.0
50.30216598510742	180.0
50.63585662841797	212.0
50.73079299926758	140.0
51.5692024230957	176.0
52.29063415527344	152.0
52.485111236572266	244.0
52.67561721801758	196.0
52.71751403808594	148.0
53.3799934387207	204.0
53.47601318359375	144.0
53.900390625	176.0
54.13151168823242	152.0
54.361656188964844	256.0
54.65260314941406	180.0
55.51652145385742	128.0
55.54048156738281	172.0
56.35658264160156	128.0
58.125587463378906	204.0
58.5679931640625	236.0
58.72345733642578	152.0
58.781429290771484	188.0
59.55763244628906	140.0
60.110328674316406	156.0
60.44255447387695	160.0
60.527687072753906	204.0
61.073970794677734	168.0
61.19068145751953	148.0
61.68365478515625	144.0
61.82441711425781	184.0
61.86198425292969	144.0
61.97004318237305	204.0
62.581024169921875	160.0
63.36185836791992	100.0
64.09050750732422	180.0
64.14788818359375	148.0
64.22028350830078	136.0
65.149658203125	200.0
65.3305892944336	184.0
65.73896026611328	168.0
65.8552017211914	160.0
65.88265991210938	168.0
65.90850830078125	144.0
66.36009216308594	168.0
66.43955993652344	176.0
66.4557876586914	172.0
66.63925170898438	164.0
66.70913696289062	172.0
67.09658813476562	184.0
67.6373062133789	176.0
67.87713623046875	248.0
68.37096405029297	140.0
68.90851593017578	240.0
69.08210754394531	172.0
69.29401397705078	156.0
69.37190246582031	204.0
69.38516235351562	156.0
70.66425323486328	208.0
70.78141784667969	168.0
70.91376495361328	200.0
71.5419921875	184.0
72.60140228271484	172.0
73.25918579101562	208.0
73.90625	172.0
74.04833221435547	196.0
74.147705078125	192.0
74.32433319091797	180.0
74.91576385498047	148.0
75.02950286865234	208.0
75.1383056640625	132.0
75.1795654296875	156.0
75.23307037353516	148.0
75.79690551757812	188.0
75.87901306152344	108.0
75.92345428466797	212.0
75.95640563964844	180.0
76.44113159179688	200.0
76.50727081298828	216.0
76.61698913574219	148.0
77.11954498291016	164.0
77.43096923828125	176.0
77.93794250488281	204.0
78.37078094482422	156.0
78.54178619384766	168.0
78.6653060913086	180.0
79.19400787353516	180.0
79.90228271484375	160.0
80.12838745117188	164.0
81.96854400634766	176.0
82.27516174316406	156.0
83.06234741210938	224.0
83.29106140136719	168.0
83.3146743774414	148.0
83.46370697021484	204.0
83.50189971923828	180.0
83.89337921142578	228.0
84.17800903320312	172.0
84.38813781738281	160.0
84.57100677490234	124.0
85.30294799804688	152.0
85.64176177978516	148.0
86.49087524414062	172.0
87.35930633544922	224.0
87.99667358398438	156.0
88.27694702148438	144.0
88.91389465332031	164.0
89.38557434082031	180.0
90.44243621826172	180.0
90.49755096435547	140.0
90.78156280517578	160.0
90.94092559814453	176.0
91.05484008789062	232.0
91.08333587646484	164.0
91.31331634521484	164.0
91.62358856201172	152.0
91.72649383544922	164.0
91.9744644165039	148.0
92.99272918701172	204.0
94.00115966796875	144.0
94.03589630126953	248.0
94.18843078613281	160.0
94.47064971923828	180.0
94.9781723022461	196.0
95.07323455810547	272.0
95.7166748046875	204.0
97.36717224121094	184.0
97.61871337890625	164.0
99.0713882446289	180.0
99.7800064086914	128.0
99.81169128417969	160.0
100.15797424316406	192.0
100.66055297851562	216.0
100.82036590576172	188.0
102.04109191894531	156.0
102.48992919921875	152.0
103.00164794921875	244.0
103.05497741699219	6936.0
103.25904846191406	160.0
104.0589370727539	752.0
104.2707290649414	176.0
104.44964599609375	172.0
105.06976318359375	1448.0
105.24649047851562	156.0
106.04431915283203	168.0
106.06598663330078	760.0
106.1324691772461	184.0
106.17962646484375	208.0
107.04998016357422	144.0
107.32709503173828	156.0
107.38277435302734	200.0
107.68824005126953	172.0
107.9982681274414	144.0
108.05825805664062	152.0
108.20106506347656	156.0
108.38954162597656	184.0
108.78359985351562	224.0
109.06114196777344	156.0
109.59677124023438	168.0
110.04222106933594	148.0
110.14127349853516	140.0
111.78916931152344	168.0
112.20338439941406	152.0
112.55645751953125	152.0
112.57757568359375	164.0
113.13577270507812	148.0
113.6507797241211	172.0
113.8949203491211	156.0
113.99689483642578	180.0
114.12017822265625	160.0
114.37789916992188	140.0
115.05462646484375	220.0
115.46573638916016	180.0
116.04389953613281	172.0
116.27127838134766	172.0
116.30132293701172	140.0
116.5182113647461	140.0
116.58911895751953	172.0
117.07315826416016	140.0
117.23472595214844	176.0
118.10047149658203	192.0
119.30975341796875	164.0
119.54537200927734	168.0
119.63273620605469	172.0
120.05532836914062	172.0
120.14237213134766	140.0
120.39993286132812	200.0
120.52226257324219	144.0
121.06333923339844	552.0
121.18960571289062	256.0
121.25096130371094	188.0
121.31891632080078	156.0
121.44828796386719	184.0
121.50093078613281	156.0
122.04423522949219	108.0
122.07132720947266	248.0
123.04473114013672	148.0
123.06576538085938	140.0
124.05181884765625	1036.0
124.12785339355469	208.0
124.92964172363281	168.0
125.05972290039062	164.0
125.47303009033203	144.0
125.49309539794922	148.0
125.76748657226562	164.0
126.05852508544922	392.0
126.31073760986328	156.0
126.37980651855469	156.0
127.0564193725586	156.0
127.24839782714844	156.0
128.28880310058594	156.0
129.09710693359375	172.0
129.53143310546875	196.0
129.7537384033203	232.0
129.92837524414062	144.0
130.04637145996094	204.0
130.0643310546875	620.0
130.26434326171875	156.0
130.76229858398438	156.0
130.86474609375	172.0
130.8893280029297	220.0
131.02371215820312	160.0
131.05006408691406	22608.0
131.1084747314453	164.0
131.2384033203125	172.0
131.27716064453125	272.0
131.39089965820312	116.0
131.52813720703125	160.0
131.5623779296875	140.0
131.68003845214844	148.0
132.05210876464844	1368.0
132.09024047851562	224.0
132.34197998046875	196.0
132.67877197265625	156.0
132.83241271972656	140.0
133.0308837890625	344.0
133.06472778320312	1240.0
133.1905059814453	160.0
133.2180633544922	160.0
134.0343017578125	188.0
134.05987548828125	1644.0
134.49143981933594	192.0
134.8170928955078	152.0
135.04324340820312	1080.0
135.0802459716797	696.0
135.75001525878906	204.0
135.93325805664062	184.0
136.05319213867188	1384.0
136.08413696289062	184.0
136.68148803710938	212.0
137.05934143066406	3116.0
137.09365844726562	292.0
137.72357177734375	172.0
138.0658721923828	272.0
138.97836303710938	152.0
139.84552001953125	172.0
140.00559997558594	156.0
140.13516235351562	216.0
140.587890625	196.0
141.0271759033203	188.0
141.28729248046875	160.0
141.75608825683594	144.0
141.8082275390625	172.0
142.34437561035156	176.0
143.07669067382812	192.0
143.62477111816406	140.0
143.71302795410156	148.0
143.9803924560547	216.0
144.05682373046875	188.0
144.08547973632812	240.0
144.28623962402344	160.0
144.6450653076172	148.0
144.92526245117188	160.0
145.03424072265625	204.0
145.065673828125	548.0
146.07281494140625	204.0
146.09446716308594	152.0
146.15220642089844	212.0
147.04324340820312	308.0
147.06707763671875	380.0
148.05227661132812	1148.0
148.51730346679688	176.0
148.7659149169922	156.0
149.06069946289062	3524.0
149.45745849609375	176.0
150.0667724609375	4076.0
150.12002563476562	192.0
151.040771484375	160.0
151.06651306152344	736.0
151.4764862060547	180.0
151.6651611328125	192.0
152.07254028320312	308.0
152.4505157470703	140.0
152.5561981201172	144.0
152.9547119140625	184.0
153.22805786132812	156.0
154.17062377929688	196.0
154.20391845703125	136.0
155.01199340820312	160.0
155.13592529296875	176.0
155.48068237304688	152.0
156.27835083007812	156.0
156.98326110839844	144.0
157.25270080566406	148.0
158.06256103515625	520.0
158.2976837158203	184.0
159.04412841796875	3392.0
159.19793701171875	180.0
159.3134765625	180.0
159.869140625	180.0
159.9409942626953	212.0
159.98492431640625	220.0
160.0507049560547	2764.0
160.18133544921875	164.0
161.06105041503906	432.0
161.4357147216797	144.0
162.0576171875	268.0
162.09356689453125	164.0
162.891845703125	176.0
163.0413360595703	176.0
163.07594299316406	14236.0
163.14097595214844	164.0
163.27175903320312	148.0
163.984619140625	184.0
164.07810974121094	1432.0
165.09059143066406	1492.0
165.34332275390625	152.0
166.0862579345703	5468.0
166.8187713623047	140.0
167.08673095703125	664.0
167.647705078125	184.0
168.09153747558594	172.0
168.1988525390625	140.0
169.06985473632812	192.0
169.8756561279297	192.0
170.0676727294922	148.0
170.1715087890625	148.0
170.34030151367188	176.0
170.37667846679688	168.0
171.1230926513672	172.0
171.6598358154297	160.0
172.3750762939453	148.0
172.91903686523438	152.0
173.05992126464844	448.0
174.0680694580078	156.0
174.6691131591797	164.0
174.9322509765625	140.0
175.06112670898438	888.0
176.04635620117188	7568.0
176.15582275390625	228.0
177.0220947265625	104.0
177.05328369140625	484.0
177.08847045898438	372.0
177.71780395507812	188.0
178.08815002441406	148.0
178.11407470703125	132.0
178.45883178710938	192.0
178.70086669921875	148.0
178.96197509765625	196.0
179.06922912597656	328.0
179.13214111328125	256.0
180.0550079345703	224.0
180.07481384277344	172.0
180.1016082763672	168.0
180.34088134765625	184.0
181.07806396484375	144.0
181.12753295898438	188.0
181.2353973388672	120.0
181.80316162109375	172.0
182.64410400390625	164.0
183.21478271484375	156.0
185.09458923339844	148.0
185.3986053466797	160.0
185.79115295410156	148.0
186.20645141601562	168.0
186.7772216796875	256.0
187.0792694091797	184.0
187.9677734375	224.0
188.39096069335938	140.0
188.9349822998047	144.0
189.16485595703125	156.0
189.44691467285156	184.0
189.48526000976562	164.0
189.67001342773438	172.0
190.062255859375	344.0
190.08583068847656	1236.0
190.26242065429688	100.0
190.85342407226562	140.0
190.9611358642578	196.0
191.07012939453125	38156.0
191.1461944580078	252.0
191.3878936767578	132.0
191.47494506835938	112.0
191.78372192382812	136.0
191.86929321289062	148.0
192.07342529296875	5188.0
192.4369659423828	156.0
192.48883056640625	148.0
192.63172912597656	108.0
192.78440856933594	212.0
193.07318115234375	1216.0
193.2759246826172	112.0
193.56515502929688	100.0
194.07821655273438	144.0
194.45567321777344	244.0
195.91696166992188	160.0
197.35427856445312	176.0
197.653564453125	160.0
198.51913452148438	152.0
198.79405212402344	148.0
198.87542724609375	288.0
198.89508056640625	140.0
201.06553649902344	668.0
202.1757354736328	140.0
203.11354064941406	140.0
203.2298583984375	204.0
204.19569396972656	172.0
204.4684295654297	148.0
204.59974670410156	188.0
204.7592010498047	144.0
205.08580017089844	200.0
206.08287048339844	232.0
206.3343048095703	188.0
206.72679138183594	192.0
207.088134765625	1544.0
207.33900451660156	164.0
207.65150451660156	180.0
207.78472900390625	140.0
207.88616943359375	160.0
208.00088500976562	344.0
208.0524444580078	220.0
208.09747314453125	73276.0
208.23904418945312	216.0
208.27052307128906	124.0
208.44442749023438	184.0
208.5700225830078	184.0
208.69479370117188	220.0
208.8240203857422	240.0
208.8468475341797	300.0
209.0483856201172	184.0
209.09976196289062	6596.0
209.14205932617188	224.0
209.58287048339844	136.0
209.7100067138672	140.0
209.7732696533203	140.0
210.10240173339844	588.0
210.17726135253906	164.0
210.49667358398438	220.0
210.73590087890625	184.0
212.68055725097656	156.0
213.52313232421875	200.0
213.54640197753906	144.0
213.58421325683594	360.0
213.6598358154297	180.0
214.38485717773438	240.0
216.87973022460938	136.0
217.1223907470703	312.0
217.6082763671875	180.0
218.12237548828125	204.0
218.54879760742188	168.0
219.51495361328125	148.0
220.057861328125	184.0
221.65211486816406	184.0
223.18075561523438	144.0
223.3706817626953	176.0
223.55853271484375	140.0
224.23158264160156	152.0
224.63754272460938	160.0
225.92161560058594	148.0
226.99085998535156	168.0
227.09881591796875	216.0
227.88232421875	144.0
229.36593627929688	204.0
230.09597778320312	140.0
232.0928497314453	196.0
232.17132568359375	160.0
232.69664001464844	144.0
233.1188507080078	152.0
233.88829040527344	152.0
234.0557403564453	180.0
234.14480590820312	248.0
234.95179748535156	152.0
237.1473388671875	144.0
237.95103454589844	172.0
238.62078857421875	164.0
238.70689392089844	188.0
240.52151489257812	156.0
243.59945678710938	164.0
244.67544555664062	160.0
246.10650634765625	168.0
246.41883850097656	204.0
246.55320739746094	140.0
246.82203674316406	144.0
246.93148803710938	252.0
247.77978515625	152.0
249.12802124023438	168.0
251.08340454101562	160.0
253.20718383789062	212.0
253.31170654296875	164.0
254.6311798095703	144.0
255.43214416503906	252.0
255.9700164794922	152.0
256.16748046875	140.0
256.25347900390625	204.0
257.127197265625	172.0
258.005615234375	164.0
258.2262268066406	144.0
258.6709899902344	188.0
259.1280517578125	320.0
259.6065368652344	200.0
259.9786682128906	220.0
260.0428466796875	148.0
260.1392517089844	268.0
260.2386474609375	148.0
260.4056396484375	176.0
260.87799072265625	172.0
261.2027587890625	140.0
261.7691955566406	188.0
264.3193054199219	160.0
264.3969421386719	156.0
264.7789611816406	148.0
264.9344482421875	252.0
266.267578125	156.0
266.76470947265625	164.0
266.9045104980469	212.0
267.6561584472656	180.0
268.5001525878906	168.0
272.7523193359375	156.0
273.0294494628906	184.0
273.83575439453125	172.0
274.0999450683594	104.0
274.13702392578125	116.0
274.3344421386719	168.0
274.42230224609375	160.0
274.5621643066406	136.0
274.638671875	132.0
274.74359130859375	148.0
274.8663330078125	124.0
274.994873046875	148.0
275.1250305175781	220.0
275.2882080078125	132.0
275.3271789550781	128.0
275.4603271484375	120.0
275.577392578125	112.0
275.6002197265625	168.0
275.6733093261719	144.0
275.766845703125	108.0
275.810302734375	168.0
275.8509826660156	160.0
275.9103698730469	204.0
275.9501037597656	224.0
276.0127868652344	208.0
276.07427978515625	448.0
276.16131591796875	161200.0
276.2519226074219	144.0
276.29205322265625	172.0
276.39129638671875	368.0
276.4705505371094	192.0
276.51824951171875	240.0
276.5698547363281	148.0
276.60101318359375	212.0
276.6658020019531	212.0
276.7046203613281	3592.0
276.7457580566406	112.0
276.8495178222656	148.0
276.94427490234375	96.0
276.9877624511719	168.0
277.0769958496094	176.0
277.1628112792969	37048.0
277.3197937011719	148.0
277.40606689453125	200.0
277.4503173828125	168.0
277.5898742675781	200.0
277.64453125	152.0
277.7793884277344	168.0
277.8319396972656	116.0
277.959228515625	140.0
278.1094055175781	184.0
278.1658020019531	5176.0
278.51593017578125	216.0
278.5530090332031	228.0
278.6374206542969	120.0
278.75494384765625	136.0
278.8938903808594	228.0
278.9677429199219	124.0
279.023681640625	244.0
279.0910339355469	368.0
279.1249694824219	288.0
279.1632080078125	188.0
279.2032775878906	124.0
279.24005126953125	120.0
279.276123046875	276.0
279.3916320800781	108.0
279.4393005371094	104.0
280.1453857421875	176.0
280.98468017578125	116.0
281.1644287109375	140.0
281.3238830566406	124.0
289.9609375	164.0
290.41864013671875	168.0
291.05841064453125	100.0
294.170654296875	952.0
295.1708984375	132.0
296.17559814453125	152.0
317.1839294433594	572.0
444.16339111328125	168.0
654.7994384765625	140.0
716.2538452148438	152.0
810.7498168945312	148.0
868.6161499023438	140.0
937.3463134765625	152.0
937.6814575195312	140.0
1066.5999755859375	160.0
1074.9688720703125	184.0
1154.3626708984375	144.0
1227.4962158203125	196.0
1271.6636962890625	164.0
1291.864501953125	192.0
1324.3431396484375	144.0
1333.034423828125	140.0
1336.6119384765625	228.0
1344.6790771484375	140.0
1352.1630859375	188.0
1360.5191650390625	172.0
1380.7750244140625	168.0
1391.84619140625	140.0
1399.8538818359375	160.0
1420.302734375	176.0
1465.50390625	176.0
1491.4544677734375	176.0
1512.7674560546875	164.0
1521.4266357421875	192.0
1521.6285400390625	216.0
1564.5970458984375	176.0
1567.4088134765625	152.0
1568.73291015625	176.0
1615.0032958984375	152.0
1636.9771728515625	176.0
1637.5650634765625	248.0
1638.926513671875	212.0
1644.192138671875	168.0
1649.4744873046875	188.0
1693.355712890625	140.0
1693.5113525390625	176.0
1711.940673828125	140.0
1720.2020263671875	216.0
1732.8385009765625	156.0
1736.2950439453125	200.0
1737.531005859375	152.0
1756.2476806640625	196.0
1783.0565185546875	168.0
1788.4393310546875	156.0
1791.2264404296875	172.0
1795.508056640625	180.0
1804.805419921875	216.0
1805.6595458984375	160.0
1806.3531494140625	160.0
1812.1436767578125	152.0
1830.235107421875	224.0
1847.9029541015625	180.0
1854.5738525390625	152.0
1890.1416015625	148.0
1899.4462890625	148.0
1916.9649658203125	140.0
1919.4493408203125	140.0
1960.7742919921875	168.0
1973.8040771484375	260.0
1976.9974365234375	176.0
1977.262939453125	144.0
1980.0782470703125	204.0
1980.37060546875	248.0
1980.9375	140.0
1981.25634765625	188.0
1987.418212890625	160.0
1991.963623046875	164.0
1997.2347412109375	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078956
PEPMASS=390.149536
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TADALAFIL [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CC(=O)N2[C@@H](c3[nH]c4ccccc4c3C[C@@H]2C1=O)c5ccc6OCOc6c5
INCHI=InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1
INCHIAUX=WOXKDUGGOYFFRN-IIBYNOLFSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078956
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078956
SCANS=1319
45.22554016113281	152.0
46.26610565185547	316.0
47.05327606201172	180.0
47.98485565185547	160.0
48.07865524291992	236.0
48.78997039794922	128.0
49.170894622802734	156.0
50.17384719848633	220.0
52.181365966796875	232.0
53.25651931762695	200.0
53.795291900634766	212.0
54.131568908691406	180.0
54.58205795288086	152.0
55.550926208496094	248.0
55.68302917480469	140.0
57.78321838378906	176.0
59.70216751098633	164.0
60.24008560180664	176.0
60.28132247924805	220.0
61.3387451171875	148.0
61.41046905517578	236.0
61.69309997558594	152.0
65.46981048583984	172.0
65.91019439697266	144.0
66.28722381591797	176.0
66.81816864013672	152.0
67.72415924072266	148.0
70.4186019897461	172.0
70.47874450683594	220.0
71.18058776855469	188.0
72.80683135986328	188.0
73.57817077636719	160.0
73.94911193847656	184.0
74.81940460205078	172.0
74.94952392578125	168.0
75.35577392578125	184.0
75.4076156616211	140.0
78.94277954101562	148.0
79.29153442382812	180.0
79.60731506347656	224.0
80.11244201660156	144.0
82.15794372558594	168.0
82.71452331542969	144.0
83.06787872314453	192.0
83.31295013427734	156.0
84.11602020263672	156.0
85.1523666381836	184.0
85.20931243896484	140.0
85.33428955078125	172.0
90.02281951904297	168.0
90.09837341308594	156.0
90.24201202392578	156.0
91.51132202148438	152.0
92.44471740722656	164.0
94.0552978515625	140.0
94.48043060302734	180.0
94.72628021240234	152.0
95.20535278320312	188.0
95.99348449707031	176.0
97.04349517822266	164.0
97.38298797607422	204.0
97.39673614501953	268.0
97.55197143554688	204.0
97.77423095703125	160.0
98.06177520751953	144.0
99.05848693847656	364.0
102.56460571289062	176.0
103.59111022949219	148.0
103.94591522216797	140.0
105.06700134277344	176.0
107.05571746826172	164.0
109.23880767822266	140.0
110.34827423095703	160.0
111.17566680908203	232.0
111.82506561279297	188.0
112.11148834228516	152.0
112.85873413085938	156.0
115.05354309082031	112.0
115.38674926757812	172.0
115.80615997314453	184.0
116.12122344970703	148.0
116.23277282714844	152.0
116.95702362060547	160.0
117.72886657714844	148.0
118.36678314208984	192.0
119.0151138305664	168.0
120.5770263671875	208.0
121.12620544433594	220.0
121.38481903076172	152.0
121.83476257324219	220.0
122.43600463867188	196.0
122.54317474365234	192.0
123.01732635498047	160.0
123.0438232421875	144.0
124.93199920654297	192.0
125.5155258178711	176.0
125.57796478271484	196.0
125.91497802734375	172.0
126.38665771484375	148.0
127.05207061767578	156.0
127.22936248779297	200.0
128.17173767089844	176.0
128.77182006835938	208.0
128.78988647460938	144.0
128.90284729003906	240.0
129.06881713867188	140.0
129.3778076171875	140.0
129.4049835205078	188.0
130.065185546875	1320.0
131.06776428222656	164.0
132.3704071044922	164.0
132.48870849609375	172.0
134.94668579101562	144.0
135.04446411132812	19128.0
136.0469207763672	2504.0
136.228271484375	164.0
136.7072296142578	200.0
136.97731018066406	164.0
137.0484161376953	300.0
137.63497924804688	196.0
140.0528564453125	196.0
140.0976104736328	152.0
140.87136840820312	140.0
141.05569458007812	144.0
141.3181915283203	152.0
142.06309509277344	296.0
142.2115936279297	244.0
142.24481201171875	168.0
142.32553100585938	188.0
142.96734619140625	192.0
143.07730102539062	164.0
143.42701721191406	164.0
144.08074951171875	452.0
144.3007354736328	232.0
144.7816925048828	168.0
145.57066345214844	192.0
146.1274871826172	164.0
146.44606018066406	160.0
146.46774291992188	192.0
147.06939697265625	176.0
147.09950256347656	152.0
148.03759765625	148.0
149.01734924316406	184.0
153.29473876953125	184.0
153.54620361328125	200.0
153.57017517089844	144.0
154.07057189941406	376.0
156.0744171142578	416.0
156.83633422851562	160.0
157.06918334960938	164.0
157.67994689941406	156.0
158.21524047851562	204.0
159.23577880859375	160.0
160.0568389892578	176.0
160.09085083007812	152.0
162.0566864013672	224.0
162.45913696289062	152.0
163.25921630859375	184.0
164.3009796142578	164.0
166.0811767578125	152.0
166.3636474609375	176.0
167.06602478027344	200.0
167.36117553710938	144.0
168.0364532470703	172.0
168.0653839111328	252.0
168.99758911132812	140.0
169.07667541503906	12108.0
170.0176239013672	216.0
170.0598907470703	1564.0
170.07664489746094	2256.0
170.16648864746094	156.0
170.78237915039062	188.0
170.9268798828125	124.0
171.0618133544922	304.0
171.08694458007812	180.0
171.30557250976562	140.0
172.03834533691406	140.0
172.09317016601562	148.0
172.367431640625	144.0
172.3935546875	228.0
172.60267639160156	160.0
173.2570037841797	216.0
174.04644775390625	156.0
174.7429656982422	184.0
174.81927490234375	204.0
175.79957580566406	152.0
176.03451538085938	184.0
176.06356811523438	188.0
176.08468627929688	152.0
177.0950164794922	148.0
180.09007263183594	144.0
180.42660522460938	160.0
180.60577392578125	152.0
181.0072021484375	140.0
181.07313537597656	136.0
181.72018432617188	156.0
181.8355712890625	236.0
182.0654296875	192.0
183.0565643310547	132.0
183.09178161621094	608.0
185.0764923095703	148.0
186.98965454101562	148.0
188.07106018066406	384.0
189.07199096679688	312.0
189.62796020507812	152.0
190.0501708984375	116.0
190.725830078125	140.0
190.77806091308594	160.0
191.0750732421875	160.0
192.07908630371094	956.0
192.77908325195312	228.0
193.06707763671875	196.0
193.0897674560547	412.0
195.0563201904297	180.0
195.23802185058594	140.0
195.49118041992188	172.0
196.06158447265625	164.0
197.07183837890625	5376.0
198.07470703125	260.0
198.69606018066406	144.0
198.76339721679688	160.0
199.07147216796875	136.0
199.08999633789062	208.0
200.19419860839844	180.0
201.0511932373047	148.0
201.791259765625	148.0
202.04579162597656	144.0
202.27784729003906	184.0
203.38047790527344	144.0
203.7183837890625	160.0
204.0813751220703	2548.0
204.76795959472656	160.0
205.05824279785156	140.0
205.0885772705078	3536.0
206.0955352783203	1304.0
207.00405883789062	168.0
207.1063690185547	292.0
207.28477478027344	160.0
207.5255584716797	148.0
207.5742950439453	144.0
207.87548828125	144.0
209.02203369140625	236.0
209.07957458496094	172.0
210.09671020507812	140.0
211.05267333984375	180.0
212.114013671875	208.0
213.07571411132812	160.0
213.10842895507812	140.0
213.84921264648438	168.0
214.06875610351562	160.0
214.09085083007812	272.0
214.1869659423828	140.0
214.4375457763672	144.0
214.75242614746094	188.0
215.07562255859375	316.0
215.7042999267578	176.0
216.0828857421875	460.0
216.37062072753906	124.0
217.08673095703125	360.0
218.04913330078125	160.0
218.09605407714844	232.0
219.07301330566406	152.0
219.79290771484375	132.0
220.07424926757812	296.0
221.08319091796875	252.0
221.9695281982422	152.0
224.0858154296875	116.0
225.066650390625	700.0
225.46737670898438	144.0
226.1795196533203	116.0
226.84719848632812	164.0
230.89999389648438	212.0
231.07997131347656	168.0
231.1087188720703	164.0
232.07640075683594	3300.0
232.25686645507812	148.0
232.52386474609375	172.0
232.87908935546875	184.0
233.0066680908203	180.0
233.08306884765625	4352.0
234.08798217773438	1548.0
234.54342651367188	184.0
235.0802001953125	272.0
235.1055908203125	376.0
235.52593994140625	224.0
236.07913208007812	152.0
236.11276245117188	160.0
237.4472198486328	152.0
237.78245544433594	176.0
238.0287322998047	144.0
238.10789489746094	228.0
238.33213806152344	200.0
239.8925018310547	180.0
240.0373992919922	268.0
240.11322021484375	8000.0
241.1154327392578	784.0
241.47959899902344	168.0
241.81683349609375	208.0
242.11959838867188	116.0
243.64010620117188	152.0
244.07659912109375	624.0
245.08058166503906	376.0
245.108642578125	152.0
245.7259979248047	144.0
246.0630645751953	156.0
246.08953857421875	244.0
247.07212829589844	812.0
248.06871032714844	196.0
249.08978271484375	296.0
249.719970703125	140.0
249.87411499023438	140.0
250.08712768554688	3384.0
251.0895233154297	672.0
251.265869140625	148.0
251.68324279785156	180.0
253.07763671875	140.0
253.10296630859375	176.0
254.253662109375	196.0
254.9586944580078	152.0
256.0307922363281	224.0
258.0836181640625	216.0
258.13531494140625	148.0
259.0705261230469	448.0
260.07763671875	144.0
261.0357971191406	196.0
261.0811767578125	488.0
262.0368347167969	240.0
262.0866394042969	20108.0
262.25079345703125	140.0
262.7815856933594	164.0
263.0922546386719	8960.0
264.10076904296875	4156.0
264.4447021484375	136.0
264.7961120605469	116.0
265.1046142578125	1120.0
266.10260009765625	136.0
266.4692687988281	176.0
266.97796630859375	104.0
267.1045837402344	252.0
267.1940612792969	156.0
267.4284973144531	188.0
267.48876953125	136.0
267.63580322265625	188.0
267.8235168457031	144.0
267.8746337890625	188.0
267.9691162109375	216.0
268.011474609375	160.0
268.0628356933594	336.0
268.1099853515625	112480.0
268.18695068359375	252.0
268.2243347167969	152.0
268.30914306640625	96.0
268.35858154296875	128.0
268.40185546875	120.0
268.4247131347656	136.0
268.53131103515625	204.0
268.6034240722656	152.0
268.6448059082031	1228.0
268.8305969238281	104.0
268.89520263671875	148.0
268.91937255859375	104.0
268.970947265625	204.0
269.07061767578125	152.0
269.1121826171875	25072.0
270.1148986816406	2456.0
270.26983642578125	128.0
270.573974609375	96.0
270.7615661621094	128.0
270.8097229003906	104.0
270.9263916015625	104.0
271.04705810546875	188.0
271.08551025390625	148.0
271.122314453125	180.0
271.1531066894531	124.0
271.2422180175781	188.0
271.98016357421875	96.0
272.06976318359375	760.0
272.1342468261719	148.0
272.2213134765625	232.0
273.0431213378906	276.0
273.0902099609375	660.0
273.4014892578125	144.0
274.08599853515625	4408.0
274.1599426269531	140.0
275.090576171875	1256.0
276.09698486328125	248.0
276.4970703125	140.0
277.0862121582031	104.0
278.1107482910156	104.0
279.1779479980469	148.0
285.0443420410156	140.0
286.0752868652344	116.0
288.0982360839844	136.0
289.1009216308594	116.0
290.1010437011719	172.0
291.114990234375	608.0
292.1058349609375	180.0
297.0855407714844	144.0
302.0823669433594	7244.0
303.0852355957031	1192.0
303.6171569824219	144.0
314.0961608886719	176.0
315.1163024902344	124.0
317.08245849609375	116.0
318.0998840332031	104.0
319.1050720214844	232.0
319.14984130859375	180.0
328.7896728515625	156.0
335.25946044921875	208.0
336.1784362792969	180.0
337.3033447265625	144.0
338.84033203125	152.0
340.5277099609375	156.0
346.1590881347656	144.0
347.1107177734375	148.0
348.1021728515625	148.0
351.15380859375	220.0
353.9977722167969	148.0
359.10650634765625	268.0
361.1387634277344	116.0
361.5835266113281	204.0
362.1493835449219	164.0
370.24090576171875	144.0
371.935546875	144.0
374.022705078125	168.0
385.1122741699219	176.0
386.0345764160156	164.0
388.1226806640625	212.0
388.1844177246094	148.0
389.1370849609375	1524.0
389.3185119628906	168.0
389.73565673828125	104.0
390.0646057128906	152.0
390.1459045410156	36028.0
390.22149658203125	204.0
390.70452880859375	140.0
390.74566650390625	140.0
391.1468811035156	5504.0
392.151611328125	1340.0
393.1520080566406	148.0
393.23968505859375	184.0
393.3003234863281	144.0
393.37335205078125	116.0
393.4410095214844	152.0
393.4979553222656	188.0
393.6660461425781	148.0
394.8674621582031	152.0
483.7934265136719	140.0
518.345947265625	100.0
687.7954711914062	144.0
697.338623046875	168.0
1144.97021484375	172.0
1252.602294921875	268.0
1259.232421875	208.0
1438.5821533203125	184.0
1460.8157958984375	156.0
1487.8380126953125	212.0
1560.9637451171875	192.0
1614.5411376953125	168.0
1628.26953125	220.0
1685.06298828125	184.0
1700.080078125	192.0
1788.6685791015625	144.0
1792.5511474609375	140.0
1798.8765869140625	164.0
1817.0885009765625	180.0
1830.024169921875	176.0
1852.11669921875	160.0
1853.3931884765625	156.0
1860.056884765625	188.0
1879.2135009765625	140.0
1893.83154296875	188.0
1912.734375	168.0
1931.4859619140625	172.0
1988.174560546875	168.0
1990.677978515625	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078957
PEPMASS=501.197845
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=35.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=FLUTICASONE PROPIONATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)C(=O)SCF
INCHI=InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
INCHIAUX=WMWTYOKRWGGJOA-CENSZEJFSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078957
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078957
SCANS=2375
45.593013763427734	148.0
45.754425048828125	160.0
45.97548294067383	144.0
46.415130615234375	208.0
47.013675689697266	144.0
47.043704986572266	152.0
47.19261932373047	176.0
47.47744369506836	176.0
47.86772155761719	168.0
48.74751663208008	156.0
48.99518585205078	180.0
50.35162353515625	212.0
51.48208999633789	152.0
51.57352828979492	204.0
51.76810073852539	196.0
51.81966781616211	144.0
53.8653678894043	164.0
54.401329040527344	140.0
54.80872344970703	140.0
55.08018112182617	140.0
55.17032241821289	164.0
55.23686599731445	228.0
55.28273391723633	184.0
55.3271369934082	140.0
56.06834030151367	140.0
56.61811828613281	156.0
56.79347610473633	180.0
57.13747787475586	204.0
57.799842834472656	232.0
58.58784103393555	144.0
59.05095672607422	232.0
59.77752685546875	184.0
59.91610336303711	148.0
60.39154815673828	156.0
61.1564826965332	200.0
62.257144927978516	216.0
62.3231201171875	156.0
63.88199996948242	220.0
64.83842468261719	168.0
64.94584655761719	176.0
65.04854583740234	152.0
65.6809310913086	176.0
65.7551498413086	208.0
66.1802978515625	168.0
66.3536605834961	168.0
68.59172058105469	160.0
68.64447784423828	180.0
68.86396789550781	176.0
68.93335723876953	184.0
69.30731964111328	144.0
69.5079574584961	144.0
69.87681579589844	212.0
71.94664001464844	168.0
73.4894027709961	148.0
73.75410461425781	188.0
75.41450500488281	172.0
76.49340057373047	184.0
76.53866577148438	208.0
77.01651000976562	160.0
77.96260070800781	140.0
78.20354461669922	144.0
78.34617614746094	164.0
79.72808837890625	228.0
81.39120483398438	160.0
82.39803314208984	176.0
82.42332458496094	144.0
83.02432250976562	144.0
83.16764831542969	164.0
84.7341079711914	184.0
84.77442169189453	168.0
85.00547790527344	152.0
85.37287902832031	160.0
86.058349609375	156.0
86.10820770263672	176.0
86.20427703857422	168.0
86.57610321044922	152.0
87.89781188964844	148.0
89.47410583496094	164.0
89.55131530761719	148.0
89.93594360351562	152.0
90.56747436523438	172.0
91.05413055419922	128.0
91.26964569091797	160.0
91.64270782470703	156.0
91.81236267089844	164.0
92.03180694580078	184.0
92.05854034423828	160.0
93.67925262451172	172.0
95.08219909667969	308.0
95.25387573242188	236.0
95.49878692626953	144.0
95.75180053710938	160.0
96.08512878417969	148.0
96.11829376220703	152.0
96.4991683959961	196.0
96.52067565917969	184.0
96.71044158935547	148.0
97.39277648925781	184.0
97.90413665771484	240.0
97.94549560546875	164.0
98.11299133300781	156.0
98.2076416015625	216.0
98.43855285644531	156.0
99.02788543701172	176.0
99.06156158447266	152.0
99.20423889160156	172.0
99.4204330444336	164.0
99.90406036376953	148.0
100.0007553100586	156.0
100.03459930419922	176.0
100.41117858886719	168.0
100.56281280517578	228.0
100.6546401977539	156.0
100.95238494873047	184.0
101.05239868164062	148.0
101.07840728759766	176.0
101.78599548339844	152.0
101.89445495605469	168.0
101.9848861694336	180.0
102.41546630859375	184.0
103.05294036865234	296.0
104.06564331054688	252.0
105.07007598876953	664.0
105.10777282714844	148.0
105.8825454711914	180.0
106.06874084472656	144.0
106.98928833007812	196.0
107.05301666259766	156.0
107.0854263305664	2324.0
107.40554809570312	164.0
108.02731323242188	144.0
108.08513641357422	316.0
108.8563461303711	152.0
109.04539489746094	272.0
109.06302642822266	312.0
109.1012191772461	1472.0
109.15349578857422	144.0
109.27542114257812	136.0
110.10262298583984	176.0
110.23328399658203	168.0
110.25209045410156	176.0
110.29389190673828	160.0
111.06059265136719	164.0
111.08331298828125	168.0
111.11058044433594	160.0
111.2302017211914	184.0
111.30577850341797	180.0
113.04312896728516	192.0
113.0748519897461	156.0
113.46422576904297	168.0
114.3180923461914	148.0
114.35001373291016	236.0
114.67161560058594	180.0
115.50892639160156	184.0
115.8296890258789	168.0
116.17300415039062	152.0
116.18982696533203	152.0
117.07148742675781	696.0
117.50650024414062	160.0
117.84979248046875	172.0
118.02919006347656	184.0
118.068115234375	152.0
118.5508804321289	212.0
118.82174682617188	156.0
119.04981994628906	204.0
119.08525085449219	212.0
119.56287384033203	152.0
119.86774444580078	180.0
120.74533081054688	140.0
121.06558990478516	5528.0
121.10256958007812	160.0
121.24957275390625	136.0
121.2889404296875	212.0
121.55704498291016	200.0
121.66561889648438	208.0
121.71831512451172	216.0
122.06907653808594	1108.0
123.06287384033203	204.0
123.08049011230469	364.0
123.67157745361328	204.0
124.5096435546875	196.0
125.07926940917969	220.0
125.20573425292969	152.0
125.87920379638672	208.0
126.12272644042969	176.0
126.58377838134766	96.0
126.72694396972656	164.0
127.07447052001953	180.0
127.16197967529297	196.0
127.28321075439453	160.0
127.38990020751953	348.0
127.58202362060547	168.0
127.8609390258789	168.0
128.06484985351562	236.0
128.37908935546875	180.0
129.04067993164062	156.0
129.06930541992188	448.0
129.42984008789062	160.0
130.05101013183594	160.0
130.86483764648438	184.0
130.9399871826172	148.0
131.05242919921875	320.0
131.08558654785156	1008.0
132.06060791015625	264.0
132.0912322998047	280.0
132.43368530273438	140.0
133.06500244140625	1232.0
133.1049041748047	152.0
133.5813751220703	188.0
133.72402954101562	140.0
134.07192993164062	156.0
135.0467071533203	132.0
135.08059692382812	3240.0
135.1136016845703	196.0
135.33302307128906	176.0
135.5832061767578	180.0
135.66200256347656	192.0
135.68055725097656	152.0
136.04710388183594	172.0
136.08531188964844	356.0
137.06114196777344	148.0
137.08132934570312	200.0
137.6279296875	140.0
138.7799072265625	128.0
139.05625915527344	1364.0
139.09112548828125	356.0
139.10989379882812	152.0
139.1873779296875	144.0
139.51866149902344	208.0
140.05874633789062	264.0
140.58799743652344	184.0
140.62576293945312	152.0
140.80755615234375	192.0
141.068603515625	432.0
142.07772827148438	132.0
142.21629333496094	256.0
142.41098022460938	176.0
142.96017456054688	172.0
143.08279418945312	668.0
144.05569458007812	180.0
144.09242248535156	140.0
144.19313049316406	176.0
144.37242126464844	164.0
144.92538452148438	196.0
145.06517028808594	1328.0
145.09886169433594	256.0
146.06826782226562	472.0
147.0576171875	212.0
147.07981872558594	1256.0
147.11395263671875	152.0
147.71026611328125	140.0
148.08438110351562	324.0
149.06304931640625	176.0
149.08062744140625	376.0
149.58998107910156	184.0
150.08111572265625	156.0
150.33999633789062	96.0
150.47637939453125	192.0
150.78660583496094	228.0
150.8443145751953	176.0
151.0555419921875	408.0
151.09140014648438	1240.0
151.62850952148438	192.0
152.0639190673828	188.0
152.09593200683594	464.0
152.1337890625	156.0
152.38429260253906	156.0
153.0385284423828	192.0
153.0712890625	532.0
154.07815551757812	152.0
154.3833465576172	184.0
155.0294647216797	156.0
155.0880889892578	2464.0
155.87814331054688	156.0
156.08901977539062	420.0
157.0670623779297	772.0
157.101318359375	500.0
157.45005798339844	148.0
158.07455444335938	276.0
158.10643005371094	108.0
159.0803680419922	2520.0
159.11598205566406	128.0
159.1503448486328	180.0
159.19805908203125	156.0
160.04295349121094	164.0
160.08570861816406	728.0
160.11460876464844	124.0
161.076171875	412.0
161.096435546875	832.0
162.04078674316406	176.0
162.06320190429688	132.0
162.09214782714844	148.0
162.70779418945312	184.0
163.05816650390625	276.0
163.09054565429688	548.0
163.50848388671875	168.0
163.61538696289062	196.0
164.07395935058594	188.0
164.1005859375	212.0
164.97769165039062	144.0
165.0391845703125	144.0
165.0714874267578	732.0
165.1226043701172	164.0
165.17713928222656	204.0
165.65325927734375	168.0
166.0708770751953	152.0
167.0540313720703	252.0
167.0858612060547	512.0
167.407470703125	180.0
167.67539978027344	196.0
167.70375061035156	208.0
168.13961791992188	156.0
168.82421875	172.0
169.0626220703125	860.0
169.10301208496094	148.0
169.1683349609375	184.0
169.40916442871094	220.0
169.5879669189453	184.0
170.07125854492188	428.0
170.1012725830078	120.0
170.7277069091797	164.0
170.8603515625	216.0
170.98785400390625	160.0
171.0808868408203	6228.0
171.40823364257812	104.0
172.08334350585938	1080.0
172.13751220703125	204.0
172.25503540039062	144.0
173.0569305419922	436.0
173.0911865234375	1224.0
173.20455932617188	168.0
174.0812530517578	292.0
174.09857177734375	472.0
174.19744873046875	216.0
174.27227783203125	168.0
174.61663818359375	144.0
175.0245361328125	172.0
175.07701110839844	344.0
175.11289978027344	164.0
175.15093994140625	160.0
175.40127563476562	192.0
175.77049255371094	188.0
175.8971710205078	144.0
176.0635986328125	160.0
176.10047912597656	208.0
177.07164001464844	1056.0
177.0946502685547	484.0
178.0745391845703	352.0
178.11087036132812	176.0
178.65184020996094	160.0
179.01242065429688	164.0
179.04879760742188	704.0
179.0873565673828	9124.0
179.18455505371094	160.0
179.38072204589844	136.0
180.0537109375	148.0
180.0918426513672	1288.0
180.395263671875	108.0
181.07835388183594	432.0
181.10092163085938	1300.0
181.28842163085938	164.0
181.3661346435547	148.0
181.45191955566406	224.0
181.6798858642578	156.0
182.0826873779297	180.0
182.103759765625	140.0
182.1416015625	252.0
182.808349609375	152.0
182.99139404296875	140.0
183.07962036132812	456.0
184.09063720703125	184.0
184.13201904296875	148.0
184.24276733398438	200.0
184.7023162841797	160.0
185.0081024169922	144.0
185.05963134765625	4632.0
185.0965118408203	1372.0
185.5933074951172	148.0
186.06344604492188	832.0
186.10194396972656	388.0
186.23788452148438	168.0
187.0751190185547	916.0
187.76878356933594	168.0
187.8206024169922	168.0
188.08120727539062	468.0
188.7464141845703	164.0
189.0705108642578	812.0
189.1055145263672	276.0
189.54859924316406	132.0
189.64707946777344	240.0
189.78414916992188	260.0
190.0807342529297	164.0
191.05026245117188	208.0
191.086181640625	428.0
191.17132568359375	180.0
192.0911407470703	220.0
192.24053955078125	164.0
193.06214904785156	256.0
193.09991455078125	504.0
193.4815673828125	176.0
194.1088104248047	216.0
194.40455627441406	224.0
194.7904815673828	160.0
195.08709716796875	516.0
196.0868377685547	856.0
196.15640258789062	132.0
196.834716796875	176.0
197.0980987548828	684.0
197.80764770507812	140.0
198.09767150878906	288.0
199.0748748779297	1020.0
199.11309814453125	604.0
199.50198364257812	172.0
200.0811309814453	148.0
200.1181182861328	196.0
200.3349609375	204.0
201.0748291015625	3052.0
201.1048126220703	436.0
201.56507873535156	140.0
202.03724670410156	152.0
202.07794189453125	772.0
202.10894775390625	316.0
202.77061462402344	140.0
203.078369140625	292.0
203.948486328125	140.0
204.0924835205078	356.0
204.6112823486328	144.0
204.64718627929688	112.0
205.0668182373047	18112.0
205.09642028808594	920.0
205.16868591308594	128.0
205.34646606445312	200.0
205.41429138183594	128.0
206.0058135986328	188.0
206.0702667236328	1692.0
206.10824584960938	316.0
207.07997131347656	996.0
207.10984802246094	284.0
207.25318908691406	144.0
208.0914306640625	276.0
208.55319213867188	156.0
209.02716064453125	188.0
209.0476531982422	176.0
209.09690856933594	1616.0
209.63531494140625	152.0
210.06396484375	160.0
210.10269165039062	892.0
210.5411376953125	208.0
211.08956909179688	132.0
211.1133575439453	516.0
212.1153564453125	168.0
212.5153045654297	176.0
213.0783233642578	204.0
213.1097412109375	1304.0
214.1150665283203	244.0
215.08837890625	296.0
216.09056091308594	384.0
216.56155395507812	176.0
217.0767059326172	140.0
217.10440063476562	740.0
217.99642944335938	180.0
218.0748748779297	148.0
218.10874938964844	516.0
219.02883911132812	184.0
219.08203125	600.0
219.1157989501953	480.0
219.84255981445312	140.0
220.0923309326172	136.0
220.5306854248047	184.0
221.09518432617188	1276.0
221.3383026123047	160.0
221.5071258544922	176.0
222.10276794433594	996.0
223.04505920410156	108.0
223.07797241210938	164.0
223.11163330078125	2040.0
224.07936096191406	288.0
224.1157989501953	180.0
224.61041259765625	196.0
225.0732879638672	640.0
225.1134033203125	452.0
226.0857391357422	288.0
226.5594482421875	156.0
226.9499969482422	176.0
227.08175659179688	268.0
227.138916015625	136.0
228.09286499023438	160.0
228.3394012451172	172.0
229.09869384765625	160.0
229.31488037109375	164.0
230.639892578125	200.0
231.0836639404297	276.0
231.12098693847656	348.0
232.0868682861328	156.0
232.125244140625	896.0
232.43275451660156	224.0
233.09527587890625	456.0
233.12765502929688	544.0
234.0589599609375	152.0
234.1068115234375	800.0
234.88182067871094	144.0
235.05532836914062	128.0
235.11151123046875	1668.0
235.94757080078125	172.0
236.0240020751953	176.0
236.11924743652344	1320.0
237.05450439453125	164.0
237.093994140625	576.0
237.12669372558594	708.0
237.16600036621094	264.0
237.87103271484375	168.0
238.06790161132812	176.0
238.10079956054688	324.0
238.13131713867188	320.0
238.18768310546875	140.0
238.80548095703125	188.0
239.09130859375	816.0
239.13880920410156	176.0
239.1710662841797	100.0
240.10174560546875	344.0
241.07083129882812	144.0
241.0977325439453	152.0
241.14869689941406	232.0
242.10740661621094	532.0
243.08116149902344	168.0
243.11732482910156	468.0
243.31394958496094	168.0
243.50889587402344	164.0
243.9756622314453	228.0
244.08758544921875	152.0
244.13414001464844	128.0
244.36752319335938	140.0
244.5422821044922	152.0
245.0914764404297	1132.0
245.13063049316406	216.0
245.17941284179688	136.0
246.1036834716797	1468.0
246.13955688476562	280.0
247.08172607421875	136.0
247.1082305908203	652.0
247.14816284179688	1860.0
247.1990966796875	116.0
248.01185607910156	140.0
248.07205200195312	160.0
248.11138916015625	392.0
248.15127563476562	424.0
249.0806427001953	312.0
249.12551879882812	1004.0
250.13351440429688	1092.0
251.057373046875	100.0
251.10943603515625	500.0
251.14346313476562	4940.0
251.43186950683594	184.0
252.0608673095703	124.0
252.1144256591797	232.0
252.14443969726562	1244.0
253.07386779785156	280.0
253.1207275390625	864.0
254.07272338867188	140.0
254.16249084472656	164.0
254.86328125	156.0
255.12001037597656	476.0
255.1779327392578	160.0
256.0530090332031	164.0
256.1152648925781	164.0
256.86895751953125	188.0
257.0730895996094	180.0
257.13336181640625	1216.0
257.97064208984375	172.0
258.14190673828125	536.0
258.4727478027344	156.0
259.1126403808594	320.0
259.14910888671875	492.0
259.2316589355469	164.0
259.4547424316406	108.0
259.6612548828125	152.0
259.8440856933594	236.0
260.07501220703125	108.0
260.1198425292969	3704.0
260.2388610839844	184.0
261.0836181640625	116.0
261.1257629394531	3240.0
261.52935791015625	120.0
261.7629699707031	172.0
262.071533203125	120.0
262.1330871582031	740.0
262.2078552246094	160.0
262.73956298828125	140.0
263.1065673828125	240.0
263.1376037597656	472.0
264.0412902832031	188.0
264.1138610839844	296.0
265.0124206542969	148.0
265.1165771484375	404.0
265.1597900390625	18108.0
265.2176208496094	312.0
265.8186340332031	100.0
266.1221618652344	132.0
266.16204833984375	3716.0
266.3217468261719	132.0
267.1474304199219	704.0
267.7752685546875	108.0
267.8485107421875	148.0
268.0654296875	156.0
268.095458984375	152.0
268.1530456542969	356.0
269.138671875	304.0
269.4698181152344	176.0
269.60052490234375	148.0
269.8097229003906	152.0
270.10394287109375	172.0
270.13604736328125	332.0
270.24468994140625	180.0
270.8274230957031	144.0
271.0998840332031	220.0
271.1459045410156	184.0
272.1191101074219	116.0
272.15997314453125	232.0
273.0751647949219	124.0
273.1263732910156	316.0
273.17108154296875	172.0
273.45733642578125	172.0
273.64825439453125	140.0
274.1310119628906	360.0
274.3631896972656	164.0
274.7853088378906	144.0
275.08660888671875	232.0
275.1434020996094	17768.0
275.6371765136719	196.0
276.14776611328125	6172.0
276.3108215332031	168.0
276.83465576171875	180.0
277.0234375	156.0
277.15496826171875	2020.0
277.7659606933594	156.0
277.9716491699219	240.0
278.12615966796875	788.0
279.1383056640625	908.0
279.5068359375	140.0
280.12542724609375	368.0
281.09588623046875	136.0
281.1344299316406	944.0
281.2557373046875	144.0
282.0784912109375	124.0
282.1065979003906	96.0
282.13336181640625	280.0
282.2185974121094	160.0
283.09527587890625	252.0
283.1690368652344	432.0
283.71514892578125	168.0
284.1279602050781	152.0
284.16253662109375	172.0
284.20037841796875	152.0
285.12371826171875	432.0
285.1647033691406	2424.0
285.24591064453125	148.0
286.0868835449219	168.0
286.1334533691406	372.0
286.16790771484375	404.0
287.142578125	380.0
287.5531311035156	184.0
288.1144714355469	352.0
288.1600036621094	200.0
288.8302917480469	160.0
289.0265197753906	140.0
289.123291015625	120.0
289.1544494628906	212.0
289.79510498046875	212.0
290.1189270019531	176.0
291.07501220703125	288.0
291.1396484375	768.0
291.48870849609375	136.0
291.75335693359375	168.0
291.9762878417969	136.0
292.1415100097656	416.0
292.6755065917969	164.0
292.77984619140625	136.0
292.8183898925781	192.0
292.900146484375	152.0
292.9273986816406	156.0
293.0534362792969	180.0
293.093017578125	144.0
293.1546936035156	50064.0
293.2357177734375	196.0
293.3154602050781	244.0
293.3963317871094	100.0
293.7635803222656	148.0
293.8943176269531	128.0
294.0674743652344	328.0
294.1578674316406	10144.0
294.283935546875	192.0
294.36761474609375	144.0
294.4676208496094	148.0
294.53814697265625	124.0
294.81512451171875	168.0
295.0483703613281	108.0
295.150390625	13468.0
295.47235107421875	124.0
295.7628173828125	124.0
295.91094970703125	160.0
295.9922790527344	240.0
296.035400390625	228.0
296.15447998046875	4264.0
296.37152099609375	128.0
296.453857421875	108.0
296.9074401855469	104.0
297.15960693359375	632.0
298.1348571777344	256.0
298.16864013671875	116.0
298.6058654785156	192.0
298.8242492675781	140.0
299.0941162109375	264.0
299.1429748535156	396.0
301.91668701171875	160.0
303.1387634277344	2040.0
303.2010498046875	180.0
304.08197021484375	140.0
304.14471435546875	808.0
305.0962219238281	160.0
305.153076171875	628.0
306.135986328125	236.0
306.1806335449219	116.0
307.14691162109375	380.0
307.16510009765625	496.0
308.11968994140625	144.0
308.58258056640625	148.0
309.1210632324219	244.0
309.15728759765625	144.0
309.6546630859375	140.0
310.1734924316406	184.0
311.16253662109375	2580.0
311.2433776855469	164.0
311.9902648925781	180.0
312.1613464355469	768.0
312.3074645996094	176.0
312.8608093261719	96.0
312.9638977050781	184.0
313.00860595703125	256.0
313.0408020019531	172.0
313.0863952636719	148.0
313.1610412597656	64588.0
313.41448974609375	104.0
313.5422058105469	164.0
313.5727844238281	132.0
313.64971923828125	176.0
313.8348388671875	100.0
314.1631774902344	9816.0
314.2293395996094	120.0
314.38079833984375	200.0
314.81671142578125	152.0
315.10491943359375	164.0
315.1580810546875	3936.0
315.2047424316406	176.0
316.0585632324219	136.0
316.1622619628906	780.0
316.35162353515625	148.0
316.3959655761719	140.0
316.7246398925781	168.0
317.7123107910156	144.0
319.0957946777344	296.0
320.098388671875	160.0
321.1466979980469	3324.0
321.5252990722656	168.0
322.15020751953125	1044.0
323.1436767578125	2356.0
323.7815856933594	192.0
324.10400390625	160.0
324.1529235839844	620.0
325.1647033691406	560.0
326.11688232421875	140.0
326.1429138183594	372.0
326.9109191894531	104.0
327.1059875488281	148.0
327.1534118652344	112.0
330.1443176269531	160.0
331.156005859375	4156.0
331.8343811035156	112.0
332.1580505371094	1216.0
333.0473327636719	160.0
333.1673583984375	11056.0
333.47869873046875	108.0
333.697021484375	112.0
334.16925048828125	2436.0
335.1040344238281	140.0
335.173828125	524.0
335.7952880859375	152.0
336.125	140.0
336.1708984375	108.0
337.10394287109375	144.0
338.11163330078125	540.0
339.1408996582031	2112.0
340.1241760253906	276.0
340.4027404785156	140.0
341.1437072753906	4032.0
341.5052490234375	172.0
342.0166931152344	160.0
342.1448974609375	920.0
342.5763854980469	148.0
342.91168212890625	160.0
343.1502685546875	1460.0
344.1538391113281	588.0
344.9547424316406	100.0
345.1676940917969	188.0
346.1693115234375	136.0
346.481201171875	164.0
347.09613037109375	132.0
347.18341064453125	160.0
348.1131896972656	148.0
348.5307312011719	108.0
349.1325988769531	256.0
349.18341064453125	284.0
349.2243957519531	196.0
349.77880859375	160.0
349.9686584472656	192.0
351.11883544921875	176.0
351.1749572753906	736.0
351.91119384765625	156.0
352.12286376953125	124.0
352.17059326171875	96.0
353.8141784667969	164.0
354.1795959472656	124.0
357.15582275390625	112.0
359.1475524902344	5816.0
360.1491394042969	2236.0
360.5613708496094	100.0
361.1463623046875	8068.0
361.6009521484375	96.0
361.7802429199219	192.0
362.1482849121094	1196.0
363.14520263671875	732.0
363.7544250488281	132.0
366.1391906738281	148.0
367.1328430175781	764.0
367.1920471191406	740.0
368.1439514160156	144.0
368.2039489746094	148.0
369.1319580078125	6932.0
369.1820373535156	832.0
370.1366271972656	1848.0
370.1865234375	108.0
370.54339599609375	144.0
371.1284484863281	956.0
371.2010498046875	128.0
372.1250915527344	292.0
372.192626953125	144.0
373.1070556640625	184.0
373.14935302734375	152.0
377.1275634765625	172.0
377.1702575683594	140.0
378.18450927734375	120.0
379.1575012207031	2628.0
379.2218933105469	200.0
380.1633605957031	824.0
381.14923095703125	3700.0
381.22344970703125	292.0
381.4944152832031	120.0
382.154052734375	732.0
382.8072814941406	160.0
383.1188659667969	144.0
383.15130615234375	148.0
384.1363220214844	160.0
385.0379333496094	144.0
385.0769958496094	184.0
385.1632385253906	148.0
386.374755859375	152.0
387.1424255371094	5252.0
387.19525146484375	296.0
388.14520263671875	1132.0
388.1988830566406	148.0
389.0270690917969	268.0
389.1392822265625	5996.0
389.202392578125	228.0
389.3861389160156	112.0
390.1437683105469	2512.0
391.1391296386719	748.0
392.1403503417969	148.0
395.7378845214844	176.0
396.1951599121094	176.0
397.1683654785156	152.0
399.1596984863281	224.0
399.2138366699219	180.0
400.1717834472656	144.0
405.15289306640625	2340.0
406.1551208496094	656.0
406.6968688964844	184.0
407.14935302734375	5100.0
407.2095642089844	580.0
408.1517333984375	1452.0
408.1933898925781	204.0
409.1451721191406	508.0
409.25360107421875	208.0
410.14044189453125	408.0
410.17108154296875	212.0
415.1756286621094	500.0
415.1983947753906	436.0
416.1815185546875	296.0
418.1699523925781	192.0
421.22979736328125	160.0
425.16058349609375	1192.0
426.0595703125	148.0
426.1650695800781	244.0
427.15765380859375	124.0
428.1471862792969	156.0
433.1904296875	100.0
435.1984558105469	1100.0
436.20758056640625	256.0
443.1718444824219	432.0
444.1637268066406	176.0
445.16259765625	176.0
450.5243225097656	160.0
451.0704345703125	120.0
461.17608642578125	728.0
462.18365478515625	352.0
463.17333984375	2216.0
464.1842041015625	660.0
465.1906433105469	124.0
466.17572021484375	240.0
479.2403564453125	120.0
481.18511962890625	4544.0
482.19097900390625	1628.0
483.17962646484375	1352.0
484.18560791015625	468.0
496.56439208984375	152.0
499.9349365234375	176.0
500.62493896484375	176.0
501.19268798828125	6420.0
501.3243408203125	140.0
502.19580078125	1780.0
502.40960693359375	112.0
503.135986328125	116.0
503.18780517578125	688.0
503.2691650390625	160.0
503.6800231933594	156.0
504.196044921875	208.0
504.3358154296875	120.0
565.0903930664062	156.0
787.8103637695312	228.0
1064.865966796875	140.0
1254.701904296875	248.0
1276.865234375	224.0
1371.533447265625	120.0
1394.521728515625	160.0
1444.475830078125	140.0
1489.918701171875	180.0
1552.6549072265625	148.0
1553.800048828125	164.0
1561.796875	148.0
1569.625	156.0
1589.0667724609375	144.0
1629.23291015625	192.0
1650.8582763671875	200.0
1691.784912109375	196.0
1766.6236572265625	200.0
1782.6041259765625	156.0
1786.816650390625	144.0
1790.7982177734375	160.0
1791.0677490234375	148.0
1811.36572265625	236.0
1814.8912353515625	220.0
1837.8480224609375	156.0
1847.99853515625	164.0
1871.4385986328125	188.0
1880.654052734375	188.0
1887.056396484375	164.0
1909.5057373046875	156.0
1915.136962890625	280.0
1935.9927978515625	152.0
1952.40673828125	152.0
1965.23779296875	152.0
1965.529052734375	152.0
1969.4310302734375	160.0
1973.0982666015625	216.0
1974.84033203125	216.0
1996.11572265625	200.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078958
PEPMASS=279.1492
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=LOMIFYLLINE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(=O)CCCCn1cnc2n(C)c(=O)n(C)c(=O)c12
INCHI=InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-8-14-11-10(17)12(19)16(3)13(20)15(11)2/h8H,4-7H2,1-3H3
INCHIAUX=XBEDAMVJWVPVDS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078958
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078958
SCANS=1079
47.49833679199219	216.0
47.97377395629883	148.0
48.00272750854492	180.0
48.0330696105957	148.0
48.79473876953125	156.0
51.85688400268555	148.0
52.20862579345703	144.0
53.855098724365234	216.0
55.27824783325195	160.0
57.44626235961914	148.0
58.213626861572266	276.0
58.342777252197266	152.0
59.605255126953125	176.0
59.712867736816406	148.0
60.071754455566406	152.0
60.6624755859375	204.0
61.4665641784668	156.0
61.70553970336914	156.0
61.849456787109375	140.0
62.23825454711914	152.0
65.95214080810547	160.0
66.7335205078125	144.0
68.71699523925781	184.0
69.1168441772461	196.0
69.30726623535156	140.0
70.32168579101562	184.0
70.33837890625	192.0
72.5997085571289	212.0
72.77108764648438	184.0
76.9675521850586	184.0
78.12606048583984	192.0
79.86670684814453	180.0
80.95360565185547	164.0
81.30138397216797	164.0
82.83213806152344	276.0
86.74464416503906	224.0
87.4393081665039	164.0
89.97174072265625	176.0
92.72038269042969	200.0
93.05223083496094	248.0
93.12328338623047	168.0
94.45904541015625	156.0
94.95683288574219	244.0
96.0537338256836	156.0
97.04142761230469	168.0
97.18656921386719	168.0
97.34949493408203	160.0
97.70919036865234	216.0
98.00254821777344	156.0
98.78236389160156	164.0
99.01988983154297	168.0
99.0809097290039	12152.0
100.0837631225586	1000.0
100.71647644042969	156.0
100.88632202148438	144.0
101.20442962646484	176.0
107.72541809082031	224.0
107.9486312866211	168.0
109.03026580810547	168.0
111.6482162475586	192.0
117.46110534667969	144.0
122.08519744873047	176.0
122.31620788574219	180.0
122.7612533569336	160.0
124.05127716064453	3348.0
125.05303192138672	140.0
125.8679428100586	144.0
126.08686065673828	140.0
128.06121826171875	192.0
131.07656860351562	212.0
134.00717163085938	176.0
136.7303466796875	224.0
137.05636596679688	168.0
140.7790985107422	188.0
142.0654754638672	220.0
146.6121368408203	152.0
147.0872802734375	188.0
148.837646484375	180.0
149.10853576660156	124.0
149.82022094726562	208.0
150.05905151367188	176.0
151.1019287109375	180.0
151.12315368652344	336.0
151.99868774414062	152.0
153.33399963378906	236.0
157.7322540283203	168.0
158.5933074951172	180.0
162.56298828125	156.0
163.11412048339844	160.0
166.06324768066406	220.0
167.11520385742188	128.0
167.62008666992188	184.0
167.85829162597656	164.0
168.05691528320312	160.0
169.9275360107422	144.0
175.2245635986328	224.0
178.13099670410156	240.0
178.8046417236328	164.0
179.049560546875	144.0
179.13214111328125	140.0
180.47720336914062	184.0
180.5306854248047	160.0
180.86744689941406	124.0
180.91329956054688	144.0
181.02899169921875	280.0
181.07260131835938	57192.0
181.45713806152344	152.0
181.76181030273438	156.0
182.07521057128906	3428.0
182.13607788085938	176.0
183.07630920410156	1096.0
183.1568603515625	152.0
183.3485565185547	172.0
183.4556121826172	180.0
190.55799865722656	152.0
195.7999725341797	192.0
195.90859985351562	140.0
199.08030700683594	160.0
200.0757293701172	156.0
205.0013427734375	192.0
205.10108947753906	180.0
206.5316162109375	152.0
207.25588989257812	156.0
207.4020538330078	148.0
220.09033203125	160.0
221.10723876953125	180.0
222.12332153320312	200.0
226.51731872558594	168.0
231.09030151367188	172.0
239.9754638671875	192.0
240.07373046875	152.0
252.55519104003906	220.0
254.36764526367188	164.0
255.54666137695312	200.0
260.5116271972656	192.0
261.06768798828125	176.0
269.7735595703125	204.0
277.4739074707031	204.0
277.923583984375	172.0
278.349853515625	152.0
278.50860595703125	140.0
278.55206298828125	168.0
278.8870849609375	196.0
278.9766845703125	180.0
279.0010681152344	188.0
279.0910339355469	140.0
279.14569091796875	46712.0
279.32696533203125	200.0
279.47265625	160.0
279.75872802734375	152.0
280.1473693847656	4196.0
280.32122802734375	132.0
281.1543273925781	756.0
281.6268615722656	156.0
281.7617492675781	132.0
282.06939697265625	128.0
282.1531982421875	260.0
312.2080078125	216.0
625.17041015625	140.0
696.4656982421875	184.0
1252.6783447265625	140.0
1372.629638671875	168.0
1391.140869140625	156.0
1428.1142578125	176.0
1435.9395751953125	164.0
1528.1959228515625	160.0
1581.79150390625	168.0
1581.9884033203125	152.0
1586.988525390625	152.0
1593.591064453125	160.0
1610.4713134765625	168.0
1617.556640625	192.0
1648.787353515625	164.0
1654.3441162109375	176.0
1662.1490478515625	156.0
1671.330810546875	176.0
1674.3834228515625	156.0
1674.8966064453125	216.0
1682.9783935546875	160.0
1683.7296142578125	140.0
1686.6219482421875	152.0
1696.034912109375	264.0
1708.3685302734375	172.0
1708.878662109375	148.0
1711.685302734375	140.0
1730.4034423828125	200.0
1783.3507080078125	164.0
1807.13134765625	160.0
1807.3428955078125	152.0
1838.11962890625	228.0
1850.710205078125	144.0
1860.0032958984375	172.0
1876.8912353515625	156.0
1878.9266357421875	204.0
1881.265380859375	184.0
1886.509033203125	172.0
1898.197265625	168.0
1936.25390625	156.0
1941.7052001953125	232.0
1947.216796875	172.0
1963.6748046875	232.0
1988.2255859375	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078959
PEPMASS=315.083771
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=VALDECOXIB [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1onc(c1c2ccc(cc2)S(=O)(=O)N)c3ccccc3
INCHI=InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
INCHIAUX=LNPDTQAFDNKSHK-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078959
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078959
SCANS=1385
46.15922546386719	148.0
46.75204086303711	228.0
46.96458053588867	148.0
47.665531158447266	156.0
49.0732536315918	196.0
51.78141784667969	184.0
52.18136978149414	208.0
53.454246520996094	164.0
53.52994155883789	140.0
54.053993225097656	196.0
56.22346496582031	168.0
56.630123138427734	176.0
56.83400344848633	220.0
57.36640930175781	152.0
59.172794342041016	160.0
61.82605743408203	184.0
62.280731201171875	184.0
63.71510314941406	148.0
63.888389587402344	140.0
64.30268096923828	184.0
65.40702819824219	196.0
65.4730453491211	160.0
66.18356323242188	172.0
67.03961944580078	140.0
67.88970184326172	164.0
68.22136688232422	192.0
73.2149887084961	156.0
74.25065612792969	160.0
74.4497299194336	176.0
74.67830657958984	156.0
77.67294311523438	160.0
78.94221496582031	164.0
79.69791412353516	156.0
79.79922485351562	248.0
80.92350769042969	148.0
81.48643493652344	164.0
82.08580780029297	160.0
84.37543487548828	140.0
87.17533874511719	148.0
87.42266845703125	144.0
87.61817932128906	160.0
93.6947021484375	188.0
97.4321060180664	140.0
97.87069702148438	152.0
98.13866424560547	180.0
100.77652740478516	152.0
101.53519439697266	148.0
102.30073547363281	216.0
103.05471801757812	1960.0
104.05867004394531	652.0
104.9813461303711	192.0
105.03666687011719	192.0
105.0699691772461	304.0
107.04666900634766	284.0
107.93428802490234	160.0
107.97771453857422	176.0
108.39588928222656	196.0
112.78898620605469	140.0
112.8397216796875	152.0
113.6424331665039	144.0
114.04993438720703	184.0
115.05775451660156	268.0
117.50655364990234	140.0
117.76343536376953	156.0
117.89521789550781	160.0
118.0638427734375	184.0
118.24773406982422	168.0
119.68482971191406	228.0
123.68270111083984	172.0
123.94402313232422	148.0
124.55189514160156	144.0
125.28152465820312	204.0
127.0588150024414	148.0
128.49481201171875	112.0
128.91641235351562	176.0
130.04425048828125	148.0
130.06240844726562	140.0
130.91043090820312	188.0
131.0015411376953	168.0
131.0496368408203	7572.0
131.60987854003906	152.0
131.8137664794922	156.0
131.83433532714844	148.0
131.98033142089844	152.0
132.0575408935547	18500.0
133.00759887695312	160.0
133.06015014648438	1624.0
133.96214294433594	104.0
134.0631866455078	312.0
137.36660766601562	168.0
139.67156982421875	192.0
140.18716430664062	208.0
141.0703582763672	380.0
146.6412353515625	160.0
147.0435333251953	992.0
147.6960906982422	176.0
148.04547119140625	344.0
148.07847595214844	340.0
149.05828857421875	280.0
150.01048278808594	176.0
150.74513244628906	152.0
151.10699462890625	152.0
152.06143188476562	156.0
153.06500244140625	456.0
155.2427215576172	172.0
156.0522003173828	172.0
156.25613403320312	156.0
156.49009704589844	156.0
158.06007385253906	140.0
159.05567932128906	436.0
159.64292907714844	148.0
160.0279083251953	140.0
160.38311767578125	192.0
162.97962951660156	148.0
164.0765838623047	144.0
164.40562438964844	156.0
165.0705108642578	3604.0
165.11326599121094	240.0
166.07583618164062	560.0
167.0755157470703	116.0
168.04421997070312	148.0
168.08216857910156	336.0
169.0648193359375	308.0
169.92514038085938	212.0
172.1062469482422	160.0
173.76039123535156	200.0
173.81024169921875	192.0
174.57200622558594	208.0
174.68772888183594	160.0
177.00234985351562	160.0
177.0596923828125	140.0
177.84803771972656	164.0
178.0770721435547	168.0
178.19857788085938	148.0
179.0887908935547	108.0
179.17764282226562	240.0
180.08126831054688	324.0
181.06533813476562	156.0
183.1799774169922	208.0
183.48719787597656	208.0
184.05918884277344	168.0
186.14964294433594	148.0
187.11460876464844	192.0
187.2874298095703	176.0
187.6270751953125	152.0
188.21913146972656	196.0
189.66909790039062	164.0
190.06246948242188	352.0
190.16004943847656	176.0
190.2196502685547	140.0
190.8385772705078	168.0
191.0740509033203	1188.0
192.080810546875	4348.0
192.698974609375	140.0
192.92559814453125	220.0
193.08908081054688	5292.0
193.23533630371094	148.0
193.73089599609375	148.0
194.09326171875	1584.0
195.0104217529297	1908.0
195.0684356689453	148.0
195.09835815429688	300.0
195.9757080078125	192.0
196.01309204101562	356.0
196.0763397216797	1888.0
197.01101684570312	232.0
197.07882690429688	428.0
197.85252380371094	156.0
198.07733154296875	172.0
200.54638671875	176.0
204.08721923828125	156.0
205.0935516357422	168.0
206.09707641601562	528.0
207.06643676757812	196.0
207.1015167236328	400.0
208.07699584960938	2964.0
209.081787109375	692.0
209.11126708984375	140.0
210.09353637695312	148.0
212.03775024414062	4164.0
212.09779357910156	148.0
213.0410614013672	412.0
214.0355987548828	404.0
215.9002227783203	196.0
216.13131713867188	184.0
217.08920288085938	316.0
218.07484436035156	164.0
218.10076904296875	336.0
219.07119750976562	348.0
219.2734832763672	164.0
219.87326049804688	184.0
220.00289916992188	136.0
220.07635498046875	20228.0
220.1998748779297	244.0
220.23971557617188	132.0
221.0424041748047	232.0
221.0801544189453	2680.0
222.08267211914062	468.0
222.61900329589844	140.0
223.1007537841797	188.0
223.8892364501953	140.0
224.06884765625	428.0
225.08157348632812	176.0
225.85308837890625	164.0
226.08609008789062	232.0
226.31394958496094	160.0
228.4538116455078	204.0
231.0300750732422	140.0
233.08193969726562	232.0
234.09226989746094	4012.0
235.09994506835938	5524.0
235.3213653564453	204.0
236.1048583984375	1636.0
237.03729248046875	236.0
237.12188720703125	212.0
238.03729248046875	144.0
240.87998962402344	140.0
241.49818420410156	168.0
241.99020385742188	140.0
243.2923126220703	140.0
244.81585693359375	140.0
245.7634735107422	180.0
246.0674285888672	124.0
250.08651733398438	392.0
251.0580596923828	484.0
251.9011993408203	144.0
252.51123046875	160.0
252.7864532470703	156.0
256.04144287109375	412.0
256.15185546875	148.0
256.9839172363281	152.0
257.0450439453125	180.0
257.45953369140625	164.0
258.0442810058594	164.0
260.07635498046875	176.0
260.6918640136719	220.0
262.4042663574219	176.0
265.0703430175781	152.0
266.07769775390625	140.0
267.0918884277344	116.0
272.06170654296875	116.0
273.06878662109375	1484.0
273.79327392578125	148.0
274.0723876953125	300.0
277.2190246582031	156.0
277.4477233886719	152.0
280.9762878417969	188.0
286.5921936035156	152.0
286.8887634277344	220.0
290.2053527832031	232.0
292.5937805175781	160.0
294.209716796875	200.0
294.3189697265625	160.0
294.5853576660156	176.0
295.5220947265625	264.0
296.0869140625	168.0
296.9711608886719	248.0
298.0489807128906	136.0
298.98443603515625	144.0
299.0567932128906	440.0
300.0591125488281	140.0
301.1702880859375	152.0
309.14935302734375	220.0
309.79010009765625	192.0
312.6446228027344	144.0
312.9367980957031	204.0
312.99969482421875	152.0
313.2336120605469	164.0
313.72418212890625	216.0
314.0080261230469	212.0
314.09478759765625	100.0
314.1279602050781	212.0
314.2373352050781	156.0
314.3994140625	124.0
314.5421142578125	204.0
314.8683776855469	108.0
314.8973388671875	332.0
314.9601745605469	152.0
315.0033264160156	204.0
315.0816955566406	122524.0
315.16326904296875	144.0
315.33624267578125	104.0
315.41644287109375	144.0
315.4305114746094	128.0
315.50335693359375	316.0
315.57562255859375	124.0
315.6622619628906	356.0
315.925537109375	228.0
316.0835876464844	16040.0
316.1922302246094	380.0
316.25823974609375	260.0
316.3426208496094	204.0
316.4442138671875	228.0
316.5826416015625	124.0
316.6507873535156	144.0
316.7853698730469	160.0
316.8153991699219	156.0
316.8841552734375	252.0
317.0793762207031	4584.0
317.1689453125	148.0
317.2176208496094	192.0
317.339111328125	148.0
317.41876220703125	104.0
317.4827880859375	100.0
317.6968994140625	100.0
317.8800048828125	148.0
317.9314880371094	156.0
318.00128173828125	96.0
318.08056640625	1144.0
318.13189697265625	164.0
318.239013671875	108.0
318.2931213378906	128.0
318.39324951171875	120.0
318.7432556152344	152.0
320.0447998046875	108.0
320.10467529296875	108.0
323.366455078125	164.0
325.2230224609375	152.0
345.3338317871094	152.0
520.9104614257812	144.0
1213.175048828125	144.0
1235.7467041015625	144.0
1289.44921875	196.0
1381.4866943359375	152.0
1478.318603515625	224.0
1516.223876953125	140.0
1570.6510009765625	168.0
1573.452392578125	176.0
1638.461181640625	164.0
1678.76171875	264.0
1682.65380859375	192.0
1720.1876220703125	152.0
1722.797119140625	144.0
1752.8900146484375	192.0
1753.65673828125	176.0
1758.3272705078125	176.0
1775.628662109375	184.0
1815.1717529296875	168.0
1830.3309326171875	144.0
1834.2669677734375	216.0
1838.6082763671875	164.0
1841.9637451171875	168.0
1846.10888671875	148.0
1852.3397216796875	232.0
1910.245849609375	160.0
1925.5777587890625	144.0
1939.6383056640625	148.0
1955.228271484375	148.0
1977.1414794921875	236.0
1986.010009765625	260.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078960
PEPMASS=306.092926
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=FENOLDOPAM MESYLATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Oc1ccc(cc1)C2CNCCc3c(Cl)c(O)c(O)cc23
INCHI=InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
INCHIAUX=TVURRHSHRRELCG-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078960
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078960
SCANS=1000
45.99842834472656	200.0
47.53506088256836	212.0
47.82091522216797	196.0
48.54623031616211	152.0
48.78365707397461	224.0
51.97021484375	144.0
52.07501220703125	156.0
52.664100646972656	152.0
52.91282653808594	200.0
52.99538040161133	200.0
53.089603424072266	172.0
54.95027160644531	184.0
55.493072509765625	196.0
55.71717834472656	152.0
57.40407943725586	156.0
63.32960891723633	204.0
63.88995361328125	184.0
64.66545867919922	148.0
64.99879455566406	176.0
66.57108306884766	140.0
67.5359115600586	160.0
69.87348937988281	256.0
70.00831604003906	156.0
70.46869659423828	144.0
71.36875915527344	140.0
71.58919525146484	148.0
71.9737548828125	140.0
72.757568359375	144.0
77.35749053955078	140.0
77.70799255371094	228.0
78.86143493652344	228.0
78.97636413574219	164.0
82.17235565185547	164.0
84.17990112304688	164.0
84.28767395019531	204.0
85.89041900634766	204.0
86.30409240722656	164.0
87.22362518310547	168.0
89.07731628417969	172.0
90.17204284667969	184.0
90.73992156982422	192.0
91.05369567871094	324.0
91.22999572753906	140.0
92.26680755615234	144.0
93.18867492675781	204.0
94.30250549316406	268.0
94.64491271972656	152.0
95.08883666992188	184.0
95.40739440917969	204.0
96.20027160644531	204.0
96.4972152709961	140.0
98.20567321777344	200.0
99.39860534667969	216.0
99.5236587524414	152.0
100.88440704345703	152.0
101.46898651123047	228.0
103.05199432373047	140.0
104.06173706054688	156.0
104.82637786865234	180.0
105.2179946899414	140.0
105.28741455078125	144.0
106.17766571044922	180.0
107.04979705810547	10532.0
107.49220275878906	144.0
107.81641387939453	180.0
108.05101776123047	1172.0
108.8036117553711	140.0
109.0544662475586	132.0
109.40109252929688	164.0
111.4465103149414	148.0
113.06265258789062	136.0
113.50875854492188	144.0
115.02995300292969	168.0
115.06197357177734	204.0
116.45386505126953	212.0
117.06599426269531	184.0
118.83493041992188	148.0
119.048583984375	464.0
121.06485748291016	624.0
121.49005889892578	168.0
123.35306549072266	216.0
125.0157470703125	1312.0
126.0146484375	256.0
127.01124572753906	280.0
127.05427551269531	144.0
128.80340576171875	220.0
130.06410217285156	204.0
130.56446838378906	196.0
131.04904174804688	928.0
132.37872314453125	188.0
132.6559600830078	196.0
133.02757263183594	196.0
133.063720703125	516.0
134.870361328125	204.0
135.04563903808594	312.0
135.77793884277344	148.0
136.05372619628906	356.0
136.07583618164062	2576.0
137.013916015625	320.0
137.0789337158203	324.0
140.944580078125	196.0
141.27084350585938	196.0
142.0454559326172	200.0
143.00062561035156	152.0
143.0286407470703	140.0
143.0506134033203	144.0
145.0644989013672	1108.0
145.30899047851562	216.0
146.0609130859375	116.0
147.0430450439453	576.0
147.0729217529297	164.0
148.05126953125	652.0
148.07388305664062	148.0
148.15380859375	140.0
148.96405029296875	176.0
149.0160675048828	880.0
149.0513153076172	196.0
151.01466369628906	244.0
152.7259979248047	196.0
153.010009765625	1256.0
153.0680694580078	180.0
153.18875122070312	200.0
153.97804260253906	152.0
154.01016235351562	312.0
155.0055389404297	420.0
155.0319366455078	196.0
155.0864715576172	176.0
155.50314331054688	184.0
156.15408325195312	152.0
157.0049591064453	1556.0
157.16049194335938	176.0
158.00747680664062	148.0
158.0587921142578	144.0
159.0034942626953	820.0
159.0455780029297	980.0
159.74346923828125	144.0
160.05299377441406	2616.0
161.0596466064453	224.0
161.4181365966797	172.0
162.05599975585938	172.0
163.19337463378906	160.0
163.35836791992188	224.0
164.01278686523438	156.0
164.06826782226562	316.0
165.0093536376953	484.0
165.75062561035156	188.0
166.04713439941406	216.0
166.74632263183594	172.0
167.00942993164062	196.0
168.08303833007812	112.0
169.0001220703125	148.0
171.02108764648438	5664.0
172.02349853515625	460.0
172.84066772460938	144.0
173.0187530517578	904.0
174.02508544921875	104.0
176.0694580078125	1720.0
176.9705047607422	184.0
177.01077270507812	3016.0
177.0797882080078	2868.0
178.01649475097656	240.0
178.0792236328125	500.0
178.1400604248047	144.0
178.7834930419922	156.0
179.00625610351562	280.0
179.0879669189453	188.0
179.53207397460938	168.0
180.01171875	228.0
181.0614471435547	160.0
181.09017944335938	152.0
181.56454467773438	160.0
181.74696350097656	176.0
182.03953552246094	156.0
182.07017517089844	208.0
182.4990234375	144.0
183.02243041992188	1064.0
183.05332946777344	140.0
183.0796661376953	332.0
184.02784729003906	124.0
185.00796508789062	164.0
185.04058837890625	156.0
186.0179901123047	200.0
189.08616638183594	224.0
189.9788818359375	172.0
190.07891845703125	268.0
194.0366973876953	352.0
194.20204162597656	156.0
194.9849853515625	164.0
195.0204620361328	4032.0
195.0791473388672	132.0
195.2233428955078	140.0
196.02700805664062	584.0
197.0189971923828	1216.0
197.06439208984375	176.0
197.63693237304688	152.0
197.85244750976562	152.0
198.0328369140625	1056.0
198.0680694580078	176.0
198.10728454589844	208.0
198.8194580078125	140.0
199.0363311767578	424.0
199.90138244628906	148.0
200.0325927734375	764.0
204.27549743652344	140.0
204.65115356445312	212.0
206.06399536132812	176.0
206.12010192871094	160.0
207.07974243164062	1080.0
208.08908081054688	724.0
208.17971801757812	164.0
208.31471252441406	200.0
208.38365173339844	188.0
210.0274200439453	200.0
210.06304931640625	248.0
211.98423767089844	128.0
212.0165557861328	204.0
212.04788208007812	7400.0
213.04933166503906	360.0
213.09719848632812	328.0
214.0454559326172	1512.0
217.06198120117188	148.0
219.08084106445312	200.0
219.75404357910156	192.0
220.07870483398438	148.0
220.9298858642578	188.0
221.06005859375	364.0
222.0584259033203	140.0
222.67575073242188	156.0
224.0797882080078	168.0
225.09458923339844	428.0
225.21932983398438	140.0
226.06155395507812	164.0
226.08935546875	284.0
226.7242431640625	160.0
228.06881713867188	168.0
229.10250854492188	148.0
229.63145446777344	160.0
231.05792236328125	380.0
233.0552215576172	160.0
234.0666046142578	164.0
234.27520751953125	160.0
235.0759735107422	1108.0
235.85586547851562	160.0
236.08302307128906	1088.0
237.09486389160156	388.0
238.05868530273438	364.0
238.09068298339844	172.0
239.07276916503906	1080.0
239.23934936523438	204.0
239.94483947753906	184.0
240.07379150390625	192.0
240.27174377441406	220.0
242.09046936035156	296.0
242.45785522460938	140.0
243.05104064941406	260.0
245.0545196533203	316.0
245.8894500732422	268.0
246.6940460205078	152.0
249.38348388671875	160.0
250.64859008789062	160.0
251.0709991455078	200.0
252.0717010498047	196.0
252.10330200195312	180.0
252.9667510986328	164.0
253.08485412597656	1980.0
254.09385681152344	4008.0
255.09796142578125	276.0
256.09442138671875	244.0
256.5313415527344	168.0
257.66705322265625	204.0
260.0212707519531	380.0
260.0569763183594	164.0
260.36090087890625	188.0
261.0342102050781	108.0
262.0270690917969	168.0
262.28167724609375	140.0
262.47509765625	156.0
262.7105407714844	180.0
266.35546875	172.0
268.1417541503906	172.0
270.10992431640625	356.0
271.0517883300781	496.0
271.1197509765625	212.0
273.0496826171875	320.0
273.8557434082031	168.0
274.04248046875	464.0
274.7693176269531	136.0
275.042724609375	256.0
276.03985595703125	428.0
279.05780029296875	156.0
287.3371887207031	156.0
287.4114074707031	176.0
287.9582824707031	140.0
288.8641357421875	180.0
288.9892883300781	164.0
289.0631103515625	9568.0
289.1943054199219	144.0
290.0658264160156	1404.0
291.06072998046875	1804.0
292.06707763671875	340.0
294.3735046386719	164.0
296.0148620605469	220.0
301.4327087402344	252.0
302.13458251953125	152.0
302.87884521484375	180.0
304.07171630859375	572.0
304.2520446777344	152.0
304.347900390625	112.0
304.94110107421875	120.0
305.0772705078125	132.0
305.1577453613281	1812.0
305.2366638183594	124.0
305.2760009765625	176.0
305.4003601074219	140.0
305.50885009765625	204.0
305.6994323730469	104.0
305.734375	104.0
305.7991027832031	296.0
305.879150390625	140.0
305.9102783203125	264.0
305.9485778808594	160.0
305.9826354980469	128.0
306.0093078613281	172.0
306.0908508300781	109032.0
306.3599853515625	144.0
306.4289245605469	212.0
306.4832763671875	124.0
306.5476379394531	96.0
306.6280212402344	204.0
306.66363525390625	312.0
306.7007141113281	112.0
306.8855285644531	128.0
306.9122009277344	120.0
306.9833679199219	140.0
307.09326171875	14652.0
307.31182861328125	184.0
307.3942565917969	124.0
307.4964904785156	140.0
307.5719909667969	112.0
307.6148681640625	260.0
307.83544921875	140.0
308.0877380371094	21104.0
308.1413879394531	140.0
308.2176513671875	128.0
308.2550048828125	100.0
308.43084716796875	192.0
308.58502197265625	112.0
308.8800964355469	112.0
308.977783203125	156.0
309.0909729003906	2444.0
309.2388000488281	104.0
309.3318786621094	96.0
309.4082336425781	140.0
309.44146728515625	144.0
309.69537353515625	160.0
310.0966796875	228.0
310.2911071777344	144.0
310.9377746582031	136.0
311.1600341796875	96.0
311.19384765625	212.0
314.76190185546875	108.0
322.16845703125	176.0
358.927734375	196.0
397.1922912597656	152.0
517.7172241210938	144.0
542.5715942382812	152.0
621.2755126953125	140.0
737.3787231445312	160.0
967.4367065429688	144.0
1234.68994140625	160.0
1387.314208984375	160.0
1403.5740966796875	228.0
1497.6727294921875	152.0
1497.9422607421875	212.0
1516.4866943359375	200.0
1547.937255859375	160.0
1580.3118896484375	176.0
1626.904052734375	152.0
1660.5927734375	200.0
1692.63525390625	144.0
1695.4298095703125	152.0
1700.2684326171875	188.0
1701.1959228515625	160.0
1762.66064453125	204.0
1786.3118896484375	148.0
1797.880126953125	244.0
1834.9908447265625	156.0
1862.7955322265625	176.0
1941.706787109375	152.0
1944.56689453125	208.0
1954.3828125	176.0
1987.53515625	156.0
1990.9793701171875	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078961
PEPMASS=544.188049
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=35.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=EPIRUBICIN HYDROCHLORIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
INCHI=InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1
INCHIAUX=AOJJSUZBOXZQNB-VTZDEGQISA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078961
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078961
SCANS=1101
46.16188430786133	144.0
48.60307693481445	144.0
51.337928771972656	220.0
52.00946044921875	104.0
52.052001953125	152.0
52.95334243774414	196.0
54.31032180786133	156.0
55.934261322021484	148.0
56.20848846435547	144.0
56.27267074584961	160.0
57.20968246459961	256.0
59.76364517211914	152.0
60.32657241821289	148.0
62.50548553466797	208.0
66.57917022705078	148.0
66.60515594482422	188.0
67.05747985839844	160.0
67.2564697265625	152.0
69.81672668457031	192.0
72.30325317382812	184.0
73.04981994628906	172.0
75.139892578125	228.0
76.08309936523438	148.0
79.42444610595703	156.0
83.11497497558594	168.0
87.49517822265625	168.0
87.76532745361328	204.0
88.35365295410156	228.0
88.55581665039062	144.0
89.52677917480469	188.0
89.91136169433594	176.0
92.85460662841797	184.0
93.00617980957031	200.0
93.79289245605469	148.0
95.02862548828125	196.0
95.04878997802734	884.0
95.60184478759766	164.0
98.01636505126953	192.0
98.71910095214844	160.0
99.21409606933594	188.0
102.1275863647461	160.0
103.35212707519531	156.0
104.07127380371094	604.0
105.07302856445312	200.0
105.11996459960938	148.0
105.264892578125	160.0
105.77806091308594	208.0
107.34774017333984	140.0
107.96520233154297	200.0
108.67362976074219	184.0
109.69474792480469	168.0
112.07605743408203	3584.0
112.72758483886719	164.0
112.97284698486328	180.0
113.01727294921875	160.0
113.05984497070312	9708.0
114.06171417236328	560.0
114.96585845947266	140.0
115.03181457519531	208.0
120.43490600585938	252.0
121.06649017333984	456.0
122.8803939819336	156.0
122.96204376220703	184.0
126.24785614013672	176.0
127.09234619140625	180.0
127.52800750732422	156.0
128.067138671875	128.0
129.06773376464844	184.0
129.74697875976562	124.0
130.0868682861328	23408.0
130.31201171875	112.0
131.08999633789062	2096.0
132.09291076660156	316.0
133.0229034423828	144.0
133.09075927734375	172.0
135.04591369628906	948.0
135.7477264404297	176.0
136.04934692382812	152.0
141.56898498535156	216.0
142.30404663085938	144.0
142.4774169921875	152.0
145.02784729003906	380.0
146.0307159423828	148.0
146.1594696044922	160.0
147.8559112548828	204.0
148.09713745117188	7656.0
148.12950134277344	148.0
148.3282012939453	180.0
148.77105712890625	136.0
149.0992889404297	1132.0
150.1005401611328	168.0
150.2786102294922	212.0
156.46255493164062	140.0
157.0269012451172	176.0
158.68359375	148.0
159.0423126220703	184.0
161.05917358398438	140.0
163.03282165527344	156.0
165.24612426757812	192.0
170.62359619140625	148.0
171.0618896484375	184.0
175.9102783203125	220.0
180.4318084716797	148.0
181.779052734375	152.0
182.4075164794922	188.0
182.56883239746094	252.0
184.04820251464844	188.0
184.08331298828125	176.0
185.01681518554688	244.0
188.896728515625	188.0
189.04994201660156	152.0
189.49900817871094	164.0
190.1104736328125	140.0
191.777099609375	160.0
193.1936492919922	208.0
195.92257690429688	160.0
197.13070678710938	172.0
198.14639282226562	160.0
201.04820251464844	184.0
203.03646850585938	128.0
208.6393280029297	224.0
209.4911346435547	168.0
210.907958984375	164.0
217.0475311279297	620.0
218.05343627929688	156.0
219.73916625976562	144.0
221.193115234375	160.0
222.07907104492188	196.0
223.07675170898438	168.0
224.07667541503906	140.0
224.6341552734375	152.0
226.37831115722656	168.0
229.31173706054688	144.0
231.05914306640625	164.0
232.02317810058594	188.0
232.4993896484375	156.0
233.05812072753906	184.0
233.14016723632812	164.0
234.05267333984375	156.0
234.08624267578125	176.0
238.0585479736328	200.0
238.0923309326172	156.0
249.09112548828125	156.0
253.17874145507812	140.0
254.51248168945312	200.0
255.600830078125	228.0
257.12725830078125	192.0
259.0713195800781	348.0
261.04974365234375	128.0
262.0784912109375	196.0
264.67218017578125	152.0
265.55419921875	208.0
266.0991516113281	144.0
267.3176574707031	176.0
272.19482421875	144.0
275.0772705078125	132.0
276.0766906738281	148.0
276.6954345703125	140.0
277.08880615234375	232.0
278.060791015625	260.0
278.88812255859375	172.0
279.0621337890625	236.0
280.06597900390625	228.0
280.8722229003906	172.0
283.5004577636719	168.0
283.9228820800781	252.0
287.0710144042969	596.0
288.0713195800781	160.0
289.0753173828125	144.0
289.9677734375	184.0
290.0575256347656	260.0
293.0793762207031	544.0
294.0805969238281	284.0
295.0600891113281	152.0
295.0936584472656	152.0
295.2310485839844	140.0
296.0660705566406	164.0
297.075439453125	148.0
297.2007141113281	156.0
299.07080078125	132.0
300.03814697265625	160.0
300.0726318359375	144.0
301.0249328613281	172.0
301.05035400390625	176.0
302.0555725097656	236.0
302.8475036621094	152.0
303.0659484863281	644.0
304.0672607421875	216.0
305.08099365234375	548.0
306.05194091796875	4144.0
306.1224670410156	180.0
307.0565490722656	480.0
308.0668640136719	296.0
308.1933288574219	148.0
309.07000732421875	384.0
311.0556945800781	156.0
311.08941650390625	144.0
313.69744873046875	148.0
315.066162109375	888.0
315.23272705078125	200.0
316.0721740722656	120.0
317.04296875	156.0
317.0888977050781	152.0
317.6118469238281	172.0
318.05389404296875	540.0
319.0572814941406	240.0
319.6368713378906	140.0
319.9750061035156	144.0
320.0689697265625	836.0
320.5709228515625	156.0
320.7315979003906	112.0
321.00628662109375	248.0
321.0765380859375	29152.0
321.1920471191406	152.0
321.54339599609375	144.0
321.60162353515625	124.0
321.88824462890625	120.0
322.0796813964844	6228.0
323.08465576171875	1524.0
324.08880615234375	424.0
324.2437744140625	112.0
325.07098388671875	260.0
327.09539794921875	152.0
331.0616760253906	440.0
332.0636901855469	264.0
333.077880859375	5432.0
334.0804138183594	436.0
335.0187072753906	240.0
335.08306884765625	144.0
335.91546630859375	176.0
335.98114013671875	140.0
336.0544738769531	348.0
337.0744323730469	900.0
338.0490417480469	200.0
338.07635498046875	648.0
339.0860290527344	152.0
343.0562744140625	524.0
344.05908203125	264.0
344.8935241699219	176.0
345.0364685058594	192.0
345.2484436035156	140.0
346.0473327636719	10856.0
346.4433898925781	124.0
346.9776306152344	148.0
347.0509033203125	1992.0
347.25201416015625	144.0
347.87908935546875	168.0
348.05645751953125	496.0
349.0671081542969	312.0
349.8642272949219	152.0
350.07196044921875	288.0
351.08770751953125	1128.0
352.0591125488281	456.0
352.088134765625	336.0
353.06939697265625	300.0
353.09930419921875	296.0
360.0701904296875	116.0
360.9703674316406	152.0
361.07177734375	17592.0
361.36431884765625	260.0
362.0746765136719	4900.0
362.5653076171875	100.0
363.07806396484375	908.0
363.1260986328125	200.0
364.06005859375	636.0
364.28619384765625	160.0
364.62994384765625	116.0
364.7740478515625	156.0
365.08087158203125	176.0
366.0751647949219	256.0
366.71807861328125	204.0
366.7485656738281	152.0
369.0905456542969	168.0
370.0964050292969	128.0
373.10919189453125	160.0
375.9764404296875	156.0
377.06683349609375	1556.0
378.0727233886719	536.0
378.5936584472656	180.0
378.63238525390625	152.0
379.0111083984375	140.0
379.0816650390625	19088.0
379.85113525390625	144.0
380.08428955078125	4640.0
380.4773254394531	148.0
381.08868408203125	1096.0
382.09356689453125	408.0
382.1414794921875	152.0
382.5294494628906	96.0
383.09918212890625	216.0
383.3770751953125	124.0
384.09320068359375	168.0
385.06414794921875	184.0
387.0909423828125	160.0
394.4851989746094	136.0
395.0778503417969	728.0
395.14794921875	212.0
395.284912109375	120.0
395.43682861328125	140.0
396.02752685546875	104.0
396.07623291015625	424.0
397.0069885253906	108.0
397.0393371582031	164.0
397.09210205078125	35884.0
397.2496032714844	148.0
398.09503173828125	6800.0
398.254150390625	124.0
398.33526611328125	136.0
399.0986633300781	1224.0
399.8302307128906	140.0
400.112548828125	168.0
400.148681640625	144.0
400.6085510253906	108.0
400.6667175292969	264.0
401.0848388671875	224.0
403.47198486328125	164.0
408.80657958984375	168.0
411.0914611816406	140.0
414.1161804199219	672.0
415.099853515625	280.0
415.1329040527344	312.0
416.1181335449219	168.0
421.23126220703125	384.0
423.1114501953125	480.0
424.1106872558594	132.0
429.1025390625	144.0
431.1232604980469	168.0
435.9261779785156	200.0
437.2319641113281	144.0
444.755126953125	140.0
445.120361328125	184.0
446.1230773925781	308.0
448.1404113769531	172.0
464.1314392089844	152.0
465.1375732421875	140.0
469.13970947265625	172.0
473.1236267089844	368.0
489.1573181152344	168.0
490.1452331542969	316.0
491.13970947265625	116.0
492.1242980957031	140.0
498.4894104003906	184.0
499.6587829589844	192.0
500.15093994140625	188.0
502.15771484375	152.0
508.1642150878906	624.0
509.1527404785156	268.0
510.1739501953125	132.0
514.2854614257812	164.0
523.2371215820312	204.0
524.2255249023438	148.0
526.1676635742188	4116.0
526.955322265625	152.0
527.1702880859375	1320.0
528.1715698242188	300.0
529.1597900390625	140.0
535.6211547851562	152.0
541.2763671875	196.0
542.1625366210938	152.0
542.2879028320312	148.0
542.9607543945312	192.0
543.1956176757812	140.0
543.2297973632812	288.0
543.8084106445312	108.0
544.1798095703125	10816.0
544.2601318359375	216.0
544.541748046875	124.0
545.1817016601562	3848.0
545.6253662109375	112.0
546.0193481445312	112.0
546.1870727539062	1092.0
547.16064453125	272.0
547.2009887695312	168.0
548.1072998046875	132.0
549.2324829101562	96.0
614.3573608398438	160.0
919.6439819335938	144.0
1373.19775390625	164.0
1394.907470703125	192.0
1408.55126953125	192.0
1463.440185546875	140.0
1589.4864501953125	212.0
1598.9271240234375	216.0
1607.501953125	196.0
1628.9267578125	164.0
1637.0419921875	156.0
1656.0936279296875	240.0
1675.4183349609375	192.0
1699.052978515625	204.0
1741.7318115234375	184.0
1743.052734375	168.0
1753.545654296875	156.0
1771.15966796875	180.0
1779.6044921875	152.0
1783.22509765625	196.0
1813.5423583984375	152.0
1839.3319091796875	176.0
1859.763427734375	188.0
1869.251220703125	140.0
1908.26123046875	168.0
1915.989501953125	192.0
1924.9208984375	148.0
1926.1348876953125	212.0
1929.324462890625	212.0
1929.8402099609375	184.0
1943.25830078125	152.0
1950.3450927734375	176.0
1977.343017578125	156.0
1983.268310546875	172.0
1986.009033203125	204.0
1988.8563232421875	168.0
1994.798828125	196.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078962
PEPMASS=358.128265
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ROSIGLITAZONE HCl [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c3ccccn3
INCHI=InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
INCHIAUX=YASAKCUCGLMORW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078962
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078962
SCANS=1077
45.45600128173828	140.0
45.58625793457031	148.0
45.82307434082031	152.0
46.202449798583984	180.0
47.653106689453125	140.0
49.6577262878418	160.0
49.8319091796875	144.0
50.952178955078125	168.0
51.22816848754883	140.0
51.72367858886719	184.0
52.48078155517578	172.0
52.710113525390625	164.0
53.55900192260742	236.0
53.8945426940918	152.0
54.11540222167969	152.0
54.61876678466797	164.0
54.916297912597656	160.0
57.36332321166992	172.0
57.43117904663086	192.0
57.467384338378906	148.0
57.50510787963867	220.0
57.996673583984375	144.0
58.496421813964844	164.0
58.683807373046875	208.0
58.790584564208984	140.0
59.028892517089844	144.0
59.83135223388672	160.0
60.51994323730469	192.0
60.86882400512695	140.0
61.136199951171875	184.0
61.31061935424805	156.0
62.38593673706055	140.0
63.23297882080078	140.0
64.91211700439453	184.0
65.70185089111328	196.0
66.11872863769531	228.0
66.79206848144531	192.0
67.08843231201172	192.0
67.61438751220703	160.0
68.02743530273438	192.0
68.98784637451172	200.0
69.486328125	188.0
70.34505462646484	144.0
71.5891342163086	216.0
72.77108764648438	188.0
72.91207885742188	200.0
73.66177368164062	212.0
74.93299102783203	148.0
75.11054992675781	152.0
75.2192611694336	176.0
75.98535919189453	168.0
76.08828735351562	236.0
77.97132873535156	144.0
78.61588287353516	232.0
78.78185272216797	180.0
79.05548858642578	168.0
80.00194549560547	156.0
80.40834045410156	164.0
81.17022705078125	212.0
81.21347045898438	140.0
82.31307220458984	148.0
82.56245422363281	144.0
82.74520874023438	172.0
82.85387420654297	180.0
83.00067901611328	212.0
83.0333251953125	164.0
83.36554718017578	200.0
83.57466125488281	140.0
83.95354461669922	160.0
84.03927612304688	152.0
84.79084777832031	160.0
85.00724792480469	232.0
86.46125793457031	160.0
86.640869140625	204.0
86.85218811035156	188.0
87.43373107910156	200.0
87.69633483886719	160.0
89.02265930175781	200.0
89.60586547851562	156.0
90.3913345336914	140.0
91.23345184326172	208.0
91.59500885009766	208.0
91.92484283447266	164.0
92.04713439941406	120.0
93.05829620361328	572.0
93.16938018798828	164.0
93.59635925292969	148.0
94.06600952148438	896.0
94.09807586669922	220.0
94.39521789550781	144.0
95.06483459472656	320.0
97.7308349609375	172.0
98.2647705078125	188.0
98.42070007324219	148.0
98.78236389160156	144.0
99.46798706054688	164.0
99.48387145996094	216.0
100.0822982788086	152.0
101.28253173828125	168.0
101.86424255371094	152.0
102.18791198730469	140.0
102.53022766113281	160.0
103.05690002441406	160.0
103.31095123291016	188.0
103.57276916503906	208.0
103.96406555175781	244.0
104.05134582519531	152.0
104.5391616821289	152.0
105.06688690185547	256.0
105.56730651855469	208.0
105.96439361572266	200.0
106.03201293945312	168.0
106.06749725341797	1496.0
106.70323944091797	276.0
107.0625	1400.0
107.40958404541016	172.0
107.9837875366211	152.0
108.06944274902344	2012.0
108.47036743164062	144.0
108.4952392578125	140.0
109.07731628417969	540.0
109.42806243896484	160.0
109.87406921386719	172.0
110.51757049560547	172.0
111.06854248046875	148.0
111.66856384277344	160.0
111.70710754394531	164.0
111.86703491210938	140.0
115.05343627929688	208.0
115.13447570800781	168.0
116.62135314941406	176.0
117.05765533447266	164.0
117.7049789428711	160.0
118.06501007080078	272.0
118.32551574707031	184.0
118.91117095947266	204.0
118.95419311523438	192.0
119.02801513671875	144.0
119.06060028076172	6116.0
119.89598083496094	172.0
120.06853485107422	2328.0
120.84585571289062	168.0
120.86335754394531	184.0
120.94214630126953	252.0
121.07614135742188	3280.0
122.08106231689453	352.0
122.16217803955078	160.0
123.03507995605469	156.0
124.13671875	156.0
124.7161636352539	144.0
124.7828598022461	208.0
124.95855712890625	144.0
125.90039825439453	180.0
126.03323364257812	228.0
126.61932373046875	148.0
126.95548248291016	196.0
127.2831039428711	160.0
127.37069702148438	156.0
128.31134033203125	188.0
128.5030517578125	168.0
128.6033477783203	116.0
128.70391845703125	148.0
130.42112731933594	168.0
130.57801818847656	176.0
130.96266174316406	180.0
131.1927947998047	112.0
131.32733154296875	152.0
131.80674743652344	156.0
132.92877197265625	276.0
132.95631408691406	188.0
133.0647430419922	1728.0
134.01177978515625	200.0
134.057861328125	240.0
134.3607635498047	172.0
134.6421356201172	160.0
134.67800903320312	212.0
134.71929931640625	148.0
134.94058227539062	160.0
135.0112762451172	200.0
135.0320281982422	144.0
135.0679473876953	208.0
135.0922088623047	70084.0
135.19073486328125	168.0
135.25318908691406	128.0
136.067138671875	124.0
136.0958709716797	6344.0
136.57968139648438	100.0
136.85838317871094	172.0
136.88951110839844	120.0
136.92669677734375	132.0
137.0235137939453	120.0
137.09698486328125	432.0
137.24667358398438	124.0
137.27676391601562	152.0
138.36663818359375	220.0
140.42510986328125	172.0
142.95767211914062	148.0
145.06309509277344	172.0
146.0247039794922	176.0
146.0710906982422	140.0
148.08102416992188	144.0
151.0225372314453	232.0
151.0574951171875	316.0
151.99131774902344	148.0
154.06190490722656	168.0
157.04061889648438	160.0
159.4315643310547	184.0
159.5170135498047	192.0
159.90185546875	148.0
161.00103759765625	216.0
161.5318145751953	148.0
161.61529541015625	140.0
162.92135620117188	140.0
163.10394287109375	140.0
164.41561889648438	168.0
165.59165954589844	152.0
167.09332275390625	164.0
167.20138549804688	180.0
168.11109924316406	172.0
173.06300354003906	216.0
174.6165008544922	308.0
174.7138214111328	180.0
174.92698669433594	172.0
176.39892578125	188.0
177.00477600097656	164.0
178.4801025390625	144.0
179.05703735351562	324.0
179.7906951904297	176.0
180.3114776611328	180.0
181.9105224609375	164.0
182.079345703125	160.0
182.3510284423828	224.0
182.66830444335938	148.0
183.14785766601562	128.0
185.32752990722656	148.0
185.44134521484375	156.0
186.20643615722656	164.0
186.69290161132812	148.0
188.47018432617188	208.0
188.63963317871094	212.0
189.49346923828125	184.0
193.1825408935547	176.0
194.17137145996094	228.0
194.37942504882812	184.0
195.27674865722656	192.0
197.06704711914062	240.0
198.6733856201172	152.0
199.40345764160156	140.0
199.42593383789062	140.0
200.2165069580078	140.0
201.4434356689453	172.0
202.0823516845703	160.0
204.33221435546875	168.0
207.96710205078125	156.0
210.05897521972656	144.0
210.65650939941406	144.0
211.19993591308594	208.0
211.75274658203125	156.0
211.92945861816406	224.0
215.49949645996094	172.0
215.59007263183594	164.0
216.2627410888672	176.0
218.104736328125	140.0
218.23995971679688	184.0
218.80191040039062	208.0
220.3472900390625	140.0
221.1808624267578	140.0
221.6787872314453	156.0
223.2491455078125	216.0
223.3175506591797	144.0
224.61619567871094	148.0
225.0131072998047	160.0
225.21615600585938	188.0
227.74412536621094	192.0
230.81808471679688	140.0
231.02676391601562	140.0
231.14779663085938	160.0
231.8745880126953	172.0
232.5418243408203	152.0
232.8545379638672	164.0
233.67831420898438	196.0
233.78176879882812	192.0
234.5401153564453	144.0
234.6925506591797	160.0
235.24169921875	168.0
235.9901885986328	144.0
236.63575744628906	164.0
237.07070922851562	152.0
237.90496826171875	180.0
240.52767944335938	228.0
240.6202850341797	180.0
241.7206268310547	164.0
241.97752380371094	184.0
242.1363525390625	488.0
242.2345733642578	208.0
243.14739990234375	128.0
243.6056671142578	140.0
243.78587341308594	184.0
246.19081115722656	212.0
247.1754913330078	148.0
249.73228454589844	160.0
250.04690551757812	180.0
250.77442932128906	284.0
250.85638427734375	152.0
253.27369689941406	172.0
253.6000518798828	160.0
255.121826171875	252.0
256.4606018066406	152.0
256.7029113769531	152.0
256.74755859375	144.0
260.71405029296875	208.0
261.8497009277344	196.0
265.537353515625	160.0
268.90142822265625	156.0
269.42388916015625	180.0
270.1626892089844	240.0
270.9057922363281	176.0
271.656494140625	180.0
274.2245178222656	168.0
274.42559814453125	144.0
274.4618835449219	172.0
275.7625427246094	144.0
279.0874938964844	140.0
279.1439514160156	224.0
284.3018798828125	208.0
285.5045471191406	148.0
286.16070556640625	160.0
286.2112121582031	152.0
287.1212463378906	296.0
288.1438293457031	180.0
288.178466796875	236.0
289.0962219238281	192.0
289.3545837402344	192.0
290.05242919921875	164.0
291.0906066894531	152.0
291.66815185546875	184.0
292.1374206542969	184.0
292.4504699707031	172.0
293.50653076171875	212.0
294.3561706542969	232.0
295.3472595214844	156.0
295.891357421875	204.0
296.2955017089844	192.0
297.7876281738281	148.0
298.021240234375	180.0
298.1174621582031	184.0
300.1070251464844	140.0
301.1308288574219	660.0
302.1373596191406	156.0
303.3602600097656	180.0
303.56134033203125	160.0
304.0713195800781	176.0
304.76580810546875	148.0
304.8943786621094	228.0
305.60723876953125	180.0
306.5857238769531	148.0
310.1330871582031	216.0
310.3223876953125	208.0
310.6445617675781	144.0
310.7187194824219	156.0
312.8765563964844	236.0
314.6286926269531	188.0
315.1089782714844	156.0
315.4482421875	176.0
318.8611755371094	184.0
322.0788879394531	156.0
322.96173095703125	144.0
323.6488342285156	156.0
324.9786071777344	144.0
327.2893371582031	164.0
327.68951416015625	156.0
328.2013244628906	172.0
329.56207275390625	144.0
331.28778076171875	156.0
331.38922119140625	184.0
331.4942932128906	156.0
331.7806396484375	176.0
332.7964782714844	148.0
333.5048828125	188.0
336.0029296875	220.0
336.18536376953125	156.0
336.60516357421875	144.0
339.6024169921875	156.0
340.7366943359375	144.0
340.8028259277344	160.0
341.86920166015625	204.0
342.87457275390625	164.0
344.1398010253906	152.0
346.9031677246094	188.0
347.4856262207031	152.0
347.8827209472656	184.0
348.29119873046875	196.0
349.1199951171875	152.0
349.5068664550781	144.0
352.1387023925781	236.0
352.38897705078125	144.0
353.0318908691406	188.0
353.14068603515625	144.0
353.1875	176.0
353.7278137207031	148.0
353.88128662109375	148.0
354.3606872558594	228.0
354.4705505371094	164.0
355.1554260253906	172.0
355.27349853515625	164.0
355.3717041015625	104.0
355.46868896484375	160.0
355.8477783203125	112.0
355.95611572265625	160.0
356.0411682128906	176.0
356.1073303222656	1380.0
356.2043762207031	124.0
356.2451171875	228.0
356.284912109375	164.0
356.3330993652344	100.0
356.5069885253906	144.0
356.5469970703125	124.0
356.60498046875	144.0
356.6414794921875	260.0
356.7651672363281	164.0
356.8104248046875	184.0
356.9471130371094	96.0
356.98809814453125	344.0
357.03680419921875	120.0
357.1062927246094	440.0
357.1614990234375	188.0
357.19305419921875	224.0
357.2953186035156	436.0
357.3426513671875	156.0
357.405029296875	160.0
357.47412109375	400.0
357.5315246582031	140.0
357.59429931640625	188.0
357.7601623535156	168.0
357.8182678222656	200.0
357.937255859375	188.0
357.9693908691406	308.0
358.00537109375	396.0
358.1245422363281	200180.0
358.2657165527344	312.0
358.29803466796875	192.0
358.3591613769531	160.0
358.4004211425781	360.0
358.4583435058594	336.0
358.50787353515625	300.0
358.6702880859375	108.0
358.700439453125	272.0
358.7441101074219	5136.0
358.82489013671875	228.0
359.0117492675781	200.0
359.1264343261719	73896.0
359.2259826660156	156.0
359.2659606933594	132.0
359.3473815917969	140.0
359.41650390625	348.0
359.48931884765625	140.0
359.6397399902344	160.0
359.6782531738281	152.0
359.7464904785156	160.0
359.78594970703125	120.0
359.8184509277344	152.0
359.9383850097656	96.0
360.0561218261719	200.0
360.1211853027344	17504.0
360.2537841796875	140.0
360.2947082519531	140.0
360.4154968261719	156.0
360.55145263671875	216.0
360.7392272949219	156.0
360.87994384765625	128.0
360.9447937011719	124.0
361.0007629394531	132.0
361.0686340332031	352.0
361.1245422363281	2152.0
361.24066162109375	276.0
361.26947021484375	324.0
361.30145263671875	164.0
361.3710021972656	252.0
361.4292297363281	168.0
361.471923828125	404.0
361.5011291503906	392.0
361.5479431152344	344.0
361.6724853515625	124.0
361.7701721191406	224.0
361.8746032714844	252.0
361.9815979003906	184.0
362.08551025390625	136.0
362.12335205078125	172.0
362.29876708984375	184.0
362.3622131347656	176.0
362.4628601074219	116.0
362.66845703125	156.0
364.4195251464844	148.0
365.9599304199219	140.0
370.59783935546875	112.0
371.9841613769531	140.0
376.3836669921875	108.0
443.27874755859375	140.0
447.67694091796875	144.0
579.1543579101562	124.0
648.5703735351562	164.0
764.7805786132812	156.0
995.3053588867188	152.0
1109.0101318359375	140.0
1131.0908203125	188.0
1214.178955078125	144.0
1235.5562744140625	176.0
1265.000732421875	212.0
1278.4293212890625	200.0
1279.2763671875	236.0
1291.2279052734375	240.0
1332.8671875	200.0
1348.988525390625	180.0
1350.867919921875	172.0
1362.15673828125	184.0
1421.097900390625	212.0
1422.1409912109375	180.0
1433.150390625	160.0
1442.2515869140625	140.0
1490.8472900390625	152.0
1505.3450927734375	172.0
1549.3536376953125	196.0
1552.69287109375	180.0
1557.9595947265625	172.0
1573.513671875	160.0
1623.348388671875	160.0
1635.978759765625	160.0
1641.763916015625	156.0
1643.3529052734375	164.0
1654.044677734375	168.0
1669.38671875	144.0
1682.8232421875	160.0
1692.782470703125	152.0
1695.2130126953125	188.0
1698.855712890625	176.0
1705.9508056640625	160.0
1731.207763671875	156.0
1732.2916259765625	148.0
1733.2113037109375	144.0
1740.7928466796875	140.0
1752.229736328125	148.0
1752.6629638671875	196.0
1755.772216796875	200.0
1758.742431640625	188.0
1767.1744384765625	176.0
1787.0592041015625	164.0
1799.1279296875	192.0
1799.929931640625	148.0
1818.1895751953125	152.0
1821.5433349609375	148.0
1830.4564208984375	144.0
1830.75439453125	224.0
1839.3826904296875	156.0
1842.5936279296875	180.0
1848.544677734375	220.0
1854.0338134765625	236.0
1855.69677734375	160.0
1857.3089599609375	204.0
1861.2137451171875	208.0
1862.0382080078125	148.0
1872.255126953125	144.0
1876.1669921875	196.0
1884.25341796875	180.0
1891.595458984375	152.0
1892.175537109375	188.0
1898.292724609375	188.0
1899.6109619140625	160.0
1903.8204345703125	176.0
1906.9654541015625	152.0
1908.591064453125	160.0
1919.7108154296875	200.0
1920.5384521484375	180.0
1932.9273681640625	224.0
1940.2584228515625	180.0
1946.2156982421875	220.0
1951.9447021484375	248.0
1953.5277099609375	232.0
1953.62451171875	152.0
1953.844482421875	156.0
1959.382080078125	172.0
1959.9283447265625	172.0
1966.9041748046875	216.0
1980.522216796875	152.0
1988.87353515625	168.0
1990.9244384765625	172.0
2000.794189453125	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078963
PEPMASS=422.170258
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=MOSAPRIDE CITRATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCOc1cc(N)c(Cl)cc1C(=O)NCC2CN(Cc3ccc(F)cc3)CCO2
INCHI=InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)
INCHIAUX=YPELFRMCRYSPKZ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078963
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078963
SCANS=1111
44.975528717041016	264.0
45.003562927246094	148.0
45.273677825927734	188.0
45.58625030517578	180.0
45.800167083740234	152.0
45.97138977050781	140.0
46.271461486816406	212.0
46.35408401489258	324.0
46.78327941894531	192.0
46.81868362426758	160.0
46.834434509277344	276.0
46.938602447509766	156.0
46.97972106933594	136.0
46.99589157104492	140.0
47.217552185058594	196.0
47.89521789550781	144.0
48.01926803588867	140.0
48.15728759765625	164.0
48.307952880859375	188.0
48.40068435668945	140.0
48.45746994018555	144.0
48.542022705078125	172.0
48.58335494995117	180.0
48.662540435791016	140.0
48.67940139770508	172.0
48.726627349853516	172.0
48.771095275878906	148.0
48.844791412353516	180.0
48.854530334472656	212.0
48.869834899902344	148.0
48.897666931152344	208.0
49.02857971191406	168.0
49.04251480102539	184.0
49.223880767822266	164.0
49.384063720703125	196.0
49.45175552368164	140.0
49.65070343017578	180.0
49.85285949707031	156.0
49.99946975708008	144.0
50.04838562011719	180.0
50.07232666015625	188.0
50.25135040283203	184.0
50.30866622924805	164.0
50.466033935546875	152.0
50.59761428833008	152.0
50.665592193603516	160.0
50.92517852783203	172.0
51.15837860107422	220.0
51.28800582885742	208.0
51.456336975097656	184.0
51.48579025268555	192.0
51.73527145385742	152.0
51.80891799926758	180.0
51.998863220214844	148.0
52.02183151245117	192.0
52.06203079223633	176.0
52.13386154174805	172.0
52.21437072753906	168.0
52.25215148925781	136.0
52.3654899597168	144.0
52.429656982421875	156.0
52.5240364074707	160.0
52.63516616821289	236.0
52.83896255493164	384.0
52.901424407958984	124.0
53.02865982055664	168.0
53.112754821777344	168.0
53.235103607177734	212.0
53.31892776489258	168.0
53.34799575805664	144.0
53.4832763671875	144.0
53.66829299926758	156.0
53.704750061035156	164.0
53.79376220703125	176.0
53.81565856933594	156.0
54.163719177246094	180.0
54.213531494140625	204.0
54.25897216796875	160.0
54.684967041015625	176.0
54.805721282958984	172.0
54.92063522338867	156.0
55.024009704589844	144.0
55.06387710571289	152.0
55.170265197753906	184.0
55.19983673095703	172.0
55.729007720947266	152.0
55.77507781982422	168.0
55.7958869934082	172.0
55.953590393066406	188.0
56.084678649902344	148.0
56.10704040527344	148.0
56.320430755615234	160.0
56.514774322509766	144.0
56.594688415527344	184.0
56.728939056396484	144.0
56.886451721191406	176.0
57.212669372558594	160.0
57.235252380371094	164.0
57.440216064453125	148.0
57.50358963012695	148.0
57.58964920043945	200.0
57.86941146850586	196.0
57.886070251464844	164.0
58.1756591796875	168.0
58.44770812988281	148.0
58.58976364135742	232.0
58.72871017456055	156.0
58.75547790527344	180.0
58.8348388671875	192.0
59.02735137939453	172.0
59.42912292480469	180.0
59.44401168823242	164.0
59.52075958251953	196.0
59.53611755371094	252.0
59.71746826171875	228.0
59.78516387939453	140.0
59.801204681396484	196.0
59.83209228515625	176.0
59.8528938293457	180.0
59.94223403930664	168.0
60.063087463378906	320.0
60.38994216918945	144.0
60.4857177734375	196.0
60.684478759765625	160.0
60.80206298828125	148.0
60.884342193603516	172.0
60.98843765258789	204.0
61.46343231201172	208.0
61.65707015991211	180.0
61.7774658203125	244.0
61.872928619384766	160.0
61.952796936035156	148.0
61.97003173828125	164.0
62.075050354003906	148.0
62.1048469543457	176.0
62.33406066894531	156.0
62.44725036621094	268.0
62.486576080322266	148.0
62.7054557800293	184.0
62.78428649902344	180.0
62.890289306640625	148.0
63.4959602355957	188.0
63.84535217285156	164.0
63.936031341552734	164.0
64.0474853515625	164.0
64.28343963623047	168.0
64.29940032958984	160.0
64.45270538330078	168.0
64.7790756225586	176.0
64.8672103881836	164.0
64.92333221435547	184.0
65.15607452392578	156.0
65.23320770263672	168.0
65.2589340209961	148.0
65.49791717529297	184.0
65.59539794921875	192.0
65.871337890625	208.0
65.96671295166016	168.0
66.05095672607422	168.0
66.36494445800781	200.0
66.42169952392578	156.0
66.52555847167969	176.0
66.54179382324219	180.0
66.70262145996094	164.0
66.99775695800781	132.0
67.41812896728516	160.0
67.68640899658203	164.0
67.94529724121094	180.0
68.08489227294922	160.0
68.4697265625	144.0
68.63780975341797	152.0
68.66419982910156	220.0
68.9564208984375	184.0
69.25093078613281	164.0
69.35365295410156	156.0
69.42660522460938	168.0
69.70216369628906	184.0
69.76366424560547	148.0
70.0632095336914	140.0
70.26451873779297	176.0
70.29708099365234	152.0
70.37008666992188	204.0
70.4535903930664	152.0
70.52377319335938	172.0
70.538818359375	148.0
70.60903930664062	148.0
70.74624633789062	180.0
71.08984375	156.0
71.16706085205078	168.0
71.49652862548828	160.0
71.59754180908203	128.0
71.6666030883789	192.0
71.70536041259766	192.0
71.81813049316406	140.0
71.8573989868164	172.0
71.8740005493164	148.0
72.19156646728516	204.0
72.32861328125	148.0
72.41157531738281	156.0
72.99706268310547	224.0
73.08721923828125	152.0
73.35118865966797	180.0
73.6925048828125	144.0
74.11512756347656	148.0
74.1613998413086	200.0
74.31058502197266	192.0
74.32512664794922	152.0
74.40119934082031	156.0
74.54410552978516	172.0
74.58191680908203	236.0
74.65756225585938	140.0
74.73152923583984	224.0
74.96743774414062	140.0
75.58563995361328	148.0
75.60986328125	192.0
75.74664306640625	156.0
76.09175109863281	152.0
76.19769287109375	160.0
76.46895599365234	144.0
76.78256225585938	204.0
76.8610610961914	164.0
76.99547576904297	144.0
77.18926239013672	148.0
77.50480651855469	124.0
77.5641098022461	140.0
77.95304870605469	224.0
78.02228546142578	156.0
78.08383178710938	204.0
78.12882995605469	172.0
78.30558776855469	296.0
78.34527587890625	168.0
78.51531219482422	168.0
78.52884674072266	164.0
78.57881164550781	148.0
78.603515625	156.0
78.93206787109375	152.0
79.13555145263672	148.0
79.20345306396484	116.0
79.30519104003906	168.0
79.48173522949219	204.0
79.54329681396484	228.0
79.62142181396484	304.0
79.78666687011719	144.0
80.12659454345703	164.0
80.34056854248047	160.0
80.37085723876953	172.0
80.4047622680664	220.0
80.55458068847656	220.0
80.60476684570312	200.0
80.620849609375	188.0
80.75532531738281	204.0
80.82828521728516	156.0
80.8551254272461	180.0
81.17579650878906	168.0
81.22959899902344	156.0
81.5905532836914	168.0
81.80643463134766	148.0
81.82443237304688	148.0
81.8964614868164	160.0
81.92528533935547	160.0
82.79408264160156	144.0
82.88465881347656	216.0
83.056884765625	160.0
83.55099487304688	184.0
83.81317138671875	184.0
84.12503814697266	224.0
84.25997161865234	176.0
84.6937255859375	372.0
84.98704528808594	184.0
85.00196838378906	152.0
85.11369323730469	156.0
85.26223754882812	172.0
85.29740905761719	148.0
85.33625030517578	252.0
85.46109008789062	192.0
85.66728210449219	172.0
85.8294677734375	156.0
85.92353820800781	236.0
86.00103759765625	212.0
86.38908386230469	216.0
86.46864318847656	144.0
86.56305694580078	200.0
86.65557861328125	160.0
86.8503189086914	172.0
86.95236206054688	176.0
87.05818176269531	156.0
87.18079376220703	164.0
87.2580795288086	124.0
87.6117935180664	192.0
87.66463470458984	148.0
87.8246841430664	156.0
87.99478149414062	152.0
88.064453125	208.0
88.14391326904297	152.0
88.22270965576172	152.0
88.43215942382812	164.0
88.53983306884766	148.0
88.7281723022461	184.0
88.78499603271484	196.0
88.98332214355469	144.0
89.04717254638672	176.0
89.1407241821289	160.0
89.28208923339844	160.0
89.374267578125	164.0
89.61099243164062	340.0
89.67745971679688	168.0
89.84716796875	148.0
89.90377044677734	200.0
89.91986846923828	204.0
89.96682739257812	188.0
90.1662826538086	212.0
90.28349304199219	156.0
90.42160034179688	152.0
90.67537689208984	140.0
90.79671478271484	144.0
90.87167358398438	192.0
90.93671417236328	172.0
91.02633666992188	172.0
91.04053497314453	176.0
91.14600372314453	140.0
91.25434875488281	144.0
91.3437271118164	168.0
91.3989028930664	204.0
91.63880920410156	144.0
91.6887435913086	196.0
91.77413177490234	140.0
92.14630889892578	168.0
92.46182250976562	212.0
92.48287200927734	180.0
92.51924133300781	176.0
92.56729125976562	196.0
92.79512023925781	184.0
92.86032104492188	160.0
93.03685760498047	148.0
93.06181335449219	168.0
93.10213470458984	164.0
93.2231674194336	144.0
93.2744140625	156.0
93.52510833740234	140.0
93.63292694091797	184.0
93.75045013427734	212.0
93.79181671142578	232.0
94.20579528808594	164.0
94.341064453125	152.0
94.64783477783203	168.0
94.69904327392578	140.0
94.91313934326172	208.0
94.96263122558594	140.0
95.01671600341797	136.0
95.05187225341797	172.0
95.14115142822266	168.0
95.26983642578125	212.0
95.31401062011719	164.0
95.40341186523438	188.0
95.5123062133789	148.0
95.60958862304688	144.0
96.00115966796875	184.0
96.12600708007812	192.0
96.2927017211914	188.0
96.3954849243164	168.0
96.75341033935547	148.0
97.13750457763672	156.0
97.24210357666016	156.0
97.498779296875	164.0
97.81318664550781	140.0
98.0604476928711	1156.0
98.0912094116211	140.0
98.36215209960938	284.0
98.4542465209961	152.0
98.50559997558594	168.0
98.64788055419922	172.0
98.67951202392578	192.0
98.74872589111328	224.0
98.79619598388672	212.0
99.0633544921875	148.0
99.35089111328125	180.0
99.46995544433594	168.0
99.69041442871094	164.0
99.77674102783203	260.0
100.71046447753906	156.0
100.90248107910156	132.0
100.91829681396484	200.0
101.29052734375	144.0
101.32223510742188	164.0
101.37667846679688	192.0
101.65140533447266	144.0
101.7281723022461	112.0
101.77384948730469	148.0
101.7999496459961	232.0
102.0108642578125	168.0
102.2080078125	148.0
102.25827026367188	156.0
102.3851547241211	164.0
102.44280242919922	148.0
102.82667541503906	168.0
103.09123229980469	152.0
103.1073989868164	144.0
103.13165283203125	196.0
103.1761245727539	140.0
103.43910217285156	200.0
103.60313415527344	168.0
103.81189727783203	164.0
103.9234619140625	164.0
104.03507995605469	160.0
104.27273559570312	200.0
104.3159408569336	140.0
104.56763458251953	164.0
104.7020034790039	228.0
104.7529296875	156.0
104.95282745361328	140.0
105.2041244506836	124.0
105.2260513305664	140.0
105.3935317993164	160.0
105.76573944091797	208.0
105.8058853149414	176.0
105.85172271728516	140.0
105.99510955810547	160.0
106.02802276611328	400.0
106.06604766845703	588.0
106.37774658203125	148.0
106.42584991455078	168.0
106.46186828613281	136.0
106.70116424560547	192.0
106.72994995117188	148.0
106.94184112548828	144.0
107.073974609375	592.0
107.52923583984375	160.0
107.95274353027344	148.0
108.07616424560547	144.0
108.24452209472656	140.0
108.4744873046875	152.0
108.52009582519531	268.0
108.78980255126953	168.0
109.01619720458984	144.0
109.0452651977539	18180.0
109.25322723388672	160.0
109.35330963134766	120.0
109.44123077392578	108.0
109.599609375	140.0
110.00630187988281	128.0
110.04839324951172	1276.0
110.08694458007812	144.0
110.24571228027344	144.0
110.36486053466797	172.0
110.43177795410156	140.0
110.56358337402344	140.0
110.8021011352539	136.0
110.8462905883789	148.0
110.8861083984375	188.0
111.04964447021484	268.0
111.16349029541016	180.0
111.295166015625	212.0
111.66291809082031	176.0
111.68815612792969	144.0
111.91964721679688	152.0
112.2378158569336	164.0
113.11457824707031	208.0
113.33906555175781	220.0
113.51287841796875	160.0
113.66397857666016	156.0
114.01044464111328	2712.0
114.06913757324219	180.0
114.18820190429688	144.0
114.27116394042969	176.0
114.44356536865234	144.0
114.51383972167969	156.0
114.71626281738281	140.0
114.83353424072266	176.0
114.99141693115234	152.0
115.00940704345703	176.0
115.05233764648438	148.0
115.16649627685547	376.0
115.34811401367188	212.0
115.4908447265625	176.0
115.61547088623047	144.0
115.75032806396484	152.0
115.77644348144531	144.0
115.84456634521484	164.0
115.8659896850586	152.0
115.94741821289062	176.0
116.00775909423828	1004.0
116.04570007324219	160.0
116.44515228271484	148.0
116.48538970947266	164.0
116.5654525756836	160.0
116.86433410644531	168.0
117.06063842773438	180.0
117.15067291259766	160.0
117.77172088623047	140.0
117.86048126220703	172.0
118.04989624023438	344.0
118.11991119384766	164.0
118.4814224243164	176.0
118.50092315673828	204.0
118.59410858154297	192.0
118.6721420288086	168.0
118.77623748779297	188.0
118.88255310058594	184.0
118.9780502319336	164.0
119.0953140258789	200.0
119.26261901855469	184.0
119.45396423339844	144.0
119.6520004272461	148.0
120.01585388183594	216.0
120.0420150756836	188.0
120.07909393310547	208.0
120.18379974365234	156.0
120.22089385986328	180.0
120.47417449951172	196.0
120.54627227783203	220.0
120.5746841430664	208.0
120.59959411621094	140.0
120.71530151367188	148.0
120.84364318847656	156.0
121.21806335449219	164.0
121.36054229736328	176.0
121.37589263916016	168.0
121.41974639892578	220.0
121.71365356445312	176.0
122.15995025634766	352.0
122.31178283691406	156.0
122.36312103271484	188.0
122.50556182861328	192.0
123.5032958984375	144.0
123.56302642822266	152.0
123.74229431152344	152.0
123.9261245727539	160.0
124.1677474975586	148.0
124.2564697265625	216.0
124.28974914550781	192.0
124.34300994873047	140.0
124.60059356689453	144.0
124.63016510009766	244.0
124.87622833251953	172.0
124.9992904663086	164.0
125.0157470703125	528.0
125.18779754638672	164.0
125.23274993896484	172.0
125.27911376953125	188.0
125.39275360107422	160.0
125.43955993652344	140.0
125.49752807617188	172.0
125.67595672607422	176.0
125.82102966308594	220.0
126.01287078857422	192.0
126.03201293945312	180.0
126.05555725097656	148.0
126.15836334228516	160.0
126.53644561767578	152.0
126.67081451416016	200.0
126.70677185058594	156.0
126.79853057861328	224.0
126.84111785888672	148.0
126.94648742675781	156.0
127.01152801513672	236.0
127.09453582763672	160.0
127.35494995117188	168.0
127.47401428222656	168.0
127.50098419189453	168.0
127.53469848632812	188.0
127.67183685302734	204.0
128.02650451660156	236.0
128.4517364501953	180.0
128.5902557373047	100.0
128.6677703857422	148.0
128.74072265625	172.0
128.91848754882812	168.0
128.9772491455078	172.0
128.99749755859375	180.0
129.33517456054688	152.0
129.3912353515625	152.0
129.49765014648438	140.0
129.6335906982422	148.0
130.0281219482422	136.0
130.09173583984375	272.0
130.16432189941406	132.0
130.3955535888672	200.0
130.49839782714844	180.0
130.78958129882812	168.0
130.8553009033203	148.0
131.514404296875	164.0
131.54408264160156	180.0
131.5806121826172	188.0
131.651611328125	164.0
131.91024780273438	160.0
132.0431365966797	308.0
132.07655334472656	152.0
132.2389373779297	156.0
132.29737854003906	148.0
132.41981506347656	160.0
132.54010009765625	160.0
132.5733642578125	156.0
132.62612915039062	176.0
132.6499786376953	168.0
132.7177276611328	184.0
132.74752807617188	180.0
133.05479431152344	148.0
133.2892608642578	160.0
133.4593505859375	152.0
133.7054901123047	168.0
133.99362182617188	148.0
134.05987548828125	1740.0
134.24917602539062	148.0
134.47987365722656	188.0
134.84017944335938	172.0
134.90951538085938	192.0
135.06854248046875	19156.0
135.10325622558594	184.0
135.3245086669922	148.0
135.42552185058594	184.0
135.45977783203125	220.0
135.5584259033203	164.0
135.75230407714844	144.0
135.95643615722656	200.0
136.0005340576172	180.0
136.07151794433594	1968.0
136.1259002685547	216.0
136.31405639648438	180.0
136.7233428955078	148.0
136.76290893554688	148.0
136.8257598876953	152.0
137.04934692382812	192.0
137.07659912109375	272.0
137.12391662597656	148.0
137.42007446289062	164.0
137.58885192871094	176.0
137.73289489746094	172.0
138.03811645507812	220.0
138.20278930664062	172.0
138.32447814941406	148.0
139.0532989501953	152.0
139.3446044921875	164.0
139.48326110839844	176.0
139.54672241210938	204.0
139.7537078857422	172.0
139.92037963867188	196.0
140.03076171875	296.0
140.38975524902344	164.0
140.65158081054688	144.0
140.67755126953125	156.0
140.71060180664062	252.0
140.8971710205078	144.0
140.99404907226562	144.0
141.02951049804688	148.0
141.16297912597656	148.0
141.18081665039062	172.0
141.50616455078125	120.0
141.5981903076172	144.0
141.67076110839844	212.0
141.8058319091797	164.0
142.0052947998047	5204.0
142.04183959960938	1244.0
142.2209014892578	200.0
142.2454071044922	160.0
142.60028076171875	148.0
142.81015014648438	224.0
143.0110321044922	408.0
143.04200744628906	136.0
143.0817413330078	3904.0
143.1290283203125	144.0
143.3350372314453	132.0
143.3743896484375	196.0
143.4268341064453	140.0
143.59373474121094	172.0
143.62950134277344	264.0
143.64981079101562	164.0
143.6757354736328	156.0
144.0030975341797	1548.0
144.04046630859375	332.0
144.084716796875	168.0
144.13629150390625	144.0
144.2108154296875	104.0
144.23838806152344	160.0
144.6337890625	172.0
144.7918701171875	224.0
144.81503295898438	176.0
144.858154296875	196.0
145.00230407714844	100.0
145.05821228027344	140.0
145.0861053466797	364.0
145.11973571777344	132.0
145.23927307128906	204.0
145.49217224121094	164.0
145.6665496826172	192.0
145.7698516845703	176.0
146.01931762695312	436.0
146.0617218017578	140.0
146.13052368164062	160.0
146.42660522460938	264.0
146.71334838867188	188.0
147.06793212890625	160.0
147.1522979736328	156.0
147.2224578857422	164.0
147.25588989257812	204.0
147.30699157714844	204.0
147.3504638671875	172.0
147.4495391845703	144.0
148.06922912597656	140.0
148.20211791992188	140.0
148.29905700683594	160.0
148.66526794433594	144.0
148.71380615234375	140.0
149.00033569335938	184.0
149.07772827148438	132.0
149.2506866455078	144.0
149.5207061767578	164.0
149.5572052001953	148.0
150.7449188232422	148.0
151.0187225341797	376.0
151.17576599121094	188.0
151.26095581054688	160.0
151.52789306640625	172.0
151.83920288085938	140.0
152.02552795410156	1144.0
152.0882568359375	268.0
152.27606201171875	140.0
152.34237670898438	196.0
152.36871337890625	188.0
152.41116333007812	192.0
152.4873504638672	148.0
153.00877380371094	256.0
153.0273895263672	228.0
153.08299255371094	164.0
153.1097869873047	216.0
153.2698974609375	152.0
153.37887573242188	204.0
153.40298461914062	148.0
153.4449005126953	296.0
153.69894409179688	164.0
154.0229949951172	168.0
154.05198669433594	192.0
154.10633850097656	156.0
154.2299041748047	144.0
154.3785858154297	148.0
154.67018127441406	176.0
154.79893493652344	148.0
154.8806610107422	160.0
154.9153289794922	140.0
155.00204467773438	256.0
155.02188110351562	288.0
155.11973571777344	180.0
155.35906982421875	192.0
155.50050354003906	144.0
155.55015563964844	156.0
155.85064697265625	236.0
155.98484802246094	348.0
156.02023315429688	944.0
156.0494842529297	152.0
156.2424774169922	120.0
156.3597869873047	216.0
156.4351043701172	156.0
156.45851135253906	160.0
156.7654266357422	140.0
157.02354431152344	148.0
157.06802368164062	144.0
157.15036010742188	208.0
157.3974609375	176.0
157.62477111816406	160.0
157.90225219726562	172.0
158.01731872558594	292.0
158.33522033691406	240.0
158.40362548828125	168.0
159.03221130371094	204.0
159.3737335205078	212.0
159.43405151367188	188.0
159.4566650390625	164.0
159.54966735839844	164.0
159.680419921875	152.0
159.7533721923828	168.0
160.04656982421875	112.0
160.21405029296875	164.0
160.9606170654297	204.0
161.0313262939453	236.0
161.06163024902344	144.0
161.09193420410156	164.0
161.1854248046875	284.0
161.22731018066406	152.0
161.27117919921875	120.0
161.4498748779297	188.0
161.5140838623047	224.0
161.5621337890625	168.0
161.57984924316406	200.0
161.7848358154297	144.0
161.827880859375	164.0
162.0555877685547	7024.0
162.2598876953125	132.0
162.3853759765625	176.0
162.49952697753906	144.0
162.80665588378906	168.0
162.86253356933594	192.0
162.89047241210938	172.0
163.06044006347656	1016.0
163.1846466064453	180.0
163.97183227539062	144.0
164.0126190185547	176.0
164.03155517578125	168.0
164.13499450683594	188.0
164.25994873046875	172.0
164.53045654296875	160.0
164.83694458007812	164.0
165.0406494140625	144.0
165.06700134277344	144.0
165.10025024414062	148.0
165.2869873046875	184.0
165.40216064453125	188.0
165.46871948242188	196.0
165.48919677734375	164.0
165.85809326171875	148.0
166.07090759277344	172.0
166.17095947265625	160.0
166.6908416748047	148.0
166.769287109375	176.0
166.96627807617188	192.0
167.183349609375	192.0
167.70616149902344	140.0
167.7241973876953	180.0
167.77059936523438	164.0
168.02357482910156	304.0
168.4467010498047	192.0
168.83241271972656	156.0
168.96517944335938	172.0
169.00253295898438	160.0
169.029052734375	1248.0
169.108642578125	216.0
169.13711547851562	164.0
169.16493225097656	112.0
169.24964904785156	136.0
169.28408813476562	208.0
169.33389282226562	152.0
169.45909118652344	108.0
169.52980041503906	96.0
169.55410766601562	184.0
169.657470703125	108.0
169.6822052001953	164.0
169.75111389160156	148.0
169.7771453857422	220.0
169.82632446289062	208.0
169.8957977294922	144.0
169.94000244140625	600.0
170.00131225585938	159360.0
170.03765869140625	83232.0
170.157958984375	260.0
170.2008056640625	160.0
170.26202392578125	156.0
170.30479431152344	144.0
170.34649658203125	264.0
170.3933563232422	156.0
170.4278106689453	228.0
170.4565887451172	104.0
170.500244140625	112.0
170.59024047851562	204.0
170.65219116210938	144.0
170.7197265625	172.0
170.82992553710938	152.0
170.92446899414062	148.0
170.94052124023438	144.0
170.97348022460938	108.0
171.00408935546875	13036.0
171.04112243652344	5408.0
171.09512329101562	148.0
171.13099670410156	120.0
171.34336853027344	168.0
171.4750518798828	184.0
171.50457763671875	188.0
171.54991149902344	276.0
171.60032653808594	116.0
171.7110137939453	128.0
171.75108337402344	180.0
171.878662109375	400.0
171.92208862304688	96.0
171.99815368652344	53720.0
172.0345916748047	19852.0
172.07687377929688	276.0
172.12457275390625	156.0
172.15228271484375	160.0
172.18638610839844	136.0
172.23768615722656	132.0
172.3000946044922	256.0
172.35467529296875	196.0
172.39370727539062	140.0
172.4628448486328	360.0
172.49948120117188	144.0
172.55538940429688	144.0
172.57843017578125	124.0
172.8513641357422	152.0
173.0004425048828	2552.0
173.03565979003906	1080.0
173.07472229003906	108.0
173.4269256591797	116.0
173.45623779296875	152.0
173.48573303222656	152.0
173.51885986328125	168.0
173.572998046875	120.0
173.82310485839844	180.0
173.9821014404297	152.0
174.0028533935547	208.0
174.1524658203125	136.0
174.20266723632812	184.0
174.22267150878906	128.0
174.35694885253906	196.0
174.39576721191406	216.0
174.44200134277344	180.0
175.0829315185547	116.0
175.41082763671875	136.0
175.43008422851562	144.0
175.5216064453125	176.0
175.82139587402344	100.0
175.8964385986328	132.0
176.09239196777344	192.0
176.7982635498047	204.0
176.86708068847656	172.0
176.96768188476562	168.0
177.02857971191406	200.0
177.06829833984375	196.0
177.17279052734375	132.0
177.40170288085938	160.0
177.44192504882812	148.0
177.7230682373047	144.0
177.8511199951172	172.0
178.1903533935547	176.0
178.4720916748047	160.0
178.53057861328125	176.0
178.70880126953125	168.0
178.79928588867188	180.0
179.12310791015625	120.0
179.4625701904297	140.0
179.57456970214844	164.0
180.02101135253906	9684.0
180.11932373046875	160.0
180.28396606445312	184.0
180.35092163085938	96.0
180.625732421875	148.0
180.68846130371094	192.0
180.72959899902344	192.0
180.9453887939453	144.0
181.02496337890625	1208.0
181.23733520507812	168.0
181.6857452392578	188.0
182.0188446044922	3396.0
182.28379821777344	184.0
182.3083953857422	132.0
182.93736267089844	176.0
183.0230255126953	256.0
183.1051025390625	148.0
183.61097717285156	152.0
183.67300415039062	200.0
183.694580078125	156.0
183.9725341796875	240.0
184.05206298828125	1136.0
184.1399383544922	200.0
184.1837921142578	188.0
184.337158203125	172.0
184.4803924560547	164.0
184.59666442871094	160.0
184.66156005859375	164.0
184.83200073242188	164.0
185.068115234375	128.0
185.2733154296875	192.0
185.3247833251953	208.0
185.45758056640625	156.0
185.6256561279297	172.0
185.6907501220703	196.0
185.80738830566406	156.0
186.04371643066406	288.0
186.35308837890625	140.0
186.65286254882812	112.0
187.02687072753906	304.0
187.4456787109375	124.0
187.52049255371094	140.0
187.7435302734375	188.0
187.98411560058594	224.0
188.01315307617188	124.0
188.13018798828125	136.0
188.5685272216797	172.0
189.0115509033203	164.0
189.26063537597656	156.0
189.40029907226562	152.0
189.4953155517578	172.0
189.62771606445312	168.0
189.89141845703125	176.0
190.00729370117188	168.0
190.085693359375	140.0
190.38490295410156	148.0
190.42999267578125	168.0
190.72833251953125	156.0
190.8437957763672	176.0
191.17938232421875	168.0
191.2289276123047	232.0
191.8144073486328	224.0
192.08827209472656	100.0
192.12722778320312	148.0
192.19895935058594	228.0
193.36788940429688	148.0
193.46200561523438	156.0
194.0687255859375	140.0
194.0985565185547	232.0
194.20462036132812	188.0
194.86251831054688	160.0
194.8875274658203	148.0
194.9194793701172	96.0
195.1793670654297	180.0
195.19883728027344	140.0
195.25872802734375	116.0
195.72752380371094	196.0
196.01087951660156	116.0
196.1231231689453	160.0
196.14541625976562	152.0
196.18386840820312	136.0
196.45494079589844	300.0
196.62794494628906	192.0
197.04832458496094	156.0
197.09988403320312	228.0
197.25694274902344	116.0
197.29208374023438	172.0
197.36004638671875	104.0
197.41961669921875	116.0
197.522705078125	100.0
197.5792236328125	224.0
197.6139678955078	236.0
197.64181518554688	172.0
197.66067504882812	144.0
197.69830322265625	152.0
197.76406860351562	96.0
197.78468322753906	168.0
197.8104248046875	128.0
197.86558532714844	292.0
197.9098663330078	384.0
197.95657348632812	528.0
197.98744201660156	516.0
198.03341674804688	383956.0
198.21722412109375	128.0
198.26451110839844	204.0
198.32510375976562	276.0
198.36117553710938	364.0
198.42958068847656	340.0
198.46849060058594	156.0
198.49313354492188	5532.0
198.5318603515625	132.0
198.5863037109375	116.0
198.6405487060547	132.0
198.6901397705078	232.0
198.7443389892578	140.0
198.80325317382812	168.0
198.843994140625	216.0
198.88282775878906	160.0
198.95655822753906	172.0
198.9960479736328	160.0
199.03567504882812	53928.0
199.12469482421875	184.0
199.17449951171875	164.0
199.19862365722656	108.0
199.2673797607422	144.0
199.30911254882812	108.0
199.3917694091797	112.0
199.51434326171875	284.0
199.59176635742188	100.0
199.73313903808594	140.0
199.8629608154297	292.0
199.9416046142578	112.0
199.97361755371094	316.0
200.0298309326172	154268.0
200.1076202392578	380.0
200.14208984375	192.0
200.1950225830078	128.0
200.2324981689453	244.0
200.28407287597656	180.0
200.30543518066406	132.0
200.37118530273438	504.0
200.4325714111328	312.0
200.46148681640625	236.0
200.52780151367188	512.0
200.56842041015625	160.0
200.5988311767578	340.0
200.66680908203125	220.0
200.75003051757812	156.0
200.8204345703125	112.0
200.859130859375	204.0
200.9654083251953	116.0
201.03237915039062	9932.0
201.14398193359375	236.0
201.24771118164062	152.0
201.27479553222656	116.0
201.29896545410156	232.0
201.55596923828125	192.0
201.62457275390625	132.0
201.89279174804688	188.0
202.03956604003906	904.0
202.07823181152344	108.0
202.26626586914062	104.0
202.29173278808594	160.0
202.36729431152344	228.0
202.3898162841797	104.0
202.4465789794922	180.0
202.5121307373047	96.0
202.59088134765625	220.0
202.71658325195312	156.0
203.4941864013672	136.0
203.6499481201172	144.0
203.70675659179688	152.0
204.1318817138672	124.0
205.35308837890625	112.0
206.4829559326172	236.0
206.95797729492188	172.0
207.09829711914062	144.0
207.8484344482422	96.0
208.11279296875	1984.0
208.2264404296875	164.0
208.31163024902344	164.0
208.9901123046875	144.0
209.1210479736328	376.0
210.39944458007812	204.0
211.06063842773438	464.0
211.09194946289062	124.0
211.1796417236328	160.0
212.4483642578125	180.0
213.06381225585938	196.0
213.48855590820312	144.0
213.71551513671875	104.0
213.8460235595703	208.0
213.8850860595703	120.0
214.0614471435547	148.0
215.05909729003906	372.0
215.10812377929688	144.0
216.08087158203125	484.0
216.1895294189453	156.0
216.94813537597656	148.0
217.05099487304688	296.0
217.0888671875	184.0
218.0664825439453	196.0
218.47520446777344	184.0
218.80775451660156	164.0
219.3792724609375	156.0
220.46249389648438	152.0
220.98883056640625	168.0
223.1242218017578	168.0
223.1717987060547	208.0
223.8174591064453	188.0
225.13864135742188	312.0
225.1765594482422	196.0
226.79293823242188	156.0
228.49258422851562	188.0
228.799560546875	164.0
230.6022186279297	144.0
231.53219604492188	168.0
231.87289428710938	128.0
232.3748779296875	188.0
233.4805450439453	140.0
234.30848693847656	192.0
236.5561065673828	140.0
236.6055145263672	148.0
237.18099975585938	148.0
238.16900634765625	148.0
243.0432891845703	124.0
243.27955627441406	160.0
244.11241149902344	228.0
246.13143920898438	152.0
247.36634826660156	200.0
248.93084716796875	176.0
250.2420196533203	264.0
251.0549774169922	144.0
251.11666870117188	192.0
251.38819885253906	152.0
252.05601501464844	612.0
252.12046813964844	288.0
253.08363342285156	176.0
253.533447265625	192.0
254.0576629638672	296.0
255.09030151367188	148.0
256.0368347167969	140.0
257.9671936035156	220.0
260.5661926269531	176.0
261.0837097167969	164.0
261.1448059082031	164.0
266.07781982421875	236.0
267.02508544921875	164.0
267.0768127441406	268.0
268.4022521972656	140.0
268.7643127441406	164.0
270.5271911621094	164.0
270.7256164550781	144.0
272.2242431640625	140.0
274.7652587890625	184.0
274.8997802734375	104.0
276.0419616699219	180.0
276.9966735839844	156.0
277.3412780761719	152.0
278.07757568359375	364.0
279.7095642089844	144.0
279.9393005371094	144.0
280.0892028808594	4208.0
281.09234619140625	548.0
281.2049560546875	124.0
281.6401672363281	188.0
282.0860595703125	1184.0
282.9208984375	176.0
283.0983581542969	120.0
286.02264404296875	144.0
287.69122314453125	160.0
289.12774658203125	152.0
290.0354309082031	144.0
291.67828369140625	172.0
292.443603515625	196.0
293.01226806640625	212.0
294.72161865234375	152.0
295.3985290527344	168.0
297.6811218261719	244.0
299.4143371582031	148.0
299.8735656738281	116.0
299.9139099121094	140.0
300.562255859375	140.0
301.200927734375	152.0
303.4503173828125	176.0
303.845703125	200.0
306.07049560546875	308.0
306.1989440917969	152.0
306.3800964355469	172.0
306.613525390625	224.0
307.7577209472656	172.0
307.7961120605469	156.0
308.0830993652344	120.0
311.3223876953125	180.0
311.97943115234375	168.0
312.1059875488281	152.0
312.4893493652344	144.0
313.1408996582031	136.0
315.45880126953125	192.0
317.95587158203125	168.0
318.8401794433594	148.0
320.69085693359375	144.0
321.06878662109375	168.0
322.2824401855469	212.0
322.5075988769531	144.0
326.3768615722656	140.0
328.1471862792969	164.0
328.18408203125	168.0
328.4212341308594	180.0
330.2850341796875	160.0
330.8821105957031	156.0
334.0939025878906	144.0
334.24609375	120.0
334.7308349609375	228.0
334.9347839355469	180.0
335.10235595703125	172.0
338.03802490234375	160.0
338.1441650390625	192.0
338.396728515625	168.0
338.697021484375	176.0
339.21734619140625	168.0
339.67938232421875	168.0
341.3294982910156	168.0
342.54290771484375	232.0
344.3502502441406	148.0
345.633544921875	120.0
345.9031677246094	148.0
346.2660217285156	200.0
346.4586486816406	148.0
347.2370300292969	140.0
349.12213134765625	188.0
349.1980285644531	172.0
349.2463684082031	160.0
352.53839111328125	152.0
353.39141845703125	152.0
353.7165222167969	140.0
353.9411315917969	156.0
355.1891174316406	144.0
355.8646240234375	192.0
356.9843444824219	160.0
357.2023010253906	164.0
359.4064025878906	196.0
359.56866455078125	148.0
359.6497497558594	116.0
362.10931396484375	148.0
365.6401062011719	148.0
365.96746826171875	148.0
367.11822509765625	168.0
367.604736328125	124.0
367.86407470703125	108.0
369.1574401855469	180.0
369.3027648925781	140.0
372.15386962890625	204.0
372.5494384765625	140.0
373.9798889160156	160.0
374.26861572265625	152.0
376.42022705078125	144.0
379.5291442871094	104.0
381.4872131347656	148.0
384.4207458496094	184.0
384.7251892089844	148.0
385.9676208496094	184.0
386.4056701660156	152.0
386.4917297363281	144.0
387.4509582519531	160.0
388.1329345703125	296.0
388.5565185546875	196.0
392.4659729003906	144.0
393.5672912597656	168.0
393.7405700683594	156.0
394.13818359375	296.0
395.141357421875	180.0
395.7256164550781	228.0
395.9315185546875	144.0
397.14825439453125	172.0
397.98858642578125	112.0
398.6092224121094	148.0
399.523681640625	188.0
399.5916748046875	104.0
400.3714904785156	188.0
401.2321472167969	160.0
401.2640380859375	180.0
401.686767578125	144.0
402.1590270996094	100.0
404.1505126953125	200.0
404.8762512207031	228.0
405.16619873046875	160.0
405.5163269042969	268.0
406.12957763671875	280.0
407.3268737792969	244.0
407.5518493652344	212.0
407.6859130859375	208.0
409.104248046875	212.0
409.65191650390625	196.0
412.41595458984375	216.0
413.285400390625	200.0
414.31378173828125	148.0
414.8324890136719	148.0
416.1184997558594	168.0
416.1712951660156	204.0
416.792724609375	152.0
417.06500244140625	144.0
417.2430725097656	144.0
417.94952392578125	104.0
418.19842529296875	200.0
418.2359619140625	136.0
418.64654541015625	108.0
418.98291015625	96.0
419.2379455566406	128.0
419.4228210449219	104.0
419.5970153808594	168.0
419.79681396484375	140.0
420.2347106933594	156.0
420.3617858886719	192.0
420.3985290527344	104.0
420.4563903808594	224.0
420.6156921386719	144.0
420.7201843261719	128.0
420.8307800292969	140.0
420.913818359375	200.0
420.9873046875	308.0
421.0610046386719	264.0
421.1634826660156	180.0
421.2370300292969	128.0
421.2977294921875	152.0
421.3490295410156	196.0
421.4270324707031	248.0
421.5001525878906	124.0
421.54315185546875	116.0
421.6562805175781	240.0
421.7608947753906	436.0
421.8401184082031	368.0
421.9056701660156	224.0
421.9607849121094	320.0
422.0126037597656	244.0
422.0698547363281	444.0
422.1669616699219	225860.0
422.30499267578125	288.0
422.40911865234375	108.0
422.4625244140625	324.0
422.4954528808594	484.0
422.549560546875	296.0
422.61090087890625	236.0
422.64453125	208.0
422.7568054199219	236.0
422.7821960449219	548.0
422.83941650390625	3872.0
422.9036865234375	300.0
422.9680480957031	476.0
423.05364990234375	364.0
423.16876220703125	74492.0
423.34625244140625	172.0
423.3881530761719	212.0
423.46563720703125	164.0
423.5137939453125	348.0
423.64794921875	200.0
423.7053527832031	224.0
423.8473815917969	580.0
423.95245361328125	388.0
423.998779296875	252.0
424.0587158203125	140.0
424.1011047363281	440.0
424.1630859375	111524.0
424.31219482421875	204.0
424.3883361816406	132.0
424.4342041015625	136.0
424.4732666015625	284.0
424.5090637207031	200.0
424.58782958984375	248.0
424.6475524902344	156.0
424.702880859375	128.0
424.73468017578125	272.0
424.8323669433594	276.0
424.87542724609375	164.0
424.9498291015625	132.0
425.16455078125	18132.0
425.23858642578125	336.0
425.2934265136719	176.0
425.3963623046875	100.0
425.45172119140625	176.0
425.5198974609375	240.0
425.5594787597656	104.0
425.59234619140625	300.0
425.6632995605469	408.0
425.73583984375	284.0
425.79351806640625	176.0
425.8565979003906	504.0
425.920166015625	184.0
425.95635986328125	236.0
426.0171203613281	100.0
426.0666809082031	192.0
426.10467529296875	144.0
426.1671447753906	1260.0
426.25421142578125	132.0
426.2923583984375	200.0
426.3452453613281	132.0
426.5046081542969	196.0
426.6673278808594	304.0
426.7206726074219	156.0
426.7682189941406	204.0
426.82928466796875	116.0
426.86590576171875	116.0
426.99566650390625	236.0
427.0887145996094	128.0
427.17144775390625	140.0
427.4892272949219	156.0
427.5233459472656	116.0
427.6014709472656	140.0
427.6639404296875	180.0
427.7187805175781	208.0
428.0118103027344	220.0
428.13336181640625	116.0
428.25457763671875	708.0
429.0658874511719	120.0
429.48516845703125	116.0
429.692138671875	192.0
430.9932861328125	128.0
433.8299865722656	168.0
433.9771423339844	96.0
439.1607666015625	164.0
444.1243896484375	116.0
444.19476318359375	96.0
447.2116394042969	136.0
462.15191650390625	144.0
462.2845764160156	172.0
466.1016845703125	120.0
482.31597900390625	132.0
500.48193359375	144.0
550.1493530273438	140.0
575.55126953125	208.0
601.8486328125	140.0
614.3638916015625	168.0
651.7826538085938	148.0
723.8320922851562	140.0
1011.1152954101562	268.0
1074.3553466796875	156.0
1182.1717529296875	148.0
1184.94482421875	216.0
1225.8438720703125	160.0
1237.088623046875	188.0
1257.7056884765625	176.0
1295.6153564453125	172.0
1313.673828125	188.0
1331.0582275390625	220.0
1334.09521484375	172.0
1336.3570556640625	172.0
1353.29736328125	200.0
1367.6859130859375	144.0
1387.913330078125	200.0
1408.1024169921875	188.0
1409.9415283203125	172.0
1413.9339599609375	168.0
1421.172607421875	180.0
1424.64111328125	152.0
1430.5594482421875	164.0
1431.94482421875	144.0
1434.0845947265625	144.0
1440.85546875	100.0
1444.9736328125	172.0
1472.559814453125	184.0
1473.8660888671875	268.0
1474.93603515625	196.0
1484.3450927734375	176.0
1484.452392578125	152.0
1488.626953125	220.0
1490.8470458984375	268.0
1491.0621337890625	180.0
1495.2152099609375	204.0
1497.6634521484375	176.0
1508.1956787109375	176.0
1510.5308837890625	144.0
1514.834716796875	212.0
1522.427978515625	148.0
1528.8336181640625	140.0
1531.1925048828125	144.0
1536.6881103515625	216.0
1547.3406982421875	148.0
1548.08447265625	172.0
1566.95947265625	144.0
1569.09814453125	112.0
1575.66943359375	168.0
1577.953369140625	172.0
1578.396240234375	180.0
1582.938232421875	184.0
1586.440185546875	144.0
1587.478759765625	160.0
1594.4560546875	196.0
1597.6851806640625	148.0
1601.5299072265625	168.0
1602.398193359375	180.0
1614.635009765625	176.0
1614.6990966796875	152.0
1616.1229248046875	184.0
1617.94775390625	332.0
1618.8604736328125	184.0
1618.91650390625	144.0
1620.9512939453125	156.0
1624.3265380859375	180.0
1626.9505615234375	192.0
1627.76953125	164.0
1628.3558349609375	160.0
1630.1312255859375	176.0
1635.7530517578125	176.0
1637.041259765625	160.0
1640.199462890625	200.0
1644.385498046875	232.0
1644.5550537109375	200.0
1646.896484375	160.0
1649.8055419921875	168.0
1650.4522705078125	144.0
1650.686767578125	192.0
1651.9888916015625	160.0
1657.275634765625	228.0
1659.0343017578125	184.0
1665.785888671875	156.0
1666.1190185546875	176.0
1668.5489501953125	168.0
1670.907470703125	156.0
1677.927734375	164.0
1682.1943359375	172.0
1683.761962890625	204.0
1685.2159423828125	152.0
1694.2728271484375	152.0
1700.6241455078125	136.0
1702.2532958984375	164.0
1705.210693359375	168.0
1705.44091796875	192.0
1706.920654296875	176.0
1709.1827392578125	144.0
1714.8155517578125	144.0
1715.4996337890625	140.0
1716.6126708984375	144.0
1716.777587890625	168.0
1723.083740234375	160.0
1723.67041015625	172.0
1723.827392578125	176.0
1724.951416015625	140.0
1729.26904296875	148.0
1730.69287109375	208.0
1732.9788818359375	228.0
1733.335205078125	204.0
1736.5517578125	212.0
1742.0550537109375	140.0
1742.9619140625	180.0
1743.716796875	288.0
1748.1160888671875	160.0
1749.06494140625	184.0
1750.3802490234375	228.0
1752.9376220703125	144.0
1755.4140625	128.0
1760.8795166015625	220.0
1762.583740234375	156.0
1769.1993408203125	216.0
1773.3372802734375	152.0
1780.26708984375	196.0
1781.3504638671875	148.0
1781.560546875	168.0
1781.84619140625	192.0
1782.005859375	144.0
1784.745849609375	196.0
1786.234375	140.0
1787.51318359375	240.0
1788.8514404296875	288.0
1791.647216796875	164.0
1793.3577880859375	176.0
1794.7740478515625	168.0
1800.520751953125	144.0
1801.4498291015625	200.0
1803.3087158203125	204.0
1803.5115966796875	208.0
1804.8050537109375	152.0
1806.0736083984375	156.0
1806.775634765625	172.0
1809.0521240234375	144.0
1811.8223876953125	140.0
1813.880615234375	148.0
1819.3095703125	144.0
1820.18408203125	152.0
1825.3165283203125	148.0
1832.26171875	168.0
1833.8040771484375	232.0
1836.01220703125	180.0
1836.950439453125	152.0
1837.4793701171875	244.0
1837.9656982421875	192.0
1844.088623046875	156.0
1849.0662841796875	164.0
1849.8023681640625	148.0
1850.41015625	184.0
1850.5985107421875	156.0
1854.6248779296875	204.0
1855.7392578125	172.0
1857.239990234375	156.0
1858.054931640625	144.0
1858.398193359375	172.0
1865.818603515625	208.0
1866.6697998046875	160.0
1870.96240234375	160.0
1871.79833984375	184.0
1873.4779052734375	192.0
1876.8218994140625	180.0
1877.2530517578125	144.0
1878.279296875	140.0
1878.400146484375	144.0
1879.7633056640625	168.0
1881.96435546875	192.0
1884.5814208984375	252.0
1889.172119140625	280.0
1890.8853759765625	160.0
1894.2015380859375	140.0
1900.660400390625	340.0
1901.75390625	216.0
1903.0733642578125	208.0
1903.823486328125	212.0
1904.541015625	216.0
1908.1754150390625	156.0
1910.8956298828125	144.0
1917.6578369140625	204.0
1918.4361572265625	124.0
1918.890869140625	208.0
1922.144287109375	196.0
1922.240234375	148.0
1923.4794921875	148.0
1924.7017822265625	204.0
1925.01611328125	160.0
1928.7904052734375	208.0
1933.09326171875	172.0
1937.3309326171875	176.0
1938.3922119140625	164.0
1942.625732421875	144.0
1945.907958984375	148.0
1946.2679443359375	144.0
1946.935302734375	172.0
1947.34814453125	156.0
1951.328857421875	168.0
1951.504638671875	148.0
1952.0146484375	176.0
1953.245849609375	192.0
1958.5535888671875	144.0
1960.8092041015625	152.0
1963.5333251953125	236.0
1964.8917236328125	152.0
1965.3197021484375	144.0
1966.277099609375	180.0
1966.5860595703125	260.0
1967.1644287109375	240.0
1970.6834716796875	140.0
1973.034423828125	180.0
1973.202392578125	176.0
1974.325439453125	152.0
1976.6607666015625	168.0
1977.005859375	164.0
1977.9617919921875	156.0
1978.87353515625	140.0
1979.0772705078125	164.0
1980.8572998046875	152.0
1985.72607421875	176.0
1988.00341796875	164.0
1989.8319091796875	148.0
1990.497802734375	180.0
1992.52294921875	256.0
1995.2591552734375	152.0
1997.892578125	164.0
1998.2158203125	180.0
2001.247802734375	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078964
PEPMASS=614.377014
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=37.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Indinavir Sulfate [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]4[C@H](O)Cc5ccccc45
INCHI=InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1
INCHIAUX=CBVCZFGXHXORBI-PXQQMZJSSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078964
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078964
SCANS=1102
46.591548919677734	188.0
46.67853546142578	180.0
50.440608978271484	152.0
58.152915954589844	168.0
66.83926391601562	156.0
68.48128509521484	160.0
69.92670440673828	188.0
78.90027618408203	160.0
83.04241180419922	156.0
84.34610748291016	244.0
85.48320770263672	180.0
94.06575775146484	444.0
96.92973327636719	192.0
97.07632446289062	2440.0
98.08366394042969	1168.0
101.94664001464844	160.0
103.05692291259766	148.0
105.0240707397461	172.0
106.06688690185547	208.0
107.24259948730469	152.0
112.1156005859375	156.0
113.05536651611328	152.0
115.0533676147461	164.0
116.17903900146484	152.0
117.06671905517578	152.0
117.08179473876953	308.0
119.07364654541016	148.0
121.07534790039062	652.0
122.056640625	164.0
123.09049224853516	432.0
124.0963363647461	384.0
124.54289245605469	184.0
129.09487915039062	180.0
129.89891052246094	200.0
130.92169189453125	176.0
131.08287048339844	176.0
132.08303833007812	344.0
133.06390380859375	1336.0
133.08604431152344	160.0
134.07005310058594	160.0
135.0853271484375	148.0
136.49078369140625	172.0
139.59381103515625	168.0
139.8031768798828	148.0
143.08212280273438	364.0
145.06304931640625	616.0
146.0727996826172	200.0
147.0955810546875	200.0
147.6720428466797	144.0
148.09317016601562	168.0
149.10975646972656	264.0
153.10000610351562	192.0
155.656982421875	140.0
156.467529296875	164.0
157.0657501220703	136.0
158.0682373046875	112.0
161.08901977539062	132.0
163.08619689941406	140.0
164.8957977294922	248.0
171.08445739746094	376.0
172.08258056640625	156.0
174.10208129882812	2840.0
174.574462890625	140.0
175.0756378173828	892.0
175.10784912109375	1568.0
176.07716369628906	480.0
176.11758422851562	2096.0
177.12371826171875	208.0
181.08738708496094	160.0
183.1286163330078	160.0
184.1454315185547	168.0
187.88050842285156	156.0
188.04696655273438	188.0
188.10780334472656	3676.0
188.63421630859375	180.0
189.108154296875	508.0
189.47662353515625	120.0
190.0972900390625	164.0
190.1240234375	396.0
191.67788696289062	152.0
191.7991485595703	148.0
192.10069274902344	1812.0
192.59381103515625	164.0
193.10818481445312	200.0
193.49253845214844	212.0
194.11318969726562	192.0
196.429931640625	144.0
200.1151885986328	160.0
202.13616943359375	188.0
202.35693359375	180.0
203.09939575195312	152.0
206.1161651611328	3572.0
207.12152099609375	760.0
210.08985900878906	116.0
211.11900329589844	152.0
211.88894653320312	184.0
212.51519775390625	192.0
213.11329650878906	144.0
213.145263671875	156.0
214.1320037841797	2556.0
215.14093017578125	428.0
216.14222717285156	128.0
216.17791748046875	148.0
221.1407470703125	388.0
222.15159606933594	292.0
223.16763305664062	428.0
223.46336364746094	144.0
224.1685791015625	128.0
226.123291015625	136.0
227.1627655029297	200.0
228.1603240966797	116.0
232.6025848388672	224.0
232.95787048339844	172.0
241.72068786621094	200.0
242.1273956298828	292.0
242.43601989746094	156.0
243.162841796875	216.0
243.50994873046875	120.0
244.1293487548828	136.0
246.14715576171875	188.0
247.15902709960938	156.0
247.94590759277344	204.0
253.1394805908203	216.0
253.17874145507812	172.0
254.13746643066406	180.0
255.1430206298828	180.0
257.1231689453125	140.0
257.1632385253906	176.0
258.0791931152344	280.0
259.1557922363281	628.0
260.16802978515625	184.0
261.1963806152344	176.0
262.5168762207031	144.0
270.1595153808594	264.0
271.14532470703125	980.0
271.23028564453125	156.0
272.0602111816406	212.0
272.1512756347656	5816.0
272.34259033203125	152.0
273.15447998046875	1280.0
273.6711730957031	172.0
274.1554260253906	204.0
274.9574279785156	128.0
275.18011474609375	144.0
276.1361999511719	308.0
277.2027893066406	1916.0
278.2135925292969	192.0
279.4867248535156	196.0
279.5133361816406	192.0
280.0359802246094	148.0
280.1392517089844	200.0
281.12554931640625	212.0
281.3605651855469	192.0
284.1274719238281	168.0
286.0025634765625	156.0
288.1678466796875	132.0
288.2925720214844	148.0
289.097412109375	228.0
289.1797790527344	1296.0
290.1847839355469	508.0
290.2152404785156	176.0
290.6086730957031	168.0
290.7953186035156	140.0
294.1592102050781	420.0
294.1957702636719	144.0
295.1729431152344	364.0
297.2521667480469	200.0
298.1590881347656	128.0
302.1554870605469	128.0
302.3558654785156	160.0
303.1555480957031	136.0
304.4845275878906	152.0
306.1463928222656	880.0
306.5439758300781	196.0
307.1495056152344	288.0
307.3878479003906	196.0
308.1490173339844	216.0
311.90924072265625	188.0
312.48077392578125	96.0
313.3415222167969	148.0
315.2181701660156	4160.0
316.1639099121094	304.0
316.2193908691406	700.0
316.95599365234375	200.0
317.17816162109375	168.0
318.1831970214844	160.0
319.2029113769531	180.0
319.9665832519531	252.0
320.1618957519531	2032.0
320.21282958984375	128.0
321.17083740234375	476.0
322.1910705566406	260.0
323.1728820800781	152.0
324.15838623046875	2360.0
325.1593017578125	1008.0
325.9768981933594	260.0
329.7392272949219	156.0
333.3377990722656	152.0
336.1570129394531	136.0
336.1982116699219	184.0
337.1822204589844	140.0
338.17498779296875	1832.0
339.1786804199219	640.0
339.3751525878906	148.0
340.1881408691406	180.0
341.1630859375	192.0
341.3395690917969	152.0
346.1906433105469	172.0
348.2021484375	144.0
349.19818115234375	176.0
353.4397277832031	212.0
362.2093505859375	312.0
363.2183837890625	1632.0
364.20257568359375	8916.0
365.20672607421875	2088.0
366.2125244140625	456.0
367.1695861816406	132.0
367.197021484375	196.0
369.004638671875	140.0
369.191162109375	112.0
371.45941162109375	180.0
372.1578674316406	176.0
372.22406005859375	300.0
373.1991271972656	184.0
373.2260437011719	144.0
375.62774658203125	96.0
376.19061279296875	156.0
380.2220153808594	128.0
381.2292175292969	268.0
384.1205139160156	168.0
385.0767822265625	168.0
385.2132263183594	476.0
386.2115478515625	260.0
387.17303466796875	144.0
388.1962585449219	148.0
393.25689697265625	408.0
393.302490234375	228.0
394.2607421875	96.0
395.2310485839844	148.0
397.7713928222656	192.0
402.2166442871094	124.0
403.22418212890625	3660.0
404.22711181640625	1256.0
405.0718994140625	224.0
405.24114990234375	356.0
405.9704895019531	144.0
406.2253723144531	120.0
407.41943359375	224.0
408.2393798828125	144.0
409.2311096191406	168.0
410.2149963378906	128.0
417.0489501953125	160.0
418.82293701171875	168.0
419.2220764160156	324.0
419.5091552734375	180.0
419.613525390625	176.0
419.86138916015625	148.0
419.9927673339844	140.0
420.1020202636719	112.0
420.2255554199219	196.0
420.392578125	156.0
420.4374694824219	148.0
420.7175598144531	152.0
421.1015625	192.0
421.1317443847656	160.0
421.23602294921875	61316.0
421.3575134277344	120.0
421.4085998535156	116.0
421.4991149902344	100.0
421.551025390625	112.0
421.7954406738281	144.0
421.8375244140625	112.0
421.92633056640625	156.0
421.978759765625	144.0
422.0084228515625	192.0
422.0953674316406	104.0
422.14556884765625	116.0
422.2387390136719	16852.0
422.3546447753906	180.0
422.5727844238281	128.0
422.9120178222656	128.0
423.2426452636719	1924.0
423.65167236328125	160.0
423.8839416503906	216.0
424.24517822265625	160.0
424.2870788574219	240.0
424.3929138183594	120.0
424.8002624511719	200.0
424.8905944824219	128.0
425.0254211425781	136.0
425.2463073730469	216.0
425.40069580078125	156.0
426.1168518066406	156.0
429.2161560058594	156.0
431.21417236328125	164.0
435.4234924316406	196.0
440.1792297363281	152.0
451.7288513183594	140.0
452.41864013671875	144.0
464.30108642578125	492.0
464.8988342285156	160.0
465.2843933105469	5376.0
465.3924560546875	176.0
466.0680847167969	148.0
466.2890930175781	1280.0
467.28466796875	492.0
468.2911071777344	148.0
477.2759094238281	164.0
478.2723693847656	180.0
482.31329345703125	192.0
490.65069580078125	188.0
494.0910339355469	188.0
495.27264404296875	2248.0
495.9287109375	164.0
496.28057861328125	512.0
497.2876281738281	268.0
500.7092590332031	160.0
504.3110656738281	148.0
505.3224182128906	132.0
508.00836181640625	236.0
511.963623046875	176.0
513.2855224609375	2480.0
513.3471069335938	208.0
514.2886962890625	600.0
515.284423828125	128.0
521.309814453125	144.0
523.898681640625	188.0
532.6174926757812	164.0
540.3140258789062	228.0
541.287109375	112.0
556.9487915039062	148.0
559.4974975585938	148.0
564.262451171875	148.0
565.4828491210938	204.0
576.5690307617188	140.0
577.410400390625	164.0
579.353759765625	156.0
583.9281616210938	140.0
594.360595703125	104.0
596.1134643554688	124.0
596.159423828125	164.0
596.2177734375	192.0
596.35693359375	3744.0
597.3636474609375	1676.0
598.3699951171875	492.0
599.3641357421875	220.0
599.9510498046875	148.0
602.3909912109375	152.0
605.785888671875	268.0
610.4878540039062	160.0
610.7129516601562	104.0
610.857666015625	104.0
611.5550537109375	104.0
611.9747924804688	112.0
612.5324096679688	144.0
612.7865600585938	160.0
613.0802612304688	124.0
613.156982421875	116.0
613.1940307617188	272.0
613.2474975585938	208.0
613.3138427734375	156.0
613.3504638671875	116.0
613.4150390625	180.0
613.536376953125	224.0
613.672607421875	252.0
613.7498779296875	172.0
613.8927612304688	328.0
613.9497680664062	184.0
614.010986328125	160.0
614.1246337890625	368.0
614.1721801757812	312.0
614.2268676757812	356.0
614.2984619140625	204.0
614.3709106445312	102572.0
614.5341796875	280.0
614.6737060546875	136.0
614.7647094726562	208.0
614.8477172851562	100.0
614.91552734375	156.0
614.9905395507812	136.0
615.16259765625	176.0
615.2267456054688	160.0
615.2718505859375	108.0
615.3731079101562	41012.0
615.4817504882812	208.0
615.5437622070312	224.0
615.7081909179688	112.0
615.8464965820312	260.0
615.9317626953125	256.0
615.99951171875	244.0
616.0543212890625	180.0
616.1471557617188	140.0
616.376708984375	7768.0
616.53125	148.0
616.714599609375	168.0
616.785400390625	184.0
616.9406127929688	100.0
617.3783569335938	1508.0
617.7387084960938	104.0
617.9684448242188	196.0
618.1336059570312	180.0
618.2333984375	148.0
618.3934936523438	116.0
618.4818115234375	216.0
618.721435546875	108.0
618.8040771484375	112.0
618.8870239257812	232.0
619.022705078125	116.0
619.0692138671875	320.0
619.1272583007812	136.0
619.1731567382812	100.0
619.3809204101562	112.0
619.546875	148.0
619.6575317382812	124.0
619.7426147460938	144.0
619.8812866210938	280.0
620.2197265625	96.0
620.8464965820312	112.0
621.0711059570312	140.0
627.3770751953125	144.0
633.3473510742188	108.0
638.3052978515625	96.0
706.09521484375	152.0
800.007080078125	148.0
804.6298217773438	140.0
1390.4954833984375	164.0
1395.0487060546875	152.0
1399.3040771484375	212.0
1466.1595458984375	200.0
1698.9874267578125	156.0
1721.6885986328125	156.0
1761.398193359375	168.0
1797.879150390625	220.0
1843.670654296875	164.0
1850.6678466796875	204.0
1908.774169921875	208.0
1912.3497314453125	156.0
1924.6204833984375	208.0
1963.0404052734375	184.0
1968.6868896484375	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078965
PEPMASS=307.692749
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=22.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Indinavir Sulfate [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]4[C@H](O)Cc5ccccc45
INCHI=InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1
INCHIAUX=CBVCZFGXHXORBI-PXQQMZJSSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078965
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078965
SCANS=1103
44.8954963684082	176.0
45.27235794067383	228.0
45.44180679321289	184.0
45.45869445800781	168.0
45.47480010986328	188.0
45.63331604003906	156.0
46.43137741088867	200.0
46.47614288330078	336.0
46.51007080078125	264.0
46.65950012207031	164.0
46.818702697753906	228.0
47.37461853027344	244.0
47.607791900634766	180.0
47.770729064941406	140.0
47.78786087036133	176.0
47.9351921081543	172.0
48.07309341430664	188.0
48.51847457885742	160.0
48.661373138427734	200.0
48.779457092285156	164.0
49.08951950073242	212.0
49.194580078125	156.0
49.773040771484375	172.0
49.869747161865234	164.0
50.18735885620117	156.0
50.23320388793945	164.0
50.314884185791016	176.0
50.46323013305664	176.0
50.56649398803711	224.0
50.67694854736328	152.0
50.70698547363281	204.0
50.84569549560547	148.0
51.040313720703125	188.0
51.05595779418945	140.0
51.68791198730469	180.0
51.72941589355469	176.0
51.77451705932617	164.0
51.990047454833984	128.0
52.26042556762695	148.0
52.45879364013672	168.0
52.495216369628906	156.0
52.573116302490234	152.0
52.714637756347656	184.0
53.45273971557617	212.0
53.9559440612793	232.0
54.03092956542969	160.0
54.21208953857422	156.0
54.24433517456055	144.0
54.46590805053711	220.0
54.78659439086914	160.0
54.90746307373047	188.0
55.356719970703125	144.0
55.582035064697266	172.0
55.648826599121094	160.0
55.871761322021484	160.0
56.063838958740234	168.0
56.08023452758789	164.0
56.248783111572266	180.0
56.398155212402344	212.0
56.45347213745117	140.0
56.83395004272461	184.0
56.94954299926758	160.0
57.00737380981445	132.0
57.09550094604492	176.0
57.20215606689453	184.0
57.29401779174805	140.0
57.33771514892578	200.0
57.81040573120117	160.0
57.937591552734375	184.0
58.05885314941406	160.0
58.107391357421875	152.0
58.14836120605469	176.0
58.18869400024414	232.0
58.39905548095703	200.0
58.455345153808594	236.0
58.61980438232422	172.0
59.151302337646484	244.0
59.18345260620117	196.0
59.748260498046875	140.0
59.76364517211914	140.0
60.053260803222656	152.0
60.24337387084961	172.0
60.38533020019531	172.0
60.57416534423828	164.0
60.80674362182617	156.0
60.871944427490234	236.0
61.230403900146484	216.0
61.371429443359375	188.0
61.40729904174805	172.0
61.42445373535156	144.0
61.45097732543945	160.0
61.510276794433594	168.0
61.966922760009766	148.0
62.08292007446289	144.0
62.681846618652344	148.0
62.70863723754883	156.0
62.84109878540039	204.0
62.91527557373047	148.0
63.35966873168945	156.0
63.488059997558594	140.0
63.509437561035156	196.0
63.557857513427734	156.0
64.0459213256836	216.0
64.56803894042969	152.0
64.81114959716797	228.0
64.91694641113281	160.0
64.97148132324219	184.0
65.23323822021484	160.0
65.45835876464844	152.0
65.60832977294922	152.0
65.64863586425781	148.0
65.66637420654297	204.0
65.67766571044922	192.0
65.99742126464844	160.0
66.13169860839844	144.0
66.27603912353516	180.0
66.31796264648438	152.0
66.38604736328125	140.0
66.63114929199219	216.0
66.68639373779297	236.0
66.803466796875	224.0
67.07704162597656	164.0
67.2042465209961	220.0
67.26789855957031	160.0
67.36097717285156	168.0
67.53914642333984	232.0
67.55223083496094	236.0
67.62913513183594	156.0
67.76997375488281	148.0
67.8338851928711	232.0
68.25582885742188	176.0
68.43517303466797	200.0
68.66637420654297	204.0
69.11190032958984	144.0
69.2955093383789	188.0
69.61083221435547	140.0
69.83982849121094	188.0
69.87511444091797	176.0
70.20992279052734	164.0
70.34271240234375	192.0
70.71781921386719	220.0
70.92216491699219	168.0
71.13351440429688	196.0
71.14694213867188	184.0
71.18922424316406	240.0
71.21914672851562	160.0
71.24602508544922	172.0
71.52685546875	168.0
71.54378509521484	140.0
71.94153594970703	156.0
71.99736022949219	196.0
72.01414489746094	184.0
72.10031127929688	176.0
72.2220458984375	188.0
72.2355728149414	156.0
72.47428894042969	240.0
72.52682495117188	164.0
72.75922393798828	156.0
72.85432434082031	144.0
73.36827087402344	160.0
73.50130462646484	156.0
73.57810974121094	172.0
73.69766235351562	208.0
74.46683502197266	144.0
74.50462341308594	144.0
74.59054565429688	164.0
75.43865966796875	212.0
75.4628677368164	236.0
75.53031158447266	200.0
76.10393524169922	232.0
76.40536499023438	212.0
76.5038070678711	196.0
76.52295684814453	168.0
76.61177825927734	248.0
76.7581787109375	176.0
76.81922149658203	176.0
76.92741394042969	156.0
76.99376678466797	168.0
77.21746826171875	184.0
77.36444854736328	164.0
77.38020324707031	152.0
77.4327392578125	140.0
77.69723510742188	152.0
77.71847534179688	144.0
77.94498443603516	220.0
77.99243927001953	164.0
78.11552429199219	188.0
78.1771011352539	152.0
78.22638702392578	156.0
78.30914306640625	168.0
78.60002136230469	152.0
78.65296936035156	220.0
78.69225311279297	172.0
78.73065185546875	172.0
78.98516082763672	140.0
79.00992584228516	156.0
80.05542755126953	144.0
80.06962585449219	144.0
80.21751403808594	148.0
80.34056091308594	192.0
80.48100280761719	196.0
80.70490264892578	172.0
81.00735473632812	152.0
81.20990753173828	148.0
81.35345458984375	184.0
81.56722259521484	172.0
82.62397003173828	216.0
82.68006896972656	148.0
82.96263122558594	152.0
83.4582748413086	160.0
83.48736572265625	152.0
83.77130126953125	200.0
83.87881469726562	176.0
84.18167877197266	164.0
84.41374969482422	156.0
84.44667053222656	180.0
84.50748443603516	180.0
84.65164184570312	164.0
84.74872589111328	164.0
84.81780242919922	176.0
85.17800903320312	216.0
85.3893814086914	188.0
86.22455596923828	208.0
86.35767364501953	172.0
86.5001449584961	160.0
86.65385437011719	148.0
86.70203399658203	212.0
86.83366394042969	236.0
87.05821990966797	152.0
87.29794311523438	184.0
87.31468200683594	148.0
87.35002136230469	204.0
87.54544830322266	184.0
87.64044952392578	172.0
87.7410888671875	204.0
88.05831146240234	192.0
88.22274780273438	160.0
88.4827880859375	200.0
88.6344985961914	140.0
88.68321990966797	228.0
88.78141784667969	192.0
89.5009994506836	220.0
89.53619384765625	172.0
90.1833267211914	172.0
90.21924591064453	172.0
90.4708480834961	148.0
90.73607635498047	184.0
90.86314392089844	184.0
91.05428314208984	1328.0
91.07462310791016	184.0
91.16694641113281	156.0
91.30763244628906	188.0
91.64456176757812	144.0
92.04994201660156	476.0
92.25528717041016	152.0
92.52120208740234	140.0
92.58055877685547	156.0
93.0591812133789	368.0
93.3270034790039	176.0
93.5174560546875	212.0
93.71763610839844	164.0
94.06443786621094	1048.0
94.10347747802734	148.0
94.22708892822266	220.0
94.56265258789062	204.0
94.60420227050781	152.0
94.63711547851562	152.0
95.06991577148438	172.0
95.14313507080078	168.0
95.5181884765625	216.0
95.56681823730469	184.0
95.63687896728516	240.0
95.85783386230469	220.0
96.37989044189453	172.0
96.57538604736328	176.0
96.81806945800781	188.0
96.83765411376953	160.0
96.90621948242188	172.0
96.92973327636719	152.0
97.07643127441406	14996.0
97.2090835571289	184.0
97.23565673828125	172.0
97.36915588378906	160.0
97.78595733642578	172.0
98.01636505126953	212.0
98.0804672241211	768.0
98.48279571533203	176.0
98.80217742919922	204.0
98.93476867675781	244.0
98.95258331298828	168.0
100.05245971679688	240.0
100.44702911376953	144.0
100.53282165527344	156.0
100.56275939941406	192.0
100.59469604492188	216.0
101.14167785644531	192.0
101.73976135253906	228.0
101.942626953125	156.0
102.21311950683594	120.0
102.90544128417969	164.0
103.05435180664062	2592.0
103.2678451538086	164.0
103.40069580078125	172.0
103.49786376953125	172.0
103.87887573242188	156.0
104.0580062866211	480.0
104.09603881835938	224.0
104.23823547363281	180.0
104.31749725341797	160.0
104.85688781738281	156.0
105.03427124023438	180.0
105.07054138183594	13916.0
105.10559844970703	204.0
105.25468444824219	168.0
106.07201385498047	1264.0
106.33763122558594	232.0
106.56761932373047	144.0
106.74439239501953	200.0
107.04894256591797	152.0
107.06541442871094	144.0
107.2281723022461	176.0
107.57124328613281	924.0
107.78429412841797	256.0
108.03966522216797	156.0
108.07088470458984	304.0
108.1741714477539	164.0
108.57820892333984	176.0
108.89574432373047	144.0
108.9289779663086	144.0
109.08746337890625	196.0
109.18047332763672	192.0
109.49264526367188	140.0
110.14546966552734	188.0
110.47993469238281	144.0
110.93335723876953	200.0
111.19026184082031	164.0
111.20914459228516	152.0
111.35709381103516	164.0
111.60408782958984	152.0
111.81233978271484	188.0
111.98287963867188	172.0
112.00604248046875	156.0
112.07556915283203	160.0
112.1145248413086	312.0
112.6135025024414	172.0
113.14849853515625	152.0
113.58846282958984	152.0
113.95018005371094	156.0
114.23930358886719	144.0
114.4095458984375	212.0
114.614013671875	152.0
115.05502319335938	4412.0
115.16654205322266	160.0
115.6989974975586	216.0
115.8488998413086	248.0
115.89817810058594	140.0
116.05717468261719	832.0
116.1806869506836	224.0
116.32281494140625	148.0
116.36866760253906	168.0
116.89973449707031	196.0
116.98059844970703	164.0
117.07105255126953	416.0
117.20243072509766	144.0
117.55390930175781	152.0
117.7136459350586	144.0
117.88861846923828	164.0
118.0716323852539	192.0
118.14681243896484	188.0
119.09101867675781	168.0
119.9258804321289	136.0
120.09658813476562	176.0
120.18603515625	204.0
121.074462890625	764.0
121.14362335205078	192.0
121.3631591796875	188.0
121.50973510742188	212.0
121.82586669921875	224.0
121.93572998046875	168.0
121.96649932861328	140.0
122.08290100097656	196.0
123.05033874511719	224.0
123.0920639038086	520.0
123.80877685546875	240.0
123.94168853759766	168.0
123.9926528930664	152.0
124.10127258300781	212.0
124.15449523925781	184.0
124.22990417480469	176.0
124.46041870117188	148.0
124.79177856445312	148.0
124.8896255493164	140.0
125.02311706542969	236.0
125.10562133789062	176.0
125.29254150390625	160.0
125.59793090820312	188.0
126.14054107666016	180.0
126.49172973632812	144.0
126.5611343383789	168.0
126.9398193359375	200.0
127.01020812988281	196.0
127.0401840209961	192.0
127.11478424072266	220.0
127.41790008544922	176.0
128.0824432373047	420.0
128.3203887939453	164.0
128.49179077148438	140.0
128.56851196289062	152.0
128.84190368652344	152.0
128.89820861816406	176.0
129.0689697265625	440.0
129.3505401611328	176.0
129.53848266601562	236.0
129.58152770996094	176.0
130.08224487304688	1892.0
130.20986938476562	244.0
130.23484802246094	144.0
130.35525512695312	168.0
130.3825225830078	152.0
130.56668090820312	160.0
130.58348083496094	268.0
130.66818237304688	112.0
130.71226501464844	152.0
131.04644775390625	268.0
131.07179260253906	180.0
131.3912353515625	164.0
131.4482879638672	160.0
131.5509796142578	148.0
132.0812530517578	2740.0
132.39468383789062	172.0
132.51150512695312	168.0
132.5302734375	132.0
132.6043701171875	184.0
132.74758911132812	144.0
132.76364135742188	180.0
132.87193298339844	132.0
132.91346740722656	140.0
132.9593505859375	212.0
132.98179626464844	176.0
133.00270080566406	140.0
133.037109375	652.0
133.0658416748047	206692.0
133.12429809570312	328.0
133.150146484375	96.0
133.2198028564453	144.0
133.26087951660156	120.0
133.3049774169922	180.0
133.33181762695312	244.0
133.3897705078125	124.0
133.4210205078125	188.0
133.44288635253906	2452.0
133.5420684814453	112.0
133.63217163085938	208.0
133.669921875	180.0
133.6923828125	112.0
133.7420196533203	144.0
133.91464233398438	180.0
133.9696502685547	172.0
134.0191192626953	100.0
134.0406951904297	224.0
134.06878662109375	25124.0
134.1132049560547	156.0
134.148193359375	132.0
134.31748962402344	168.0
134.88311767578125	188.0
134.92172241210938	156.0
134.94467163085938	136.0
134.9653778076172	180.0
134.9971466064453	128.0
135.0352325439453	140.0
135.07179260253906	1148.0
135.1293182373047	244.0
135.16819763183594	112.0
135.1985321044922	216.0
135.23001098632812	120.0
135.25355529785156	120.0
135.89773559570312	116.0
136.0357666015625	132.0
136.08184814453125	200.0
136.28392028808594	176.0
137.10533142089844	192.0
137.86932373046875	152.0
139.8431854248047	152.0
141.0697479248047	192.0
141.4813690185547	184.0
142.07620239257812	152.0
142.89100646972656	124.0
143.0871124267578	1616.0
143.12196350097656	204.0
143.55393981933594	240.0
143.6928253173828	108.0
143.8109130859375	140.0
144.0881805419922	312.0
144.739013671875	124.0
145.06422424316406	1960.0
145.0962677001953	168.0
145.2172393798828	144.0
146.066650390625	400.0
146.10389709472656	184.0
146.98353576660156	164.0
147.0916290283203	1140.0
147.35536193847656	204.0
148.08779907226562	176.0
148.3787078857422	120.0
148.50035095214844	160.0
148.7259979248047	196.0
150.09136962890625	1608.0
150.7761688232422	136.0
151.0755615234375	1552.0
151.22901916503906	104.0
151.2634735107422	172.0
152.0764923095703	316.0
152.10916137695312	152.0
153.06678771972656	108.0
153.1443328857422	252.0
153.57566833496094	156.0
154.02488708496094	152.0
154.6034393310547	188.0
155.1136474609375	188.0
155.20040893554688	144.0
155.2698516845703	168.0
155.65200805664062	160.0
156.076904296875	148.0
157.06568908691406	344.0
158.07994079589844	176.0
158.11282348632812	1300.0
158.61082458496094	152.0
158.86415100097656	144.0
159.09361267089844	196.0
159.3509063720703	176.0
159.6000213623047	180.0
159.91195678710938	224.0
160.33506774902344	220.0
160.49388122558594	144.0
161.16275024414062	148.0
162.79148864746094	164.0
163.08111572265625	172.0
163.56947326660156	164.0
165.13612365722656	196.0
166.10116577148438	120.0
167.1014862060547	288.0
167.14224243164062	152.0
168.11114501953125	224.0
168.28924560546875	152.0
170.7198028564453	168.0
171.08128356933594	760.0
172.11390686035156	156.0
173.09286499023438	208.0
173.1206512451172	184.0
173.37738037109375	204.0
173.59759521484375	148.0
174.10275268554688	16296.0
174.4324951171875	292.0
175.07276916503906	380.0
175.10963439941406	5252.0
175.17755126953125	148.0
175.2605743408203	132.0
175.29808044433594	204.0
175.8442840576172	152.0
176.0781707763672	208.0
176.11843872070312	17732.0
176.25625610351562	144.0
176.8759765625	156.0
176.9439239501953	156.0
177.12063598632812	1944.0
178.12367248535156	164.0
178.33969116210938	96.0
178.71829223632812	180.0
179.3080291748047	160.0
179.37200927734375	244.0
179.49197387695312	176.0
180.10845947265625	156.0
180.9695587158203	200.0
181.5314178466797	264.0
182.60610961914062	572.0
182.95628356933594	152.0
183.1004180908203	168.0
183.70545959472656	172.0
183.78369140625	144.0
184.10906982421875	148.0
184.14385986328125	784.0
185.07568359375	184.0
185.1492919921875	308.0
185.49560546875	152.0
186.12258911132812	164.0
188.10874938964844	1252.0
188.16160583496094	164.0
188.18890380859375	248.0
189.0875701904297	260.0
189.11578369140625	272.0
189.18679809570312	140.0
189.84437561035156	160.0
190.1232452392578	168.0
191.11068725585938	140.0
191.56768798828125	300.0
192.1014404296875	428.0
192.29562377929688	148.0
193.0719451904297	152.0
194.93063354492188	136.0
195.9253692626953	180.0
196.10926818847656	140.0
196.6112823486328	172.0
196.8644561767578	264.0
197.83628845214844	148.0
198.42945861816406	224.0
200.8930206298828	164.0
201.13058471679688	408.0
201.30792236328125	184.0
201.78260803222656	176.0
202.11888122558594	172.0
202.16363525390625	136.0
204.10873413085938	284.0
204.62005615234375	276.0
205.114013671875	1316.0
205.61920166015625	388.0
206.11679077148438	2596.0
207.1231689453125	616.0
207.45083618164062	164.0
207.74620056152344	156.0
208.34619140625	144.0
208.5645751953125	200.0
209.44793701171875	164.0
210.63345336914062	140.0
211.41407775878906	140.0
211.48643493652344	200.0
212.8693084716797	152.0
213.30511474609375	156.0
214.13525390625	1852.0
214.42861938476562	164.0
215.14141845703125	1016.0
215.18704223632812	148.0
216.0989227294922	252.0
216.14633178710938	328.0
216.7987518310547	140.0
217.1426239013672	188.0
220.06631469726562	128.0
221.13966369628906	2180.0
221.7013702392578	172.0
222.14329528808594	420.0
223.0500030517578	140.0
223.16612243652344	480.0
224.1817626953125	180.0
224.27633666992188	172.0
224.59835815429688	168.0
225.13986206054688	168.0
226.4784393310547	168.0
226.51138305664062	160.0
227.1534423828125	520.0
227.5189666748047	216.0
227.9635009765625	332.0
228.10189819335938	168.0
228.15928649902344	292.0
230.14735412597656	212.0
230.53097534179688	236.0
231.15390014648438	160.0
231.7504119873047	140.0
232.1438446044922	160.0
232.34767150878906	144.0
232.65576171875	4040.0
232.73008728027344	184.0
233.02166748046875	160.0
233.0611572265625	196.0
233.08851623535156	164.0
233.1097869873047	140.0
233.14781188964844	2564.0
233.64939880371094	832.0
233.7422637939453	164.0
234.15541076660156	312.0
234.34710693359375	168.0
234.6224822998047	148.0
234.81153869628906	148.0
235.2936553955078	160.0
235.67543029785156	220.0
238.8260040283203	112.0
238.9683837890625	156.0
239.84913635253906	224.0
240.1451416015625	140.0
240.31788635253906	152.0
240.3826904296875	176.0
241.13780212402344	108.0
241.49176025390625	180.0
241.65960693359375	4192.0
242.01068115234375	204.0
242.12351989746094	252.0
242.16207885742188	1024.0
242.66561889648438	324.0
243.1480255126953	248.0
243.4535369873047	144.0
244.01283264160156	216.0
244.1347198486328	1256.0
245.13626098632812	132.0
246.14865112304688	304.0
247.14918518066406	272.0
247.6232147216797	168.0
248.1590576171875	340.0
252.23590087890625	144.0
252.4287567138672	184.0
252.45721435546875	156.0
253.05841064453125	220.0
253.13587951660156	264.0
254.1360321044922	316.0
255.02520751953125	140.0
255.1475067138672	124.0
255.61036682128906	164.0
255.7535858154297	220.0
256.0496826171875	244.0
256.1468200683594	144.0
256.77313232421875	168.0
257.146728515625	232.0
257.6454772949219	136.0
257.92254638671875	180.0
258.1143798828125	148.0
258.1411437988281	140.0
258.28387451171875	164.0
259.1566162109375	1872.0
260.16156005859375	456.0
261.1540222167969	176.0
261.195556640625	260.0
262.0946044921875	152.0
262.1751403808594	212.0
262.7587890625	156.0
264.8794250488281	176.0
265.0349426269531	148.0
265.9332275390625	148.0
266.037109375	148.0
266.2449035644531	248.0
266.2741394042969	152.0
268.6045837402344	156.0
269.07122802734375	188.0
270.1607666015625	324.0
270.6505126953125	356.0
270.83709716796875	180.0
271.14617919921875	3204.0
271.22515869140625	212.0
271.45977783203125	212.0
271.6485290527344	200.0
271.70489501953125	184.0
272.0973815917969	220.0
272.15203857421875	22684.0
272.4794006347656	112.0
272.5140380859375	128.0
272.6448669433594	172.0
272.89935302734375	208.0
273.1556701660156	5220.0
273.4057312011719	132.0
273.6862487792969	152.0
273.93792724609375	184.0
274.01129150390625	168.0
274.1601867675781	800.0
274.2188720703125	104.0
274.4907531738281	132.0
274.53631591796875	208.0
275.0653991699219	96.0
275.784912109375	168.0
276.26251220703125	108.0
276.2987365722656	176.0
276.5935363769531	216.0
277.202880859375	27768.0
277.2886962890625	176.0
277.5148620605469	220.0
277.69769287109375	112.0
277.781005859375	104.0
278.2049560546875	3888.0
279.01055908203125	96.0
279.2030334472656	652.0
279.3919677734375	100.0
279.5765686035156	144.0
279.6270751953125	132.0
279.66156005859375	208.0
280.12420654296875	116.0
280.2197265625	104.0
280.3158264160156	140.0
280.3924865722656	152.0
281.124755859375	220.0
283.1295166015625	132.0
284.2717590332031	164.0
284.8631286621094	116.0
284.9164123535156	152.0
285.1549987792969	180.0
286.39471435546875	112.0
286.7780456542969	100.0
287.2054443359375	196.0
287.909912109375	132.0
288.00201416015625	144.0
288.1675720214844	808.0
288.4271240234375	108.0
288.5791931152344	212.0
288.66339111328125	156.0
288.6948547363281	252.0
288.80859375	140.0
288.9888916015625	164.0
289.08935546875	116.0
289.1795654296875	129608.0
289.30194091796875	272.0
289.3399963378906	128.0
289.3580627441406	148.0
289.3937072753906	180.0
289.53363037109375	180.0
289.5770263671875	228.0
289.68328857421875	220.0
289.7261657714844	172.0
289.8815612792969	196.0
289.9510803222656	112.0
290.0013122558594	152.0
290.0395812988281	284.0
290.1107482910156	152.0
290.18194580078125	15864.0
290.3230895996094	240.0
290.4806823730469	176.0
290.6789245605469	280.0
291.0804748535156	184.0
291.1832580566406	2036.0
291.6938781738281	160.0
291.81011962890625	116.0
291.8435974121094	156.0
291.9212646484375	112.0
292.0088806152344	176.0
292.0390319824219	160.0
292.0979919433594	112.0
292.18585205078125	372.0
292.2694091796875	96.0
292.4390563964844	108.0
292.8795471191406	140.0
293.97735595703125	148.0
294.0375671386719	148.0
294.0763244628906	172.0
294.1991882324219	152.0
296.0640563964844	116.0
297.3860168457031	168.0
297.6400451660156	148.0
298.15557861328125	152.0
298.28143310546875	128.0
298.68402099609375	8520.0
299.18408203125	3816.0
299.38555908203125	168.0
299.685546875	520.0
300.1481018066406	144.0
300.1829528808594	200.0
302.5481262207031	168.0
302.9306335449219	152.0
303.0865478515625	156.0
303.9533996582031	164.0
305.1238708496094	160.0
305.1759033203125	220.0
305.82025146484375	104.0
305.93719482421875	128.0
306.0613098144531	192.0
306.6483154296875	128.0
306.9239196777344	156.0
307.08782958984375	164.0
307.14013671875	148.0
307.3533020019531	120.0
307.47857666015625	188.0
307.68890380859375	14612.0
307.802734375	192.0
307.90960693359375	112.0
307.9690246582031	160.0
308.0442199707031	144.0
308.105712890625	120.0
308.1899719238281	7560.0
308.2325134277344	212.0
308.29205322265625	124.0
308.4646301269531	172.0
308.54180908203125	112.0
308.69049072265625	808.0
309.1019592285156	148.0
309.15411376953125	116.0
309.1644287109375	176.0
309.1917724609375	400.0
309.31097412109375	136.0
309.69171142578125	156.0
309.8668518066406	148.0
310.0010070800781	224.0
310.2803955078125	172.0
310.547119140625	132.0
310.74334716796875	140.0
311.6510009765625	108.0
315.2170715332031	1552.0
315.9739685058594	144.0
316.16534423828125	344.0
316.2197265625	440.0
317.16156005859375	140.0
317.2200927734375	240.0
320.1707458496094	128.0
320.2069091796875	148.0
320.9120178222656	168.0
321.6968994140625	160.0
321.928955078125	208.0
323.1585693359375	144.0
323.28143310546875	156.0
324.97509765625	144.0
327.2538146972656	140.0
329.150390625	144.0
329.8910217285156	160.0
330.1441345214844	168.0
332.2666931152344	204.0
332.8328857421875	144.0
333.2070007324219	160.0
334.1922607421875	260.0
335.17230224609375	124.0
336.2084655761719	120.0
338.0381774902344	180.0
338.1759338378906	1040.0
339.1846008300781	152.0
340.9756164550781	148.0
341.2329406738281	148.0
342.2189636230469	168.0
346.1809997558594	144.0
346.50323486328125	164.0
347.19390869140625	160.0
348.1872863769531	164.0
348.5327453613281	196.0
349.3730163574219	144.0
350.3185729980469	156.0
352.9111633300781	128.0
354.1173095703125	216.0
358.8294982910156	164.0
359.1500549316406	160.0
362.18829345703125	128.0
363.16583251953125	112.0
363.2171630859375	1548.0
363.5083312988281	152.0
364.2021789550781	21688.0
364.31005859375	108.0
365.2054138183594	5820.0
365.2821044921875	216.0
366.2085266113281	1604.0
366.8597106933594	100.0
367.20849609375	184.0
367.32293701171875	108.0
367.432861328125	108.0
368.5498352050781	140.0
369.86224365234375	112.0
371.2457580566406	148.0
371.3711853027344	140.0
372.22186279296875	412.0
373.2496032714844	360.0
374.0647277832031	172.0
375.6986389160156	208.0
376.58258056640625	152.0
376.652099609375	152.0
376.89935302734375	156.0
379.0675964355469	104.0
379.8126525878906	160.0
380.43536376953125	140.0
381.0023498535156	152.0
381.22930908203125	17796.0
382.2304382324219	3576.0
382.83978271484375	100.0
383.1342468261719	248.0
383.2361145019531	792.0
384.2444763183594	236.0
384.6449890136719	108.0
385.9521484375	164.0
386.44189453125	204.0
389.2496643066406	360.0
390.2252197265625	152.0
390.2690124511719	148.0
391.2078552246094	112.0
392.1983642578125	228.0
393.14068603515625	164.0
396.8787841796875	140.0
397.017578125	148.0
399.6282043457031	176.0
399.8819885253906	140.0
403.6239318847656	176.0
403.99188232421875	180.0
404.23193359375	148.0
405.22894287109375	156.0
405.3811950683594	168.0
407.6404113769531	160.0
408.24163818359375	560.0
409.1446838378906	172.0
409.2236022949219	7932.0
409.7193908691406	108.0
410.2242736816406	1776.0
411.2283935546875	276.0
412.2383117675781	164.0
412.5024108886719	116.0
413.64984130859375	180.0
414.89752197265625	160.0
416.5126037597656	152.0
418.3616638183594	124.0
419.2833557128906	168.0
421.1478576660156	232.0
421.23626708984375	164.0
422.23431396484375	272.0
423.2372741699219	204.0
425.9936218261719	188.0
426.2481994628906	704.0
427.25604248046875	248.0
428.25250244140625	124.0
429.0677185058594	140.0
432.5501708984375	184.0
432.9393615722656	164.0
435.6976318359375	172.0
436.0300598144531	168.0
437.0987854003906	164.0
439.51556396484375	152.0
441.5290222167969	168.0
441.9264221191406	176.0
444.9818115234375	276.0
447.0750732421875	148.0
448.94549560546875	148.0
452.49908447265625	192.0
453.261474609375	320.0
453.8082580566406	140.0
454.0669250488281	144.0
455.05987548828125	160.0
457.83074951171875	112.0
458.765380859375	144.0
459.2322998046875	112.0
459.4434509277344	140.0
460.4744567871094	100.0
460.8138732910156	192.0
461.34381103515625	160.0
462.8583679199219	152.0
463.3209533691406	220.0
463.664306640625	148.0
463.8567199707031	152.0
464.2035217285156	96.0
464.30157470703125	15636.0
464.45318603515625	108.0
464.54913330078125	120.0
464.8830871582031	96.0
464.9388427734375	124.0
464.98895263671875	140.0
465.04473876953125	240.0
465.1507568359375	148.0
465.19720458984375	116.0
465.2269592285156	176.0
465.2879333496094	32580.0
465.4029846191406	168.0
465.46368408203125	244.0
465.5007629394531	200.0
465.6329345703125	104.0
465.7102355957031	212.0
465.78955078125	136.0
466.04400634765625	144.0
466.21917724609375	148.0
466.2908935546875	8900.0
466.4136962890625	144.0
466.5352783203125	180.0
466.80181884765625	144.0
467.0743408203125	128.0
467.295166015625	1244.0
467.4844970703125	164.0
467.6217346191406	116.0
468.2918701171875	284.0
468.758056640625	116.0
468.9961853027344	140.0
469.2618103027344	104.0
469.3558349609375	156.0
469.8167724609375	144.0
469.879638671875	112.0
470.55908203125	160.0
471.6476745605469	180.0
474.78662109375	148.0
475.1336364746094	140.0
477.6600341796875	140.0
478.21014404296875	184.0
478.406005859375	160.0
478.7630310058594	144.0
478.9895324707031	168.0
479.3891296386719	144.0
479.4904479980469	140.0
479.9251708984375	128.0
479.971435546875	156.0
480.19024658203125	148.0
480.3102722167969	148.0
480.4498596191406	140.0
480.6183776855469	192.0
480.6678161621094	180.0
480.7093200683594	260.0
480.8196716308594	128.0
480.8721923828125	192.0
480.9806213378906	168.0
481.135498046875	180.0
481.1780700683594	248.0
481.18841552734375	172.0
481.2418518066406	172.0
481.29364013671875	352.0
481.3459777832031	212.0
481.4184875488281	192.0
481.4947814941406	136.0
481.597900390625	124.0
481.643310546875	188.0
481.71728515625	120.0
481.75323486328125	136.0
481.7871398925781	252.0
481.89373779296875	364.0
481.9797058105469	156.0
482.04742431640625	284.0
482.1059265136719	160.0
482.2258605957031	692.0
482.314453125	166980.0
482.4810485839844	464.0
482.5587158203125	168.0
482.6536560058594	196.0
482.72174072265625	152.0
482.7928161621094	220.0
482.87591552734375	160.0
482.9751892089844	336.0
483.0364990234375	2048.0
483.0900573730469	428.0
483.14349365234375	260.0
483.1936950683594	432.0
483.23260498046875	284.0
483.2526550292969	224.0
483.31622314453125	69604.0
483.44659423828125	280.0
483.5533752441406	104.0
483.60443115234375	96.0
483.63818359375	128.0
483.7114562988281	96.0
483.7391357421875	268.0
483.7902526855469	184.0
484.02813720703125	148.0
484.075439453125	276.0
484.1239013671875	144.0
484.21234130859375	124.0
484.2602233886719	108.0
484.31683349609375	7416.0
484.4306335449219	380.0
484.48663330078125	252.0
484.54400634765625	180.0
484.9201965332031	104.0
485.0948181152344	96.0
485.1784362792969	144.0
485.2171325683594	100.0
485.31793212890625	1140.0
485.4683532714844	204.0
485.5895080566406	180.0
485.66845703125	124.0
485.7229309082031	168.0
485.7550964355469	248.0
485.8013916015625	200.0
485.8772277832031	140.0
485.957763671875	152.0
486.0252990722656	176.0
486.0931396484375	160.0
486.1694641113281	340.0
486.29730224609375	216.0
486.355224609375	188.0
486.62640380859375	220.0
486.66192626953125	168.0
487.0041809082031	232.0
487.15032958984375	220.0
487.3135986328125	152.0
487.35125732421875	220.0
487.4421081542969	164.0
487.476806640625	100.0
487.5871887207031	128.0
487.7558898925781	120.0
487.9179382324219	132.0
488.2963562011719	200.0
490.8843994140625	144.0
492.92706298828125	116.0
493.2471923828125	228.0
495.2732238769531	196.0
497.3056640625	124.0
513.2838134765625	276.0
514.03271484375	148.0
514.2749633789062	148.0
523.2719116210938	140.0
540.306640625	176.0
541.2775268554688	312.0
542.271484375	100.0
558.308349609375	432.0
559.3074340820312	96.0
614.3624267578125	156.0
615.3807983398438	152.0
705.0220336914062	148.0
722.6227416992188	196.0
748.2869262695312	140.0
924.0250854492188	160.0
941.6900634765625	140.0
966.544921875	236.0
982.5064086914062	184.0
1004.3238525390625	184.0
1045.3994140625	184.0
1056.1995849609375	168.0
1067.9461669921875	160.0
1076.3790283203125	144.0
1096.650634765625	196.0
1104.2896728515625	160.0
1112.95751953125	168.0
1122.446044921875	144.0
1135.654052734375	204.0
1136.606689453125	152.0
1141.315185546875	196.0
1143.68994140625	152.0
1149.0810546875	164.0
1152.73388671875	180.0
1192.2255859375	140.0
1194.7421875	176.0
1194.8470458984375	100.0
1200.934814453125	220.0
1205.4913330078125	192.0
1206.85302734375	152.0
1211.65625	220.0
1219.5809326171875	240.0
1225.97998046875	188.0
1228.2357177734375	180.0
1233.9481201171875	176.0
1241.4122314453125	156.0
1242.246826171875	140.0
1242.969482421875	140.0
1255.124267578125	184.0
1258.3486328125	156.0
1260.361572265625	252.0
1266.849365234375	144.0
1269.1810302734375	184.0
1272.1395263671875	196.0
1274.2060546875	156.0
1280.4088134765625	204.0
1283.4801025390625	196.0
1284.8138427734375	200.0
1285.498779296875	200.0
1290.6846923828125	280.0
1295.401123046875	184.0
1298.045654296875	208.0
1298.504638671875	180.0
1298.6480712890625	144.0
1303.90283203125	148.0
1312.3978271484375	140.0
1313.328125	228.0
1314.67724609375	140.0
1315.43505859375	140.0
1315.73828125	140.0
1317.905029296875	148.0
1318.9962158203125	184.0
1319.3143310546875	196.0
1320.9847412109375	140.0
1321.9759521484375	164.0
1322.149658203125	276.0
1322.78662109375	160.0
1323.9088134765625	204.0
1329.853759765625	232.0
1330.5216064453125	152.0
1330.97900390625	204.0
1345.5845947265625	172.0
1346.1640625	224.0
1346.24169921875	228.0
1360.1890869140625	148.0
1363.7000732421875	196.0
1366.97265625	264.0
1369.173828125	156.0
1374.23046875	192.0
1379.1043701171875	228.0
1379.8436279296875	208.0
1385.64599609375	208.0
1387.4765625	164.0
1387.5950927734375	204.0
1403.1259765625	160.0
1405.9266357421875	172.0
1411.6678466796875	208.0
1413.56787109375	212.0
1416.982177734375	244.0
1421.6385498046875	148.0
1422.93701171875	196.0
1423.37255859375	204.0
1423.7630615234375	172.0
1433.911865234375	240.0
1434.26611328125	144.0
1439.1622314453125	188.0
1439.728515625	156.0
1440.7633056640625	164.0
1443.385986328125	172.0
1447.74462890625	220.0
1451.3819580078125	144.0
1452.3829345703125	140.0
1454.7353515625	176.0
1455.1300048828125	184.0
1462.6103515625	156.0
1472.629150390625	156.0
1474.2794189453125	180.0
1475.2119140625	204.0
1479.64892578125	144.0
1481.655517578125	164.0
1482.2684326171875	144.0
1483.77197265625	216.0
1485.4501953125	148.0
1487.9749755859375	140.0
1497.4793701171875	176.0
1498.935302734375	188.0
1502.0731201171875	176.0
1504.0098876953125	168.0
1505.229736328125	144.0
1506.4345703125	144.0
1507.6090087890625	156.0
1510.678466796875	260.0
1510.8951416015625	188.0
1515.3699951171875	184.0
1515.8038330078125	172.0
1516.9354248046875	156.0
1517.74951171875	192.0
1524.8369140625	152.0
1530.912109375	196.0
1533.9202880859375	240.0
1537.117919921875	172.0
1540.37353515625	140.0
1540.77978515625	176.0
1541.49853515625	156.0
1542.4910888671875	224.0
1545.3533935546875	156.0
1546.84814453125	196.0
1548.069580078125	172.0
1548.58642578125	192.0
1551.7130126953125	168.0
1552.8265380859375	188.0
1557.630126953125	204.0
1559.8021240234375	200.0
1561.442138671875	240.0
1562.024169921875	156.0
1562.40966796875	204.0
1562.7401123046875	156.0
1563.9755859375	168.0
1564.2196044921875	160.0
1565.31396484375	144.0
1566.0306396484375	176.0
1569.3482666015625	204.0
1571.0675048828125	192.0
1571.280517578125	160.0
1573.8218994140625	208.0
1574.3668212890625	152.0
1575.6226806640625	140.0
1578.3336181640625	172.0
1581.925537109375	156.0
1582.846923828125	148.0
1583.8021240234375	180.0
1584.2457275390625	192.0
1587.590576171875	192.0
1589.4388427734375	340.0
1591.327880859375	168.0
1592.1298828125	144.0
1592.8685302734375	164.0
1595.4432373046875	184.0
1597.8370361328125	140.0
1598.56103515625	168.0
1601.116455078125	144.0
1604.295654296875	144.0
1605.3720703125	204.0
1607.7891845703125	140.0
1608.090087890625	216.0
1608.9945068359375	200.0
1614.124755859375	204.0
1618.8131103515625	152.0
1620.5772705078125	164.0
1623.06005859375	184.0
1623.228515625	160.0
1625.4102783203125	248.0
1625.6029052734375	168.0
1627.135986328125	192.0
1628.1396484375	176.0
1632.5460205078125	128.0
1633.589111328125	148.0
1638.3709716796875	140.0
1638.6610107421875	188.0
1640.1802978515625	148.0
1642.917724609375	336.0
1643.77294921875	196.0
1647.729248046875	144.0
1650.5904541015625	152.0
1651.4154052734375	188.0
1651.884521484375	188.0
1654.077392578125	240.0
1654.3607177734375	140.0
1654.43359375	220.0
1654.6602783203125	148.0
1656.6038818359375	192.0
1658.9954833984375	144.0
1659.0836181640625	144.0
1659.4322509765625	192.0
1661.4111328125	140.0
1661.6383056640625	144.0
1662.993408203125	140.0
1663.9188232421875	216.0
1664.21923828125	156.0
1664.9906005859375	168.0
1665.8841552734375	156.0
1666.225341796875	172.0
1670.607177734375	192.0
1671.2327880859375	156.0
1675.711669921875	164.0
1682.93798828125	192.0
1684.05517578125	212.0
1684.955322265625	172.0
1687.668701171875	196.0
1689.9833984375	216.0
1690.2288818359375	144.0
1691.472900390625	168.0
1691.73486328125	176.0
1693.1922607421875	184.0
1694.4210205078125	152.0
1699.373046875	184.0
1703.08349609375	168.0
1706.05810546875	144.0
1710.302734375	144.0
1712.1551513671875	224.0
1712.6246337890625	240.0
1713.052978515625	172.0
1715.731201171875	176.0
1716.34130859375	192.0
1716.4732666015625	148.0
1719.0303955078125	156.0
1719.98779296875	188.0
1720.5325927734375	156.0
1721.003173828125	144.0
1721.7877197265625	196.0
1722.88623046875	188.0
1727.4163818359375	180.0
1728.5911865234375	168.0
1729.5098876953125	140.0
1730.26318359375	160.0
1730.6026611328125	196.0
1731.0828857421875	212.0
1731.4058837890625	172.0
1731.5052490234375	148.0
1733.4437255859375	180.0
1733.5513916015625	156.0
1734.24755859375	204.0
1737.315673828125	180.0
1738.253173828125	176.0
1738.7178955078125	176.0
1744.9478759765625	168.0
1745.455078125	180.0
1746.78564453125	208.0
1748.299072265625	192.0
1748.3748779296875	152.0
1750.555908203125	148.0
1752.5050048828125	176.0
1752.6217041015625	176.0
1759.2437744140625	148.0
1760.4710693359375	144.0
1762.0498046875	140.0
1763.0440673828125	176.0
1763.411865234375	148.0
1764.02197265625	180.0
1766.9405517578125	164.0
1770.146240234375	200.0
1771.0089111328125	184.0
1772.3492431640625	172.0
1773.4051513671875	164.0
1773.648193359375	204.0
1774.5787353515625	148.0
1776.8209228515625	164.0
1778.4544677734375	184.0
1779.4869384765625	204.0
1785.1334228515625	144.0
1790.5343017578125	216.0
1790.788818359375	152.0
1791.8165283203125	200.0
1795.0538330078125	156.0
1796.2591552734375	152.0
1797.583740234375	148.0
1801.39990234375	152.0
1802.3968505859375	148.0
1804.0770263671875	156.0
1807.969482421875	192.0
1808.268310546875	172.0
1810.4879150390625	124.0
1810.966552734375	152.0
1811.356201171875	152.0
1813.8643798828125	192.0
1815.2886962890625	152.0
1816.31494140625	208.0
1816.959716796875	188.0
1818.5040283203125	152.0
1820.5670166015625	148.0
1820.90673828125	192.0
1824.1475830078125	200.0
1825.2322998046875	152.0
1825.840576171875	256.0
1828.0478515625	172.0
1829.0435791015625	164.0
1830.01416015625	156.0
1830.83154296875	192.0
1831.7088623046875	176.0
1831.8536376953125	192.0
1833.787841796875	140.0
1835.4501953125	160.0
1837.0279541015625	180.0
1838.78564453125	144.0
1839.767333984375	160.0
1840.62109375	240.0
1841.031005859375	144.0
1841.2017822265625	192.0
1843.45703125	188.0
1843.8331298828125	280.0
1844.0809326171875	152.0
1844.51220703125	132.0
1844.9185791015625	164.0
1847.03076171875	164.0
1848.579345703125	160.0
1851.0313720703125	132.0
1851.2330322265625	148.0
1852.329345703125	180.0
1852.817626953125	164.0
1855.6629638671875	180.0
1856.5546875	164.0
1857.3179931640625	148.0
1858.021484375	172.0
1859.4029541015625	188.0
1860.30419921875	196.0
1861.9957275390625	192.0
1862.9405517578125	176.0
1863.593505859375	144.0
1864.564453125	216.0
1866.6190185546875	180.0
1866.8082275390625	156.0
1868.2703857421875	148.0
1868.3651123046875	200.0
1870.4217529296875	164.0
1874.2255859375	172.0
1875.6588134765625	172.0
1875.7364501953125	148.0
1880.972412109375	184.0
1883.1568603515625	156.0
1885.6019287109375	180.0
1887.1146240234375	164.0
1888.377197265625	176.0
1892.1153564453125	192.0
1892.8773193359375	140.0
1893.85595703125	236.0
1896.8106689453125	212.0
1897.1746826171875	160.0
1899.1864013671875	156.0
1899.9063720703125	152.0
1901.025634765625	228.0
1901.8240966796875	232.0
1902.3101806640625	140.0
1906.4879150390625	176.0
1906.9920654296875	140.0
1907.4595947265625	180.0
1908.3046875	212.0
1909.16552734375	192.0
1910.1917724609375	156.0
1910.8616943359375	180.0
1912.10595703125	172.0
1913.0634765625	156.0
1914.0560302734375	156.0
1918.949462890625	180.0
1919.0660400390625	168.0
1920.7491455078125	196.0
1922.02294921875	184.0
1923.4891357421875	140.0
1923.6549072265625	184.0
1924.5279541015625	144.0
1926.9385986328125	196.0
1932.0792236328125	192.0
1933.28662109375	224.0
1933.4212646484375	156.0
1933.7418212890625	208.0
1934.5733642578125	160.0
1936.070556640625	164.0
1936.631103515625	152.0
1936.744873046875	192.0
1939.0579833984375	168.0
1940.1448974609375	232.0
1942.30322265625	152.0
1947.436767578125	168.0
1949.82080078125	140.0
1949.9407958984375	160.0
1953.818603515625	240.0
1954.09130859375	144.0
1955.935791015625	176.0
1958.2109375	152.0
1959.611572265625	168.0
1961.0126953125	148.0
1962.8111572265625	172.0
1963.78125	144.0
1969.47412109375	168.0
1970.5076904296875	208.0
1971.54150390625	188.0
1974.3350830078125	208.0
1974.662353515625	228.0
1975.5025634765625	140.0
1975.6795654296875	168.0
1978.7593994140625	168.0
1978.9276123046875	144.0
1980.123046875	156.0
1980.5311279296875	160.0
1981.602294921875	196.0
1981.664306640625	140.0
1982.470703125	160.0
1984.1058349609375	128.0
1986.265380859375	168.0
1989.7745361328125	128.0
1989.9659423828125	212.0
1990.623046875	140.0
1993.2257080078125	188.0
1994.2032470703125	172.0
1994.93212890625	168.0
1996.230224609375	204.0
1997.1322021484375	152.0
1997.9378662109375	200.0
1998.82763671875	156.0
2001.9788818359375	188.0
2002.7269287109375	208.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078966
PEPMASS=428.259094
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=32.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Ranolazine dihydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccccc1OCC(O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2
INCHI=InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)
INCHIAUX=XKLMZUWKNUAPSZ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078966
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078966
SCANS=1105
44.98889923095703	192.0
45.07304000854492	208.0
45.12516784667969	156.0
45.20542526245117	188.0
45.30022048950195	176.0
45.61517333984375	180.0
46.040260314941406	160.0
46.17540740966797	184.0
46.81734085083008	180.0
47.22951889038086	180.0
47.28424835205078	180.0
47.80024337768555	156.0
48.53788375854492	168.0
48.711368560791016	176.0
49.12454605102539	192.0
49.44757843017578	152.0
49.4755744934082	188.0
49.88380432128906	140.0
50.88118362426758	168.0
51.245277404785156	140.0
51.58207702636719	176.0
51.7265510559082	160.0
53.27971649169922	144.0
53.350929260253906	156.0
53.68144226074219	160.0
54.10077667236328	224.0
54.24580001831055	144.0
54.27219009399414	204.0
54.295654296875	148.0
54.358734130859375	188.0
54.41304397583008	188.0
55.969993591308594	168.0
56.63585662841797	148.0
56.71547317504883	140.0
56.966064453125	144.0
57.2473258972168	188.0
57.32716369628906	184.0
57.429683685302734	204.0
57.94062042236328	184.0
58.206260681152344	116.0
58.51927185058594	188.0
59.11457061767578	160.0
59.31060791015625	160.0
60.63614273071289	192.0
60.85797119140625	152.0
61.28570556640625	176.0
61.390140533447266	176.0
62.11899185180664	176.0
62.14252471923828	152.0
62.206871032714844	144.0
62.46929931640625	152.0
62.83636474609375	180.0
62.97212219238281	148.0
63.356502532958984	180.0
63.580074310302734	240.0
64.19254302978516	144.0
64.71664428710938	148.0
64.90251159667969	140.0
65.00517272949219	224.0
65.3892593383789	168.0
65.510498046875	164.0
65.61477661132812	144.0
65.91498565673828	208.0
66.25151824951172	196.0
66.360107421875	152.0
66.72216033935547	176.0
67.27442169189453	148.0
68.0504379272461	200.0
68.48458099365234	216.0
68.9666976928711	164.0
69.38021087646484	148.0
69.42497253417969	216.0
69.4780502319336	156.0
70.00328063964844	152.0
70.12322998046875	140.0
70.18824768066406	160.0
70.52046203613281	144.0
70.6960678100586	140.0
70.7965087890625	156.0
70.8434066772461	164.0
70.86853790283203	224.0
72.55394744873047	152.0
73.46405792236328	168.0
73.55933380126953	172.0
73.8703384399414	184.0
74.3758316040039	156.0
74.4135971069336	204.0
74.9123306274414	144.0
75.12091827392578	240.0
75.3470687866211	140.0
75.5493392944336	308.0
76.0067367553711	160.0
76.66927337646484	212.0
77.1108169555664	140.0
78.21582794189453	172.0
78.42543029785156	148.0
79.37478637695312	152.0
79.69961547851562	148.0
80.16582489013672	208.0
80.42799377441406	220.0
80.53155517578125	168.0
80.56013488769531	184.0
81.1751708984375	164.0
81.62654876708984	176.0
81.74887084960938	156.0
81.80106353759766	156.0
81.8622817993164	164.0
82.0550765991211	156.0
82.13082122802734	140.0
84.01078796386719	140.0
84.49606323242188	148.0
84.78353881835938	176.0
84.99625396728516	156.0
85.10638427734375	188.0
85.38202667236328	140.0
86.05645751953125	148.0
86.58531951904297	212.0
86.84664916992188	188.0
87.04336547851562	160.0
87.29131317138672	204.0
88.0863265991211	184.0
89.4573745727539	144.0
89.5797119140625	196.0
90.0019760131836	156.0
90.1644287109375	192.0
90.31001281738281	176.0
90.4102783203125	180.0
90.7512435913086	140.0
90.83658599853516	164.0
91.05296325683594	176.0
91.12894439697266	164.0
91.44651794433594	188.0
91.67886352539062	140.0
92.55374908447266	176.0
93.0330581665039	260.0
93.07337188720703	176.0
93.66956329345703	180.0
94.06293487548828	160.0
94.07838439941406	156.0
94.48228454589844	172.0
95.0198974609375	180.0
95.0510482788086	548.0
95.14313507080078	140.0
95.22857666015625	148.0
95.67386627197266	196.0
95.96610260009766	140.0
96.04257202148438	284.0
96.07527923583984	408.0
96.26659393310547	200.0
96.43852233886719	204.0
96.61841583251953	188.0
96.91275024414062	160.0
97.0492935180664	168.0
97.07693481445312	6332.0
97.5086441040039	184.0
97.73460388183594	208.0
97.86902618408203	180.0
98.02227783203125	332.0
98.05975341796875	636.0
98.08419799804688	20664.0
98.14622497558594	172.0
98.19526672363281	144.0
98.225830078125	196.0
98.51691436767578	176.0
99.06277465820312	268.0
99.09040832519531	2272.0
99.47992706298828	172.0
99.65270233154297	164.0
99.93028259277344	164.0
100.07714080810547	1192.0
100.09618377685547	196.0
100.652587890625	264.0
100.74446105957031	144.0
101.0774154663086	204.0
101.10783386230469	2512.0
101.53910827636719	144.0
102.0927505493164	276.0
102.11180877685547	152.0
102.98824310302734	220.0
103.0367202758789	228.0
103.05897521972656	264.0
103.07914733886719	212.0
103.659912109375	252.0
103.7166519165039	160.0
103.767333984375	148.0
104.34799194335938	216.0
104.62264251708984	168.0
105.03427124023438	200.0
105.0698013305664	712.0
105.29756927490234	148.0
105.52234649658203	192.0
105.87838745117188	160.0
106.07972717285156	196.0
106.24349212646484	164.0
106.82666015625	148.0
107.04877471923828	1280.0
107.07571411132812	164.0
107.24053955078125	148.0
107.52102661132812	144.0
108.05128479003906	168.0
108.07970428466797	292.0
108.14726257324219	188.0
108.82514190673828	152.0
108.9289779663086	180.0
109.03046417236328	136.0
109.06544494628906	328.0
109.09730529785156	140.0
109.8135986328125	256.0
110.05988311767578	320.0
110.08477783203125	128.0
110.1080551147461	240.0
111.0161361694336	176.0
111.04969024658203	208.0
111.0925064086914	10144.0
112.02921295166016	140.0
112.07553100585938	1804.0
112.09564971923828	652.0
112.84172821044922	144.0
112.86498260498047	192.0
113.08314514160156	752.0
113.10804748535156	19056.0
113.1506118774414	228.0
113.23806762695312	188.0
113.72296142578125	180.0
114.03659057617188	144.0
114.09194946289062	1120.0
114.11543273925781	5524.0
114.13910675048828	172.0
114.1925048828125	144.0
114.45000457763672	160.0
115.0960693359375	164.0
115.12034606933594	304.0
115.1985855102539	168.0
115.65017700195312	164.0
115.87675476074219	168.0
116.09967803955078	160.0
116.1683120727539	196.0
116.28632354736328	152.0
116.77404022216797	180.0
116.86869049072266	184.0
116.99351501464844	164.0
117.44603729248047	172.0
117.80220031738281	144.0
118.1177978515625	156.0
118.85005187988281	172.0
119.0489501953125	1168.0
119.39529418945312	160.0
119.43009185791016	208.0
120.0822982788086	508.0
121.03343963623047	180.0
121.06448364257812	1504.0
121.08819580078125	448.0
122.03563690185547	2072.0
122.06783294677734	348.0
122.09333801269531	860.0
123.04461669921875	500.0
123.09247589111328	516.0
123.42816162109375	176.0
123.65601348876953	152.0
123.98931121826172	196.0
124.04915618896484	220.0
124.0770034790039	196.0
124.1000747680664	1956.0
124.11811828613281	408.0
125.06220245361328	128.0
125.10843658447266	760.0
125.9416732788086	184.0
126.09016418457031	312.0
126.11595153808594	232.0
127.12377166748047	556.0
127.81586456298828	188.0
127.9981918334961	140.0
128.1243133544922	208.0
128.27981567382812	172.0
128.8191375732422	156.0
129.100341796875	268.0
129.3754425048828	140.0
129.5431365966797	148.0
130.06455993652344	172.0
130.13720703125	176.0
130.5621337890625	152.0
131.0496063232422	504.0
131.2429962158203	156.0
131.5943603515625	180.0
132.05661010742188	148.0
132.0829620361328	244.0
133.0660400390625	608.0
133.10443115234375	152.0
133.1583709716797	156.0
133.1813507080078	176.0
133.98876953125	188.0
134.0386962890625	316.0
134.06825256347656	212.0
134.09645080566406	2920.0
134.14137268066406	216.0
134.9226531982422	140.0
135.04188537597656	764.0
135.08114624023438	1352.0
135.1927947998047	164.0
135.39315795898438	152.0
135.8544158935547	180.0
135.97738647460938	152.0
135.99595642089844	176.0
136.08250427246094	308.0
136.16934204101562	136.0
136.40476989746094	192.0
136.46986389160156	156.0
136.73736572265625	164.0
137.06019592285156	2960.0
137.1073455810547	3612.0
138.06532287597656	616.0
138.09017944335938	348.0
138.11517333984375	3396.0
138.98074340820312	172.0
139.0867919921875	820.0
139.1228485107422	2008.0
139.2242431640625	164.0
139.30238342285156	144.0
140.09503173828125	1824.0
140.12400817871094	260.0
140.80511474609375	240.0
141.10174560546875	424.0
142.11119079589844	484.0
142.3661346435547	136.0
142.446533203125	168.0
143.0536346435547	160.0
143.07745361328125	224.0
143.1186981201172	772.0
144.0792694091797	176.0
144.23129272460938	184.0
144.4775848388672	220.0
144.56851196289062	156.0
145.08827209472656	144.0
145.50811767578125	176.0
145.61477661132812	188.0
145.81558227539062	160.0
145.84442138671875	148.0
146.0391845703125	212.0
146.05601501464844	160.0
146.09210205078125	184.0
147.044677734375	2148.0
148.05079650878906	456.0
148.0757598876953	172.0
148.1112060546875	740.0
148.1354522705078	164.0
149.0596466064453	2292.0
149.1134033203125	128.0
150.0680389404297	508.0
150.09201049804688	248.0
150.26611328125	204.0
150.378662109375	148.0
151.04196166992188	560.0
151.07518005371094	764.0
151.14845275878906	144.0
152.07321166992188	112.0
153.1015167236328	300.0
154.10394287109375	140.0
154.43272399902344	216.0
154.5293731689453	112.0
155.07252502441406	184.0
155.11843872070312	32124.0
155.17213439941406	216.0
155.288330078125	132.0
155.7987060546875	120.0
156.12208557128906	3360.0
156.29827880859375	192.0
157.09078979492188	252.0
157.13388061523438	2084.0
157.90982055664062	176.0
158.1374969482422	396.0
159.45462036132812	128.0
159.57237243652344	188.0
159.9522247314453	156.0
160.0749053955078	364.0
160.1125030517578	280.0
160.2947540283203	164.0
160.5367431640625	164.0
161.06021118164062	5144.0
161.35231018066406	140.0
161.46102905273438	168.0
162.06141662597656	452.0
162.48944091796875	172.0
163.07423400878906	4068.0
163.18533325195312	176.0
163.7189483642578	136.0
164.0782928466797	320.0
164.2982940673828	180.0
165.09181213378906	208.0
165.7300262451172	220.0
166.19668579101562	140.0
167.07000732421875	600.0
168.07501220703125	136.0
168.7930908203125	160.0
168.87326049804688	148.0
170.36631774902344	196.0
171.1153106689453	188.0
171.2157745361328	124.0
171.7381134033203	164.0
172.09564208984375	152.0
173.0290069580078	144.0
173.1097869873047	140.0
174.04104614257812	148.0
174.111328125	188.0
175.11134338378906	156.0
176.1071014404297	236.0
176.1663055419922	96.0
176.62371826171875	164.0
177.057861328125	236.0
177.63824462890625	200.0
179.0704345703125	10460.0
180.0736846923828	1508.0
180.1032257080078	200.0
180.14051818847656	168.0
180.46461486816406	148.0
180.62847900390625	124.0
181.0772247314453	156.0
181.1038818359375	176.0
182.27313232421875	144.0
183.16363525390625	156.0
184.1805419921875	140.0
185.12779235839844	164.0
185.5688018798828	168.0
185.66099548339844	160.0
185.7423553466797	164.0
185.90243530273438	164.0
186.0894012451172	1700.0
187.09352111816406	240.0
187.12460327148438	140.0
187.19094848632812	204.0
188.10928344726562	328.0
188.94049072265625	212.0
189.1114501953125	372.0
189.42503356933594	232.0
189.55105590820312	156.0
190.10223388671875	168.0
190.5498046875	160.0
190.59925842285156	156.0
190.74217224121094	204.0
190.8411407470703	160.0
191.11846923828125	2248.0
191.14854431152344	220.0
192.0417938232422	176.0
192.12135314941406	456.0
193.12850952148438	176.0
193.75286865234375	192.0
194.67649841308594	160.0
195.36024475097656	180.0
196.3851318359375	200.0
196.44667053222656	176.0
198.10997009277344	188.0
199.12388610839844	152.0
199.32200622558594	144.0
200.10572814941406	336.0
200.65049743652344	156.0
200.79147338867188	144.0
201.1364288330078	156.0
201.31356811523438	144.0
202.4758758544922	148.0
202.8980712890625	140.0
203.1171417236328	1156.0
203.15907287597656	116.0
203.47398376464844	172.0
203.66708374023438	168.0
203.6983184814453	152.0
204.09620666503906	144.0
204.12840270996094	660.0
204.25830078125	140.0
205.13348388671875	1668.0
205.60311889648438	148.0
205.7572479248047	160.0
205.8343505859375	164.0
206.13648986816406	272.0
206.28289794921875	232.0
206.85499572753906	148.0
207.1142578125	208.0
207.13848876953125	208.0
208.0948486328125	380.0
209.4767303466797	148.0
209.6986083984375	148.0
210.1066436767578	268.0
210.5872344970703	144.0
211.1334686279297	164.0
211.6833038330078	172.0
212.91287231445312	188.0
213.1249237060547	156.0
214.60934448242188	152.0
215.1490936279297	156.0
216.9599609375	156.0
217.1367645263672	920.0
217.2825469970703	148.0
217.5848388671875	148.0
217.85621643066406	248.0
217.89614868164062	172.0
218.00779724121094	196.0
218.09596252441406	144.0
218.13453674316406	216.0
219.15138244628906	208.0
219.45602416992188	156.0
220.09335327148438	148.0
220.15916442871094	152.0
220.69610595703125	180.0
221.6818084716797	144.0
222.11245727539062	308.0
222.17398071289062	152.0
222.5509033203125	152.0
222.7587890625	168.0
223.00839233398438	180.0
223.1142578125	236.0
223.43955993652344	176.0
224.1287841796875	4812.0
224.95643615722656	164.0
225.1327667236328	144.0
226.00244140625	232.0
226.05929565429688	192.0
228.23403930664062	176.0
228.93817138671875	152.0
229.1370391845703	344.0
230.13790893554688	160.0
230.42823791503906	220.0
230.9633026123047	188.0
231.15455627441406	304.0
231.48081970214844	152.0
232.14913940429688	332.0
233.07635498046875	192.0
233.12364196777344	164.0
233.16180419921875	164.0
233.52931213378906	176.0
234.829833984375	144.0
235.0464324951172	236.0
235.0983123779297	180.0
235.1470489501953	148.0
235.70599365234375	156.0
236.0727996826172	140.0
236.12806701660156	2120.0
236.56234741210938	212.0
236.9390106201172	140.0
237.1347198486328	388.0
237.15965270996094	188.0
237.4386444091797	140.0
238.14361572265625	240.0
238.5040283203125	140.0
238.68849182128906	176.0
239.1345672607422	192.0
240.45057678222656	152.0
240.70372009277344	164.0
240.83033752441406	144.0
241.11669921875	96.0
241.29075622558594	140.0
241.39279174804688	160.0
242.16091918945312	192.0
242.19126892089844	208.0
242.71499633789062	196.0
242.91659545898438	180.0
243.1500701904297	192.0
243.17173767089844	364.0
243.3107147216797	188.0
243.37901306152344	220.0
244.02838134765625	184.0
244.14852905273438	244.0
244.1931915283203	156.0
244.73777770996094	228.0
244.89036560058594	164.0
245.06793212890625	164.0
245.1514892578125	2612.0
245.72891235351562	200.0
246.15570068359375	548.0
246.87213134765625	160.0
247.2506561279297	200.0
247.69525146484375	140.0
247.73910522460938	168.0
248.02740478515625	164.0
248.15042114257812	2292.0
248.2125701904297	184.0
248.7080535888672	252.0
248.93722534179688	152.0
249.15650939941406	760.0
250.1527099609375	148.0
250.24526977539062	180.0
250.51611328125	164.0
251.14024353027344	292.0
251.6767120361328	212.0
252.80203247070312	156.0
253.12808227539062	160.0
253.3751220703125	160.0
253.86007690429688	168.0
254.97854614257812	112.0
256.7445068359375	184.0
258.157470703125	296.0
259.2860107421875	172.0
259.5585021972656	140.0
260.0236511230469	208.0
260.17681884765625	6200.0
260.3511047363281	140.0
260.4522399902344	156.0
261.1603088378906	1456.0
261.2768249511719	204.0
262.1644287109375	468.0
262.3685607910156	144.0
263.0911865234375	216.0
263.1405334472656	632.0
263.51287841796875	192.0
263.60150146484375	164.0
263.8244934082031	172.0
264.14678955078125	9848.0
264.5608825683594	128.0
264.8230285644531	196.0
265.1524963378906	1640.0
266.1614685058594	220.0
267.16973876953125	172.0
268.5165100097656	176.0
270.2151184082031	148.0
271.16986083984375	212.0
271.6532897949219	188.0
272.17425537109375	144.0
274.36962890625	148.0
274.643310546875	176.0
274.6664123535156	196.0
274.874267578125	156.0
275.5412292480469	164.0
276.35784912109375	144.0
276.70758056640625	112.0
277.1550598144531	652.0
277.486083984375	180.0
277.62200927734375	100.0
278.0841369628906	184.0
278.15728759765625	404.0
278.2768859863281	188.0
278.63104248046875	144.0
278.6924133300781	224.0
278.96112060546875	104.0
279.0629577636719	148.0
279.08758544921875	140.0
279.17138671875	67168.0
279.26336669921875	192.0
279.4676513671875	252.0
279.53765869140625	128.0
280.008544921875	96.0
280.07928466796875	156.0
280.17352294921875	10208.0
280.2611083984375	124.0
280.3696594238281	268.0
280.6004943847656	212.0
281.0699768066406	200.0
281.17828369140625	412.0
281.407958984375	104.0
281.5611572265625	120.0
281.7681884765625	128.0
281.9617919921875	124.0
282.1366271972656	128.0
282.1728515625	132.0
283.06500244140625	164.0
283.1364440917969	108.0
283.389892578125	144.0
283.4387512207031	152.0
285.7535400390625	156.0
286.19091796875	2664.0
286.2752685546875	180.0
286.615478515625	148.0
287.1938171386719	548.0
288.20697021484375	1524.0
289.1729736328125	284.0
289.2123107910156	228.0
290.055908203125	156.0
290.1872253417969	160.0
291.18914794921875	144.0
291.68182373046875	172.0
292.1170654296875	144.0
293.13275146484375	112.0
293.9056701660156	184.0
294.8721008300781	156.0
295.16973876953125	112.0
296.35723876953125	184.0
296.5320129394531	228.0
297.33795166015625	172.0
297.54180908203125	144.0
300.1415710449219	140.0
300.39678955078125	164.0
304.1026306152344	172.0
304.20294189453125	3824.0
304.30743408203125	188.0
304.4775695800781	224.0
304.734619140625	160.0
304.8041076660156	156.0
305.2049255371094	984.0
305.28033447265625	160.0
306.4986877441406	164.0
306.76702880859375	148.0
306.88555908203125	148.0
307.1063232421875	172.0
307.1690368652344	160.0
308.17791748046875	108.0
308.94610595703125	148.0
311.12237548828125	176.0
311.6070251464844	184.0
312.1518249511719	164.0
313.0283508300781	132.0
313.22174072265625	144.0
313.8560791015625	160.0
315.0172119140625	172.0
315.04901123046875	148.0
316.4707336425781	236.0
316.72216796875	156.0
319.4874572753906	156.0
320.6304016113281	192.0
320.8442687988281	148.0
321.17236328125	192.0
321.25439453125	156.0
321.97540283203125	172.0
322.9367980957031	204.0
323.1907653808594	176.0
325.22271728515625	156.0
325.6894836425781	144.0
327.3591003417969	100.0
328.1833801269531	152.0
328.2302551269531	144.0
328.7280578613281	140.0
331.4617919921875	188.0
333.079833984375	144.0
334.22137451171875	208.0
335.1717224121094	188.0
335.2118225097656	144.0
336.77325439453125	152.0
338.29803466796875	152.0
339.3971252441406	168.0
339.6758728027344	168.0
339.7822570800781	192.0
340.6780090332031	160.0
340.94989013671875	168.0
341.5013732910156	164.0
342.20965576171875	160.0
343.1953430175781	160.0
344.54248046875	188.0
344.7124328613281	164.0
345.0450744628906	152.0
347.5042724609375	164.0
347.59332275390625	176.0
347.8085632324219	140.0
347.8493957519531	152.0
348.05731201171875	148.0
348.1061096191406	144.0
348.168701171875	160.0
348.4138488769531	164.0
349.49578857421875	196.0
350.2701416015625	212.0
351.1385803222656	160.0
352.3853454589844	172.0
352.5946044921875	180.0
353.09930419921875	228.0
353.2002868652344	144.0
353.4883728027344	144.0
355.5870056152344	152.0
355.6845703125	156.0
356.6649475097656	144.0
357.67608642578125	168.0
357.7257080078125	156.0
358.1714782714844	136.0
358.88604736328125	144.0
360.32403564453125	156.0
360.3807067871094	176.0
360.4260559082031	160.0
360.9930419921875	168.0
361.2124328613281	244.0
361.7621154785156	136.0
362.59820556640625	164.0
362.8028869628906	148.0
363.6361389160156	160.0
363.7550354003906	188.0
364.5184326171875	184.0
365.5718688964844	132.0
366.3561096191406	208.0
366.4437255859375	172.0
367.126708984375	112.0
367.93109130859375	152.0
368.01129150390625	148.0
368.34735107421875	140.0
368.5345458984375	164.0
370.45892333984375	184.0
370.6236572265625	204.0
370.6849670410156	144.0
370.78460693359375	176.0
372.5265808105469	180.0
373.1914367675781	168.0
374.57586669921875	148.0
374.6192321777344	180.0
374.7238464355469	132.0
375.4132080078125	184.0
376.0343322753906	184.0
376.4783020019531	160.0
378.0439453125	140.0
378.50457763671875	156.0
379.88433837890625	164.0
380.2270202636719	136.0
381.19879150390625	244.0
381.709716796875	152.0
382.9940185546875	196.0
383.2511291503906	176.0
383.3485412597656	140.0
383.4732666015625	164.0
383.5628967285156	140.0
384.2237243652344	148.0
385.0728759765625	160.0
385.1470947265625	172.0
385.37890625	164.0
386.23370361328125	156.0
387.3218688964844	204.0
388.7376708984375	216.0
390.1511535644531	188.0
390.21405029296875	148.0
391.4534912109375	160.0
392.186279296875	192.0
392.2651062011719	152.0
392.63177490234375	140.0
392.7619323730469	176.0
392.91973876953125	228.0
394.3017578125	140.0
394.4717102050781	212.0
397.3110656738281	140.0
397.3544921875	148.0
398.2496337890625	156.0
400.16064453125	144.0
400.2243347167969	168.0
400.4353942871094	208.0
400.7899475097656	184.0
400.8497009277344	204.0
401.16058349609375	152.0
402.01409912109375	188.0
402.3937683105469	136.0
402.82861328125	196.0
403.4000244140625	212.0
403.8238830566406	188.0
404.5321044921875	140.0
404.7220458984375	180.0
405.03265380859375	144.0
405.1688537597656	144.0
406.6761474609375	112.0
408.649658203125	144.0
409.0091552734375	216.0
410.2436218261719	1484.0
411.24920654296875	488.0
411.41436767578125	152.0
412.2423400878906	144.0
412.9281311035156	108.0
413.008544921875	124.0
414.2572326660156	144.0
414.9704895019531	168.0
415.5423583984375	148.0
416.9554748535156	188.0
417.7035827636719	148.0
418.2509460449219	116.0
418.8962707519531	172.0
419.1081237792969	188.0
419.4161376953125	180.0
420.392578125	164.0
420.6660461425781	184.0
421.57275390625	144.0
421.6912536621094	144.0
422.19573974609375	152.0
422.400390625	260.0
422.5827331542969	180.0
422.6277160644531	100.0
422.6954650878906	144.0
423.1679992675781	148.0
423.4862060546875	164.0
423.7022399902344	160.0
423.8448791503906	112.0
423.8970642089844	144.0
424.0127258300781	128.0
424.1705627441406	120.0
424.2192077636719	152.0
424.3833312988281	196.0
424.8528747558594	160.0
424.8959655761719	96.0
424.9443664550781	96.0
425.01031494140625	140.0
425.0613098144531	100.0
425.1441345214844	112.0
425.2226257324219	280.0
425.2635498046875	164.0
425.3726806640625	156.0
425.4375915527344	152.0
425.62091064453125	116.0
425.70361328125	124.0
425.8294372558594	312.0
426.1288146972656	180.0
426.1883544921875	388.0
426.2353210449219	260.0
426.3434753417969	212.0
426.37847900390625	96.0
426.4245300292969	216.0
426.52069091796875	512.0
426.5515441894531	232.0
426.6624755859375	128.0
426.7220153808594	236.0
426.78515625	232.0
426.81976318359375	264.0
426.86102294921875	280.0
426.8948059082031	228.0
426.9412841796875	252.0
427.0234680175781	148.0
427.1163330078125	360.0
427.17218017578125	216.0
427.2106018066406	208.0
427.2589416503906	276.0
427.3527526855469	248.0
427.4050598144531	220.0
427.45257568359375	152.0
427.5006408691406	164.0
427.5462951660156	240.0
427.6039733886719	540.0
427.6773986816406	296.0
427.7165832519531	348.0
427.75811767578125	528.0
427.7835388183594	352.0
427.8223876953125	132.0
427.86431884765625	124.0
427.8992614746094	304.0
427.93499755859375	344.0
427.9794616699219	536.0
428.067138671875	392.0
428.1406555175781	732.0
428.2030944824219	1156.0
428.2578430175781	250800.0
428.4107360839844	176.0
428.52996826171875	276.0
428.5600891113281	360.0
428.6408386230469	588.0
428.6956481933594	388.0
428.7151794433594	244.0
428.7586669921875	400.0
428.79388427734375	396.0
428.8867492675781	376.0
428.9354553222656	12344.0
428.9927673339844	644.0
429.0773010253906	212.0
429.0894775390625	280.0
429.1324462890625	184.0
429.25946044921875	182444.0
429.40899658203125	256.0
429.5310363769531	204.0
429.6167297363281	240.0
429.6654052734375	220.0
429.7082824707031	388.0
429.8021545410156	192.0
429.8784484863281	220.0
429.8917541503906	180.0
429.94024658203125	944.0
430.0203857421875	424.0
430.03143310546875	196.0
430.1155090332031	220.0
430.1512756347656	228.0
430.1921081542969	420.0
430.26165771484375	22048.0
430.3365478515625	216.0
430.3702697753906	144.0
430.4521789550781	100.0
430.5701904296875	200.0
430.6721496582031	156.0
430.7247619628906	156.0
430.8456115722656	176.0
430.90643310546875	232.0
431.059814453125	176.0
431.12884521484375	136.0
431.18603515625	212.0
431.2611389160156	2372.0
431.35516357421875	180.0
431.5436096191406	188.0
431.57342529296875	472.0
431.60821533203125	312.0
431.64453125	236.0
431.68072509765625	208.0
431.75531005859375	268.0
431.8432312011719	216.0
431.8865966796875	260.0
431.9240417480469	440.0
431.93975830078125	200.0
431.9745788574219	212.0
432.03179931640625	280.0
432.0675354003906	364.0
432.098388671875	188.0
432.1492919921875	212.0
432.19146728515625	180.0
432.2643127441406	392.0
432.3767395019531	108.0
432.4870300292969	160.0
432.5845031738281	168.0
432.7266845703125	104.0
432.8538513183594	280.0
432.9649963378906	276.0
433.0613708496094	280.0
433.42578125	112.0
433.5633239746094	96.0
433.67828369140625	100.0
433.9024963378906	144.0
434.0287170410156	104.0
434.1253662109375	144.0
434.2400207519531	148.0
434.5892639160156	188.0
435.6861267089844	136.0
444.35015869140625	96.0
445.01507568359375	124.0
445.27435302734375	108.0
445.3166198730469	164.0
446.3840637207031	164.0
448.54534912109375	140.0
449.30621337890625	104.0
482.31866455078125	136.0
483.3099060058594	148.0
547.9949951171875	148.0
567.0870361328125	108.0
583.1348876953125	148.0
618.08447265625	140.0
631.1865234375	140.0
643.4764404296875	172.0
655.1154174804688	140.0
674.5232543945312	172.0
682.4811401367188	160.0
754.9656982421875	152.0
803.4954223632812	144.0
891.3465576171875	160.0
945.0767211914062	152.0
945.4989624023438	144.0
1125.909423828125	216.0
1221.69482421875	156.0
1251.1646728515625	156.0
1254.694091796875	156.0
1261.810546875	172.0
1266.5731201171875	164.0
1308.7591552734375	228.0
1311.72021484375	240.0
1312.441162109375	148.0
1327.8658447265625	156.0
1341.3388671875	156.0
1349.0400390625	168.0
1356.4554443359375	140.0
1385.327392578125	244.0
1387.2022705078125	144.0
1394.015625	204.0
1395.6063232421875	156.0
1399.8177490234375	152.0
1407.0726318359375	140.0
1408.767822265625	192.0
1422.5616455078125	152.0
1434.514892578125	140.0
1438.4373779296875	208.0
1439.751220703125	152.0
1449.0474853515625	152.0
1450.7222900390625	160.0
1450.881591796875	148.0
1463.0899658203125	208.0
1474.692138671875	172.0
1478.225341796875	140.0
1484.3994140625	144.0
1490.34814453125	260.0
1497.279052734375	148.0
1502.56689453125	144.0
1504.6968994140625	152.0
1505.0906982421875	140.0
1505.45361328125	172.0
1509.518310546875	180.0
1529.85400390625	148.0
1534.2633056640625	172.0
1538.4525146484375	152.0
1540.38916015625	184.0
1541.425537109375	184.0
1543.307861328125	208.0
1555.4393310546875	184.0
1555.9102783203125	172.0
1556.0830078125	148.0
1556.3499755859375	236.0
1557.9600830078125	188.0
1571.89599609375	164.0
1577.1048583984375	160.0
1577.6220703125	168.0
1578.507568359375	200.0
1583.08935546875	216.0
1586.155517578125	180.0
1586.8372802734375	172.0
1588.48681640625	192.0
1595.999755859375	172.0
1601.3634033203125	192.0
1612.549072265625	196.0
1614.5078125	200.0
1616.211669921875	148.0
1619.04541015625	220.0
1625.9801025390625	172.0
1665.6728515625	160.0
1667.1109619140625	140.0
1667.517333984375	196.0
1669.9239501953125	188.0
1670.436279296875	152.0
1671.7137451171875	140.0
1672.722900390625	188.0
1675.3939208984375	160.0
1676.5753173828125	152.0
1682.105224609375	180.0
1683.97509765625	164.0
1685.445556640625	220.0
1688.265625	148.0
1689.25537109375	276.0
1696.4288330078125	188.0
1698.2081298828125	200.0
1702.130859375	160.0
1705.07177734375	176.0
1705.343017578125	160.0
1709.611328125	148.0
1714.8492431640625	148.0
1715.030517578125	160.0
1723.5174560546875	152.0
1724.861328125	348.0
1726.31640625	140.0
1730.4039306640625	260.0
1732.0849609375	140.0
1740.519287109375	144.0
1742.7037353515625	156.0
1742.9364013671875	196.0
1744.440673828125	156.0
1750.8323974609375	104.0
1760.446044921875	148.0
1763.7210693359375	164.0
1768.7900390625	148.0
1772.0224609375	156.0
1772.7398681640625	232.0
1779.3526611328125	140.0
1781.33447265625	156.0
1782.166259765625	200.0
1783.2333984375	144.0
1788.6754150390625	168.0
1815.50927734375	160.0
1820.04052734375	184.0
1820.4141845703125	160.0
1824.5435791015625	140.0
1825.699951171875	172.0
1831.96435546875	140.0
1835.313720703125	168.0
1837.087646484375	208.0
1842.3878173828125	136.0
1842.4830322265625	184.0
1845.3289794921875	148.0
1845.542724609375	144.0
1846.5517578125	172.0
1847.7408447265625	192.0
1848.613525390625	220.0
1849.7261962890625	152.0
1853.1602783203125	144.0
1854.891357421875	160.0
1860.244140625	204.0
1860.827880859375	272.0
1861.4547119140625	168.0
1869.6729736328125	224.0
1870.6627197265625	208.0
1874.400634765625	160.0
1885.1611328125	172.0
1887.0455322265625	156.0
1892.556884765625	144.0
1896.3685302734375	148.0
1898.761474609375	212.0
1906.2359619140625	180.0
1907.1571044921875	176.0
1911.03564453125	240.0
1911.9580078125	164.0
1912.90673828125	236.0
1914.24755859375	156.0
1914.88330078125	224.0
1917.6712646484375	188.0
1922.14501953125	148.0
1928.6688232421875	160.0
1929.3419189453125	164.0
1933.3392333984375	216.0
1937.7435302734375	328.0
1941.4864501953125	168.0
1943.3548583984375	144.0
1948.411865234375	184.0
1950.4769287109375	172.0
1955.534423828125	144.0
1956.434814453125	164.0
1961.3829345703125	164.0
1970.63134765625	144.0
1972.24853515625	152.0
1972.876220703125	168.0
1979.34375	148.0
1981.044189453125	184.0
1988.1640625	152.0
1993.287841796875	160.0
1994.84326171875	140.0
1995.4832763671875	176.0
2001.7205810546875	232.0
2002.2637939453125	200.0
2002.8695068359375	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078967
PEPMASS=428.262451
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=32.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003272_G2_H11_BC3_01_15716.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Ranolazine dihydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccccc1OCC(O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2
INCHI=InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)
INCHIAUX=XKLMZUWKNUAPSZ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078967
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078967
SCANS=1110
45.324581146240234	476.0
45.7288932800293	184.0
45.770538330078125	192.0
46.39610290527344	168.0
47.9972038269043	148.0
48.34464645385742	168.0
48.669681549072266	168.0
49.23086166381836	156.0
50.125858306884766	156.0
50.231597900390625	240.0
52.940284729003906	160.0
53.10550308227539	164.0
53.46435546875	268.0
53.6887092590332	188.0
53.871158599853516	192.0
54.23112106323242	220.0
54.42770004272461	148.0
55.08308029174805	144.0
55.402610778808594	144.0
56.604740142822266	192.0
56.74842834472656	192.0
56.796417236328125	156.0
56.91902160644531	144.0
57.88909912109375	160.0
58.726497650146484	224.0
58.89744567871094	232.0
59.30598449707031	148.0
59.47470474243164	160.0
59.85597229003906	188.0
60.04552459716797	180.0
60.29408645629883	176.0
61.02108383178711	148.0
61.78059387207031	148.0
61.988834381103516	216.0
62.47713851928711	164.0
62.59990692138672	140.0
62.626678466796875	168.0
64.28662872314453	152.0
64.3680419921875	200.0
64.55020904541016	156.0
64.74544525146484	160.0
65.50516510009766	188.0
65.72764587402344	248.0
66.28875732421875	160.0
66.92875671386719	196.0
67.80107879638672	220.0
68.4022216796875	148.0
68.82426452636719	188.0
69.37023162841797	184.0
69.70050811767578	180.0
69.82684326171875	144.0
69.91336059570312	172.0
70.7740707397461	148.0
71.38562774658203	156.0
71.42250061035156	160.0
71.72895812988281	196.0
71.8740005493164	192.0
72.1036605834961	252.0
73.90794372558594	152.0
74.53379821777344	180.0
74.59449768066406	212.0
74.81758117675781	148.0
75.39368438720703	164.0
75.7310562133789	168.0
76.04661560058594	176.0
76.1942138671875	188.0
78.10317993164062	180.0
78.84191131591797	152.0
79.04528045654297	140.0
80.39583587646484	172.0
80.57617950439453	216.0
80.61906433105469	144.0
80.8622817993164	164.0
81.27265930175781	168.0
81.89105987548828	220.0
82.04422760009766	232.0
82.17227172851562	196.0
82.25528717041016	172.0
83.55462646484375	140.0
83.72209167480469	184.0
83.91706085205078	144.0
84.19441986083984	180.0
84.33692932128906	188.0
84.5417709350586	148.0
84.5985107421875	192.0
84.70838165283203	192.0
84.7431869506836	216.0
85.04209899902344	156.0
85.0586166381836	184.0
85.09165954589844	152.0
85.2900619506836	184.0
85.69307708740234	152.0
86.22451782226562	208.0
86.2966079711914	224.0
86.36133575439453	164.0
86.72052764892578	176.0
87.19194030761719	144.0
87.29209899902344	160.0
87.91638946533203	176.0
88.34052276611328	188.0
89.10728454589844	192.0
89.43637084960938	260.0
89.45143127441406	244.0
89.53753662109375	196.0
89.70890808105469	204.0
89.73023986816406	172.0
90.70001983642578	160.0
91.05392456054688	388.0
91.20872497558594	168.0
91.49406433105469	148.0
92.0584487915039	184.0
92.16350555419922	156.0
92.23039245605469	260.0
92.33172607421875	164.0
94.04552459716797	172.0
94.06675720214844	160.0
94.45709228515625	140.0
94.56544494628906	140.0
94.7339096069336	172.0
95.04873657226562	180.0
95.0887451171875	180.0
96.04865264892578	156.0
96.07979583740234	512.0
96.20797729492188	156.0
96.22750091552734	168.0
96.50885009765625	164.0
96.5753402709961	164.0
97.0080795288086	172.0
97.05200958251953	128.0
97.07616424560547	5600.0
97.3475112915039	144.0
97.45358276367188	148.0
97.6796646118164	140.0
98.0588150024414	312.0
98.08427429199219	15320.0
98.16560363769531	172.0
98.78958129882812	140.0
99.06542205810547	316.0
99.08995819091797	1804.0
99.11001586914062	144.0
99.76792907714844	208.0
99.86705017089844	156.0
100.07552337646484	1408.0
100.09843444824219	108.0
100.61642456054688	132.0
100.786376953125	160.0
101.07734680175781	156.0
101.10774993896484	2128.0
101.13634490966797	164.0
101.84815216064453	204.0
101.87627410888672	180.0
102.02900695800781	164.0
102.0886001586914	300.0
102.10761260986328	512.0
102.55008697509766	148.0
102.72377014160156	168.0
103.0518798828125	192.0
103.53224182128906	176.0
103.78147888183594	168.0
103.87680053710938	140.0
104.05741882324219	160.0
105.07090759277344	328.0
105.09339141845703	152.0
106.07079315185547	172.0
106.1548080444336	172.0
106.88934326171875	212.0
107.04925537109375	848.0
107.07042694091797	264.0
107.08596801757812	156.0
107.76671600341797	140.0
107.90105438232422	176.0
108.08255004882812	180.0
108.17826843261719	188.0
108.4558334350586	164.0
109.0439682006836	284.0
109.06922912597656	428.0
109.31356048583984	160.0
110.05982971191406	296.0
110.09320831298828	332.0
110.17049407958984	180.0
110.56358337402344	224.0
110.66824340820312	180.0
110.8588638305664	164.0
111.09239959716797	9220.0
111.15583038330078	244.0
111.34556579589844	160.0
111.98436737060547	180.0
112.07640838623047	1320.0
112.09779357910156	1588.0
112.320068359375	144.0
112.57966613769531	148.0
112.72542572021484	172.0
112.79939270019531	144.0
112.87454986572266	136.0
112.89753723144531	172.0
113.08296203613281	268.0
113.10810089111328	14768.0
113.37228393554688	184.0
114.01287841796875	204.0
114.07125854492188	172.0
114.09442901611328	320.0
114.11446380615234	5688.0
114.15470886230469	160.0
114.54988861083984	160.0
115.09020233154297	160.0
115.11674499511719	272.0
115.42507934570312	212.0
116.00957489013672	160.0
116.12751007080078	212.0
117.34031677246094	140.0
117.51069641113281	180.0
118.00529479980469	144.0
118.5074234008789	148.0
118.76909637451172	164.0
119.04928588867188	608.0
119.34523010253906	144.0
119.75652313232422	160.0
119.84076690673828	208.0
120.05728149414062	164.0
120.08195495605469	616.0
120.59872436523438	180.0
120.65555572509766	148.0
120.75421905517578	168.0
120.82614135742188	204.0
121.02909851074219	340.0
121.06485748291016	500.0
121.08943176269531	340.0
121.24655151367188	204.0
121.34300231933594	160.0
121.7822494506836	144.0
122.03643798828125	1960.0
122.07002258300781	164.0
122.09500885009766	604.0
123.04375457763672	1132.0
123.09247589111328	620.0
123.42147064208984	168.0
124.05372619628906	148.0
124.07239532470703	156.0
124.09895324707031	1820.0
124.16815185546875	124.0
124.78282928466797	160.0
124.98078155517578	192.0
125.06312561035156	160.0
125.10488891601562	588.0
125.71166229248047	180.0
126.08059692382812	212.0
126.10851287841797	212.0
126.13861083984375	148.0
127.086669921875	160.0
127.122802734375	460.0
127.82705688476562	152.0
128.1026611328125	136.0
128.14154052734375	132.0
129.7537078857422	144.0
130.13259887695312	152.0
130.41201782226562	188.0
131.0511932373047	340.0
131.0970458984375	164.0
131.28854370117188	188.0
131.3774871826172	148.0
132.055908203125	536.0
132.07989501953125	464.0
132.2206268310547	152.0
133.06637573242188	520.0
133.08839416503906	172.0
133.13534545898438	152.0
133.4869384765625	176.0
133.86203002929688	188.0
134.04013061523438	176.0
134.06973266601562	124.0
134.09669494628906	3212.0
134.33534240722656	100.0
134.47666931152344	124.0
134.9257049560547	140.0
135.0181884765625	256.0
135.0441131591797	328.0
135.08041381835938	1412.0
135.1407928466797	196.0
135.9100341796875	164.0
135.96340942382812	156.0
136.04696655273438	148.0
136.07626342773438	200.0
136.10733032226562	152.0
136.33265686035156	168.0
136.983154296875	144.0
137.05953979492188	2912.0
137.1074981689453	3736.0
137.95721435546875	196.0
138.06137084960938	188.0
138.08929443359375	272.0
138.11521911621094	3060.0
138.46261596679688	148.0
138.51414489746094	160.0
138.69961547851562	156.0
138.7977294921875	140.0
138.82821655273438	140.0
138.8572998046875	120.0
139.0393524169922	148.0
139.08316040039062	976.0
139.12115478515625	1132.0
139.42449951171875	168.0
140.05250549316406	164.0
140.09304809570312	692.0
140.1278839111328	368.0
140.1807861328125	100.0
140.3590545654297	140.0
140.51707458496094	176.0
140.5634765625	132.0
140.77481079101562	144.0
141.10183715820312	304.0
141.48130798339844	192.0
141.71340942382812	268.0
142.04293823242188	156.0
142.0808868408203	188.0
142.1082305908203	620.0
142.4488525390625	184.0
142.55101013183594	164.0
142.62705993652344	192.0
143.07904052734375	296.0
143.11834716796875	492.0
144.04278564453125	116.0
144.27903747558594	168.0
144.49905395507812	144.0
145.0082550048828	136.0
145.0669708251953	160.0
145.08592224121094	172.0
145.28726196289062	180.0
146.03929138183594	156.0
146.06895446777344	168.0
146.09857177734375	172.0
146.3832550048828	140.0
146.45550537109375	140.0
146.96038818359375	164.0
147.0445098876953	3248.0
147.61634826660156	200.0
148.05203247070312	516.0
148.07781982421875	116.0
148.11412048339844	836.0
148.8011932373047	152.0
149.06069946289062	1944.0
149.1145477294922	192.0
149.21310424804688	220.0
149.238525390625	152.0
149.29444885253906	148.0
149.364990234375	360.0
149.6229248046875	148.0
150.01759338378906	148.0
150.0652313232422	492.0
150.09140014648438	160.0
150.36151123046875	204.0
150.45913696289062	140.0
151.0390625	172.0
151.07484436035156	500.0
151.13125610351562	160.0
151.51646423339844	180.0
151.80487060546875	140.0
152.07810974121094	148.0
152.08932495117188	156.0
152.3939666748047	236.0
153.10118103027344	140.0
153.31179809570312	208.0
153.35369873046875	140.0
153.43504333496094	140.0
154.07916259765625	136.0
154.11221313476562	172.0
154.4678955078125	112.0
154.85093688964844	156.0
154.91285705566406	224.0
154.95993041992188	156.0
154.991943359375	100.0
155.0585479736328	216.0
155.11859130859375	28816.0
155.1754913330078	148.0
155.24154663085938	124.0
155.3235321044922	148.0
155.58900451660156	148.0
155.70587158203125	112.0
155.8111114501953	228.0
156.08181762695312	152.0
156.12168884277344	3752.0
156.15890502929688	140.0
156.60690307617188	164.0
157.06362915039062	164.0
157.13258361816406	1444.0
157.48486328125	264.0
157.88723754882812	144.0
158.0935516357422	172.0
158.13392639160156	140.0
158.43040466308594	244.0
158.91175842285156	148.0
159.0694122314453	160.0
159.15773010253906	156.0
160.07803344726562	560.0
160.11581420898438	140.0
160.2039794921875	160.0
160.70114135742188	100.0
160.88487243652344	140.0
161.0599365234375	3240.0
161.1045684814453	252.0
161.64816284179688	144.0
162.0626220703125	656.0
162.0946044921875	172.0
162.26365661621094	144.0
162.64671325683594	152.0
162.90318298339844	168.0
163.0755615234375	3276.0
164.04830932617188	196.0
164.0779571533203	720.0
164.1060333251953	124.0
164.41619873046875	152.0
165.04881286621094	172.0
165.10281372070312	432.0
165.45335388183594	164.0
165.6326141357422	152.0
165.93756103515625	148.0
166.0877227783203	144.0
166.4584197998047	140.0
166.5817108154297	152.0
166.82325744628906	248.0
167.069580078125	656.0
168.0779266357422	184.0
168.107177734375	112.0
168.2143096923828	168.0
168.4932098388672	152.0
169.0904541015625	148.0
169.8341064453125	148.0
170.01046752929688	148.0
170.01889038085938	144.0
170.52955627441406	132.0
171.00291442871094	160.0
171.02748107910156	152.0
171.1100311279297	176.0
171.138671875	192.0
171.34963989257812	292.0
171.67062377929688	132.0
171.99679565429688	2704.0
172.03269958496094	1264.0
172.10943603515625	152.0
172.680908203125	256.0
173.00146484375	2456.0
173.03756713867188	1236.0
173.10487365722656	160.0
173.22796630859375	140.0
173.46380615234375	148.0
174.00274658203125	496.0
174.03302001953125	132.0
174.0908660888672	176.0
174.18540954589844	160.0
174.3483123779297	176.0
175.06385803222656	176.0
175.3009490966797	156.0
175.4037322998047	244.0
176.12936401367188	160.0
177.0537567138672	148.0
177.07359313964844	152.0
178.12127685546875	140.0
178.5777130126953	172.0
178.9456787109375	152.0
179.07107543945312	8568.0
179.88433837890625	128.0
179.91078186035156	188.0
180.07537841796875	576.0
180.9052276611328	180.0
181.0257110595703	176.0
181.07655334472656	384.0
181.9400177001953	140.0
182.0089569091797	148.0
182.02496337890625	276.0
182.14410400390625	156.0
183.01869201660156	152.0
183.06390380859375	212.0
183.11776733398438	144.0
184.45066833496094	164.0
184.58718872070312	136.0
184.6804962158203	168.0
185.101318359375	128.0
185.370849609375	184.0
186.0914306640625	672.0
186.7453155517578	112.0
186.81797790527344	180.0
187.0547332763672	140.0
187.0950469970703	412.0
187.1216583251953	352.0
187.43601989746094	168.0
187.53684997558594	140.0
187.89134216308594	192.0
188.1103057861328	704.0
188.82005310058594	140.0
189.0734100341797	148.0
189.104736328125	592.0
189.48953247070312	216.0
189.94027709960938	160.0
190.1049041748047	168.0
191.0885772705078	156.0
191.1175079345703	2424.0
191.4223175048828	96.0
191.44827270507812	136.0
192.12416076660156	148.0
193.8451690673828	152.0
195.7163848876953	144.0
196.0020751953125	136.0
196.0983428955078	148.0
196.9909210205078	148.0
198.03355407714844	372.0
198.07347106933594	152.0
198.11370849609375	308.0
198.3004150390625	144.0
198.8080291748047	144.0
199.03347778320312	612.0
199.12667846679688	112.0
199.26571655273438	156.0
199.47930908203125	160.0
200.02825927734375	6764.0
200.65408325195312	224.0
200.87454223632812	100.0
201.03231811523438	5028.0
201.1758575439453	160.0
202.03329467773438	1440.0
202.09619140625	164.0
202.766357421875	120.0
202.82363891601562	192.0
202.93199157714844	156.0
202.96035766601562	156.0
203.0370635986328	236.0
203.11619567871094	628.0
203.8033447265625	240.0
204.03640747070312	172.0
204.09397888183594	112.0
204.12806701660156	152.0
204.34356689453125	140.0
205.0811004638672	168.0
205.1337127685547	1176.0
205.33200073242188	180.0
205.4460906982422	144.0
206.14073181152344	152.0
206.32568359375	144.0
206.78335571289062	172.0
206.9808807373047	144.0
207.1240692138672	148.0
207.66580200195312	160.0
208.1003875732422	384.0
208.13522338867188	152.0
208.1726531982422	280.0
208.9792938232422	132.0
209.103271484375	160.0
209.97296142578125	144.0
210.60447692871094	168.0
210.62469482421875	168.0
212.30044555664062	208.0
212.99855041503906	180.0
214.13552856445312	140.0
214.24203491210938	164.0
214.45143127441406	116.0
214.69964599609375	148.0
214.7842254638672	184.0
215.26577758789062	192.0
216.01983642578125	152.0
216.3756561279297	200.0
216.5833282470703	132.0
216.76055908203125	140.0
216.96572875976562	248.0
217.13348388671875	748.0
217.31884765625	288.0
217.9174346923828	128.0
218.0047607421875	176.0
218.12855529785156	236.0
218.52227783203125	152.0
219.10879516601562	128.0
219.1502685546875	384.0
219.25588989257812	144.0
219.588623046875	148.0
219.66531372070312	148.0
219.81715393066406	172.0
220.93698120117188	160.0
221.06871032714844	144.0
221.40768432617188	124.0
221.82395935058594	144.0
222.1139373779297	384.0
222.25399780273438	156.0
223.1179656982422	152.0
223.19406127929688	204.0
223.9306182861328	352.0
224.1284942626953	3744.0
224.6161651611328	176.0
224.9055938720703	140.0
225.13320922851562	580.0
225.98439025878906	172.0
226.13882446289062	152.0
227.50987243652344	140.0
228.2339324951172	160.0
228.27001953125	140.0
228.83712768554688	144.0
229.1345977783203	340.0
229.66439819335938	148.0
229.9751739501953	148.0
230.13015747070312	116.0
230.1524200439453	160.0
230.19857788085938	160.0
230.59432983398438	148.0
231.1505889892578	580.0
231.68667602539062	176.0
232.15231323242188	240.0
232.7208709716797	148.0
232.99725341796875	156.0
233.06028747558594	188.0
233.12442016601562	276.0
233.2130126953125	188.0
233.7786865234375	176.0
234.0983123779297	140.0
234.1393585205078	140.0
234.8474578857422	148.0
235.14210510253906	188.0
236.12921142578125	804.0
236.9001922607422	212.0
237.12701416015625	312.0
238.1526336669922	108.0
239.4244384765625	148.0
240.4473876953125	156.0
240.77154541015625	164.0
240.97927856445312	96.0
241.10829162597656	216.0
241.70799255371094	116.0
242.16018676757812	188.0
243.14784240722656	184.0
243.33921813964844	148.0
243.82000732421875	148.0
243.91180419921875	216.0
244.14955139160156	240.0
244.29261779785156	140.0
244.35484313964844	192.0
244.51976013183594	180.0
244.9916229248047	228.0
245.15150451660156	2452.0
246.13641357421875	312.0
246.15667724609375	656.0
246.2220001220703	140.0
246.48751831054688	144.0
246.8651123046875	156.0
247.1461181640625	140.0
247.6512908935547	156.0
247.85179138183594	196.0
248.02415466308594	144.0
248.1517791748047	1304.0
248.30006408691406	168.0
248.90257263183594	232.0
249.10986328125	188.0
249.1558380126953	276.0
249.78256225585938	204.0
250.10980224609375	160.0
250.1412811279297	216.0
250.62628173828125	200.0
250.98353576660156	128.0
251.14503479003906	140.0
251.2451171875	168.0
251.4461669921875	164.0
251.51560974121094	200.0
252.20733642578125	220.0
252.2357940673828	160.0
252.3907012939453	192.0
253.04563903808594	176.0
253.53660583496094	156.0
253.9409637451172	132.0
254.28506469726562	144.0
254.9170379638672	164.0
255.15701293945312	168.0
255.4700164794922	156.0
255.5172576904297	156.0
255.7534637451172	140.0
255.94766235351562	148.0
256.859130859375	164.0
257.0665283203125	192.0
257.222900390625	148.0
257.5805358886719	168.0
257.7147216796875	152.0
258.047119140625	140.0
258.1602783203125	112.0
258.7395324707031	160.0
258.86944580078125	224.0
259.18975830078125	184.0
259.3004455566406	96.0
259.7232971191406	104.0
260.17559814453125	5128.0
260.315673828125	140.0
260.5320739746094	96.0
260.69122314453125	128.0
260.8128356933594	144.0
261.1638488769531	1668.0
261.2638244628906	140.0
261.3556213378906	124.0
261.6585388183594	156.0
261.7626953125	208.0
262.0357666015625	124.0
262.1664733886719	420.0
262.4587097167969	140.0
263.05438232421875	120.0
263.13616943359375	392.0
263.4556579589844	116.0
263.84918212890625	200.0
264.1481018066406	8712.0
264.26190185546875	96.0
264.2840881347656	208.0
264.51019287109375	148.0
264.68499755859375	160.0
265.1509094238281	1612.0
265.3182067871094	108.0
265.43536376953125	140.0
265.51458740234375	144.0
265.5977783203125	192.0
266.1565856933594	252.0
266.47540283203125	164.0
267.02801513671875	164.0
267.16888427734375	328.0
268.05023193359375	164.0
268.1545104980469	208.0
269.4261779785156	144.0
269.8846435546875	204.0
269.963134765625	168.0
270.70269775390625	164.0
271.1644287109375	156.0
271.5040588378906	152.0
272.04534912109375	112.0
272.1684265136719	160.0
272.6348876953125	192.0
272.8551025390625	140.0
272.8912658691406	140.0
273.4735412597656	156.0
274.6300048828125	164.0
275.1064758300781	152.0
275.6435241699219	220.0
276.10302734375	140.0
276.6368713378906	148.0
276.73834228515625	296.0
276.84429931640625	204.0
277.1545715332031	720.0
277.1969299316406	144.0
277.2441101074219	148.0
278.1548767089844	480.0
278.42840576171875	108.0
278.7151794433594	204.0
279.0682678222656	172.0
279.0941162109375	176.0
279.17083740234375	57096.0
279.53204345703125	140.0
279.57623291015625	140.0
279.6302795410156	124.0
279.685302734375	204.0
279.7287902832031	164.0
279.85748291015625	184.0
279.94696044921875	120.0
280.0302734375	160.0
280.1271057128906	216.0
280.1745910644531	7956.0
280.254150390625	208.0
281.17529296875	1248.0
281.2962646484375	176.0
281.84283447265625	164.0
281.9556884765625	96.0
281.9952697753906	104.0
282.0779113769531	140.0
282.47918701171875	168.0
282.9142150878906	204.0
282.9778137207031	144.0
283.20123291015625	156.0
283.88507080078125	136.0
284.0916442871094	136.0
284.8088073730469	140.0
285.1011047363281	140.0
286.04620361328125	180.0
286.19183349609375	2056.0
287.1920471191406	428.0
287.28289794921875	152.0
288.20452880859375	1312.0
288.8739929199219	140.0
289.21099853515625	228.0
289.36669921875	128.0
290.1590576171875	172.0
291.0973205566406	168.0
292.0251159667969	160.0
292.1747741699219	204.0
292.6955261230469	188.0
293.1383361816406	156.0
293.25079345703125	164.0
294.1546936035156	168.0
294.66693115234375	148.0
295.1648254394531	216.0
295.27197265625	152.0
296.0419616699219	156.0
296.56488037109375	140.0
296.9981689453125	148.0
297.10107421875	156.0
297.1868591308594	212.0
297.3309631347656	160.0
297.35498046875	212.0
297.8116149902344	184.0
299.7106018066406	164.0
299.749267578125	124.0
299.9173583984375	160.0
301.23388671875	164.0
301.6812744140625	144.0
301.83685302734375	168.0
302.61187744140625	152.0
304.2021484375	3724.0
304.5316467285156	152.0
305.2035827636719	1652.0
305.6529846191406	120.0
306.06109619140625	156.0
306.20977783203125	308.0
306.9632873535156	148.0
307.16558837890625	176.0
307.59014892578125	152.0
307.6983642578125	144.0
308.16986083984375	144.0
308.7291259765625	156.0
309.9697570800781	108.0
310.0853271484375	220.0
310.3223571777344	148.0
310.89410400390625	164.0
311.9020690917969	176.0
312.9011535644531	172.0
313.0314025878906	200.0
313.6021423339844	160.0
314.15972900390625	156.0
314.3568420410156	152.0
314.4027099609375	140.0
314.9429016113281	204.0
315.3810119628906	164.0
315.75933837890625	164.0
316.0777282714844	160.0
316.1767883300781	160.0
316.2546691894531	176.0
317.0196533203125	196.0
317.6418762207031	124.0
317.7181396484375	156.0
318.29718017578125	140.0
318.4529113769531	156.0
319.1368408203125	164.0
319.47808837890625	264.0
319.6296081542969	176.0
319.6580810546875	156.0
320.0657653808594	128.0
320.5376281738281	168.0
320.8797912597656	144.0
320.9582214355469	164.0
321.1401062011719	192.0
321.50042724609375	228.0
321.85223388671875	144.0
322.0367126464844	168.0
322.39678955078125	140.0
323.2872619628906	152.0
323.365966796875	172.0
324.3868103027344	204.0
324.7730407714844	128.0
324.8457946777344	244.0
325.10772705078125	168.0
325.18414306640625	188.0
325.4189758300781	180.0
325.9388122558594	100.0
327.05206298828125	236.0
327.79754638671875	224.0
328.3382873535156	176.0
328.9367980957031	172.0
329.0310974121094	140.0
329.38861083984375	148.0
330.44580078125	144.0
330.5563659667969	164.0
330.84228515625	140.0
331.0595397949219	144.0
331.15008544921875	148.0
331.6573181152344	156.0
331.8494567871094	168.0
331.92559814453125	168.0
332.10693359375	152.0
332.2556457519531	188.0
332.7020263671875	156.0
333.61749267578125	192.0
334.30816650390625	112.0
334.4832763671875	144.0
334.9457092285156	140.0
335.2007141113281	148.0
336.6927490234375	140.0
336.94805908203125	200.0
337.0799560546875	156.0
337.3299865722656	176.0
337.6612243652344	164.0
338.5798034667969	240.0
340.0499572753906	180.0
341.02325439453125	172.0
341.1813049316406	152.0
343.3963317871094	144.0
343.5713806152344	156.0
344.0542297363281	144.0
344.4647521972656	152.0
344.9488220214844	148.0
345.08929443359375	148.0
345.2889709472656	184.0
345.59112548828125	152.0
345.8624572753906	140.0
346.4989929199219	164.0
346.7217102050781	176.0
347.9569091796875	152.0
348.03253173828125	164.0
348.48345947265625	140.0
348.592041015625	140.0
348.9025573730469	164.0
349.05267333984375	136.0
349.1632080078125	164.0
349.2835693359375	168.0
350.1582336425781	212.0
350.3154602050781	228.0
350.4784851074219	124.0
351.32513427734375	132.0
351.3734130859375	280.0
351.4236755371094	144.0
352.12371826171875	204.0
352.2127685546875	128.0
352.28057861328125	176.0
352.60736083984375	108.0
353.96893310546875	104.0
354.293212890625	152.0
354.3681335449219	156.0
354.754150390625	152.0
355.1883544921875	160.0
355.2528991699219	160.0
355.4292297363281	148.0
355.7069396972656	256.0
355.8646240234375	156.0
357.52606201171875	160.0
357.7707214355469	184.0
359.24041748046875	156.0
359.61773681640625	172.0
359.9400939941406	144.0
360.2010192871094	152.0
361.5212097167969	140.0
362.46539306640625	140.0
362.81787109375	144.0
362.88494873046875	104.0
363.36962890625	124.0
363.4550476074219	164.0
363.61065673828125	148.0
363.8421936035156	192.0
363.96746826171875	156.0
364.20294189453125	212.0
364.36627197265625	184.0
365.8479919433594	156.0
365.96746826171875	148.0
366.45880126953125	140.0
366.6108093261719	184.0
366.8225402832031	128.0
367.2059326171875	148.0
367.404296875	148.0
367.80877685546875	188.0
368.51910400390625	156.0
369.042724609375	172.0
370.1333312988281	124.0
370.6771240234375	156.0
371.5858459472656	144.0
371.93505859375	152.0
372.44573974609375	204.0
372.5492858886719	180.0
372.90679931640625	148.0
373.4721374511719	100.0
373.56024169921875	132.0
374.11846923828125	144.0
374.4996643066406	188.0
374.995361328125	116.0
375.5863037109375	260.0
376.6171875	376.0
377.45965576171875	236.0
377.5602111816406	156.0
378.0128173828125	152.0
379.1823425292969	144.0
379.24822998046875	168.0
379.3877868652344	180.0
379.7165832519531	196.0
380.69000244140625	140.0
381.0837707519531	148.0
381.3635559082031	220.0
381.4996032714844	188.0
382.1937255859375	124.0
382.40203857421875	188.0
383.06396484375	148.0
383.16912841796875	144.0
383.1964111328125	172.0
383.26654052734375	140.0
383.5159606933594	192.0
384.03143310546875	176.0
384.88134765625	160.0
384.93048095703125	128.0
385.3461608886719	140.0
386.45135498046875	136.0
386.6247863769531	144.0
386.9770812988281	168.0
387.435302734375	140.0
387.47637939453125	164.0
387.6311950683594	168.0
387.7291564941406	176.0
388.2701721191406	156.0
388.33685302734375	192.0
389.21197509765625	140.0
389.6385803222656	168.0
390.50762939453125	160.0
390.8550109863281	156.0
391.6955261230469	128.0
392.06787109375	168.0
392.20062255859375	136.0
392.6986389160156	164.0
392.7854309082031	196.0
392.9936218261719	124.0
393.0655517578125	156.0
393.9617614746094	196.0
394.0723876953125	144.0
394.16326904296875	144.0
394.4399108886719	144.0
395.1913146972656	140.0
395.34564208984375	148.0
395.4564514160156	152.0
395.961669921875	192.0
395.9949035644531	168.0
397.0689392089844	156.0
397.464599609375	108.0
397.7950439453125	180.0
398.2397766113281	144.0
399.6988830566406	132.0
399.9972229003906	176.0
400.25347900390625	164.0
400.4073486328125	144.0
400.8924255371094	136.0
401.0687255859375	144.0
401.4115905761719	156.0
401.4793701171875	148.0
401.5272216796875	144.0
402.0592041015625	180.0
402.1667785644531	176.0
402.3891296386719	148.0
403.1920166015625	168.0
403.5317687988281	176.0
403.6885070800781	160.0
403.8516845703125	164.0
403.9156799316406	252.0
404.11572265625	144.0
404.331787109375	172.0
404.99066162109375	164.0
405.4161071777344	164.0
405.4706115722656	192.0
406.52789306640625	144.0
408.23516845703125	192.0
410.08306884765625	144.0
410.2449035644531	956.0
410.3894348144531	156.0
410.8436584472656	128.0
411.2469177246094	664.0
411.6483459472656	176.0
412.24285888671875	144.0
413.32281494140625	100.0
413.56060791015625	164.0
413.8387145996094	200.0
413.9371032714844	192.0
414.5649719238281	156.0
415.04736328125	180.0
415.3717956542969	140.0
415.4813232421875	176.0
416.1212463378906	160.0
416.3052673339844	212.0
417.0716857910156	168.0
417.3373718261719	164.0
417.7183532714844	184.0
417.78619384765625	144.0
417.8905334472656	140.0
419.7540588378906	124.0
420.2454833984375	140.0
420.94647216796875	148.0
421.0089416503906	128.0
421.3342590332031	204.0
421.65020751953125	140.0
421.8382263183594	156.0
422.1407775878906	172.0
422.2634582519531	168.0
422.5989074707031	152.0
422.6375732421875	204.0
422.6785888671875	96.0
422.73260498046875	100.0
422.96160888671875	120.0
423.2065734863281	112.0
423.3704833984375	120.0
423.4761962890625	180.0
423.68243408203125	116.0
423.8067321777344	140.0
424.15899658203125	232.0
424.247802734375	104.0
424.3713073730469	144.0
424.56036376953125	160.0
424.66778564453125	180.0
424.876220703125	140.0
425.04425048828125	148.0
425.16412353515625	6536.0
425.2948303222656	148.0
425.33026123046875	124.0
425.3741760253906	128.0
425.4113464355469	204.0
425.51824951171875	256.0
425.5632629394531	156.0
425.6140441894531	192.0
425.689208984375	208.0
425.74755859375	236.0
425.8483581542969	120.0
425.94775390625	168.0
426.0112609863281	116.0
426.05877685546875	132.0
426.110595703125	180.0
426.1654357910156	2568.0
426.24267578125	316.0
426.2967834472656	196.0
426.3340759277344	424.0
426.37530517578125	176.0
426.40618896484375	152.0
426.4512634277344	336.0
426.48602294921875	164.0
426.5453796386719	148.0
426.5869445800781	248.0
426.6527099609375	212.0
426.69122314453125	328.0
426.7327880859375	264.0
426.8040771484375	248.0
426.893310546875	152.0
426.943359375	184.0
427.0325012207031	272.0
427.0568542480469	552.0
427.12237548828125	424.0
427.17022705078125	924.0
427.23663330078125	488.0
427.2804870605469	248.0
427.3809509277344	196.0
427.45355224609375	420.0
427.5648193359375	448.0
427.61749267578125	444.0
427.6497497558594	220.0
427.7140808105469	188.0
427.7857360839844	420.0
427.81427001953125	316.0
427.8603820800781	432.0
427.8736267089844	152.0
427.9231262207031	444.0
427.9358215332031	484.0
428.0032653808594	308.0
428.0365905761719	368.0
428.0798034667969	808.0
428.1116027832031	788.0
428.19219970703125	860.0
428.25738525390625	246300.0
428.5001220703125	112.0
428.5467224121094	288.0
428.6400146484375	1468.0
428.7057189941406	836.0
428.7741394042969	812.0
428.8250427246094	324.0
428.8795166015625	1148.0
428.9488220214844	6708.0
429.01654052734375	472.0
429.0813903808594	428.0
429.2054138183594	544.0
429.2593688964844	184076.0
429.39202880859375	336.0
429.52886962890625	256.0
429.5888977050781	216.0
429.6557922363281	376.0
429.70062255859375	352.0
429.7467041015625	328.0
429.82464599609375	124.0
429.8713684082031	256.0
429.940185546875	2864.0
430.00164794921875	552.0
430.049072265625	172.0
430.1356506347656	156.0
430.1797790527344	216.0
430.20013427734375	256.0
430.26177978515625	41024.0
430.37994384765625	144.0
430.4560852050781	284.0
430.552001953125	272.0
430.61077880859375	140.0
430.66534423828125	252.0
430.69586181640625	156.0
430.7396545410156	152.0
430.78973388671875	228.0
430.9460754394531	216.0
430.988525390625	152.0
431.056396484375	228.0
431.1695861816406	128.0
431.2622985839844	2864.0
431.3323059082031	304.0
431.39141845703125	164.0
431.4488830566406	128.0
431.47650146484375	268.0
431.53350830078125	112.0
431.5987243652344	316.0
431.64520263671875	508.0
431.6945495605469	400.0
431.8068542480469	200.0
431.87066650390625	428.0
431.9029846191406	252.0
431.9684143066406	264.0
432.01531982421875	360.0
432.0665283203125	216.0
432.1266784667969	360.0
432.1781921386719	300.0
432.254638671875	216.0
432.3354187011719	208.0
432.4275817871094	152.0
432.4858093261719	144.0
432.57855224609375	172.0
432.63201904296875	112.0
432.6829528808594	328.0
432.7377624511719	236.0
432.78009033203125	160.0
432.8912048339844	300.0
432.9541931152344	100.0
432.99798583984375	172.0
433.02996826171875	112.0
433.0591735839844	132.0
433.19293212890625	100.0
433.294189453125	152.0
433.66937255859375	96.0
433.8583984375	124.0
433.9968566894531	144.0
434.09515380859375	96.0
434.15753173828125	140.0
434.251220703125	128.0
434.89471435546875	104.0
435.8035583496094	96.0
438.9596862792969	112.0
440.5024719238281	108.0
440.667724609375	152.0
442.9518737792969	156.0
443.1074523925781	152.0
443.9189147949219	164.0
444.78009033203125	164.0
447.84820556640625	164.0
450.1461486816406	100.0
455.9620056152344	132.0
473.78082275390625	140.0
492.98199462890625	132.0
528.2828369140625	112.0
536.8191528320312	152.0
549.8926391601562	148.0
557.1605834960938	144.0
558.577880859375	132.0
560.0482177734375	148.0
570.1541137695312	144.0
603.8326416015625	160.0
615.3890991210938	152.0
616.368408203125	192.0
679.8914794921875	124.0
747.129638671875	96.0
858.4651489257812	124.0
896.8987426757812	148.0
1174.9495849609375	220.0
1208.353271484375	176.0
1274.916015625	232.0
1294.3046875	152.0
1307.642822265625	164.0
1308.2684326171875	248.0
1312.8443603515625	148.0
1313.01025390625	220.0
1314.0272216796875	152.0
1320.5718994140625	172.0
1328.5252685546875	152.0
1337.8271484375	196.0
1349.8291015625	212.0
1353.34130859375	220.0
1353.7293701171875	144.0
1355.033203125	156.0
1369.843505859375	156.0
1409.5965576171875	176.0
1433.66259765625	144.0
1434.1826171875	204.0
1447.918212890625	164.0
1452.488525390625	172.0
1459.5438232421875	172.0
1467.22607421875	152.0
1472.2542724609375	148.0
1477.7425537109375	152.0
1479.3497314453125	148.0
1479.9698486328125	140.0
1484.49072265625	160.0
1493.4378662109375	184.0
1499.25830078125	220.0
1502.705078125	172.0
1504.48779296875	156.0
1514.0369873046875	180.0
1514.0989990234375	152.0
1517.7642822265625	156.0
1523.686279296875	160.0
1538.76416015625	196.0
1549.9488525390625	208.0
1564.8408203125	144.0
1565.7542724609375	148.0
1571.4296875	152.0
1574.587158203125	156.0
1577.155029296875	160.0
1587.5079345703125	100.0
1588.747802734375	148.0
1588.9779052734375	156.0
1589.3746337890625	172.0
1592.1529541015625	192.0
1603.1630859375	152.0
1603.3782958984375	156.0
1612.316650390625	224.0
1616.56298828125	160.0
1625.81884765625	148.0
1627.42431640625	216.0
1638.5797119140625	156.0
1641.336181640625	148.0
1643.45751953125	204.0
1648.2779541015625	256.0
1656.0037841796875	156.0
1672.339599609375	160.0
1681.2637939453125	140.0
1683.4598388671875	148.0
1683.708984375	180.0
1690.2772216796875	156.0
1696.8133544921875	172.0
1700.2584228515625	164.0
1706.460205078125	224.0
1707.389404296875	160.0
1714.7578125	144.0
1722.6624755859375	176.0
1722.7203369140625	160.0
1726.704345703125	144.0
1727.241943359375	216.0
1728.0775146484375	172.0
1728.2257080078125	256.0
1730.908203125	168.0
1731.72802734375	252.0
1734.0396728515625	160.0
1738.40185546875	164.0
1739.9456787109375	152.0
1746.4605712890625	172.0
1750.08056640625	204.0
1780.7877197265625	200.0
1781.123779296875	164.0
1781.2833251953125	228.0
1785.4649658203125	156.0
1787.6983642578125	176.0
1787.8245849609375	204.0
1791.647216796875	144.0
1793.8045654296875	144.0
1797.7010498046875	188.0
1799.6087646484375	172.0
1803.1270751953125	160.0
1809.1622314453125	196.0
1821.916748046875	184.0
1831.563232421875	140.0
1832.951904296875	188.0
1836.1741943359375	160.0
1844.3365478515625	156.0
1845.4991455078125	172.0
1845.8839111328125	140.0
1847.26953125	176.0
1848.638427734375	172.0
1858.175048828125	140.0
1859.402099609375	144.0
1861.642822265625	172.0
1862.3040771484375	204.0
1862.8624267578125	184.0
1866.3087158203125	148.0
1866.4720458984375	144.0
1869.534423828125	164.0
1869.6204833984375	152.0
1875.114990234375	180.0
1877.4771728515625	168.0
1877.934326171875	164.0
1884.6763916015625	208.0
1885.272705078125	196.0
1889.7603759765625	184.0
1893.86376953125	220.0
1897.196044921875	272.0
1902.9691162109375	192.0
1903.04736328125	168.0
1903.60302734375	176.0
1906.5045166015625	172.0
1914.525390625	160.0
1915.7969970703125	172.0
1918.8385009765625	160.0
1919.9110107421875	172.0
1923.2613525390625	180.0
1923.374755859375	152.0
1932.9620361328125	444.0
1936.244873046875	168.0
1937.9267578125	144.0
1945.29345703125	200.0
1946.7860107421875	172.0
1948.9444580078125	136.0
1952.78857421875	180.0
1956.28173828125	192.0
1963.498046875	160.0
1970.1004638671875	164.0
1971.2578125	272.0
1971.823486328125	180.0
1976.466064453125	172.0
1977.90869140625	172.0
1989.3436279296875	192.0
1990.47119140625	228.0
1994.1934814453125	144.0
1996.3182373046875	140.0
2003.0645751953125	228.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078968
PEPMASS=342.153564
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=LEVOSULPIRIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCN1CCC[C@H]1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N
INCHI=InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
INCHIAUX=BGRJTUBHPOOWDU-NSHDSACASA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078968
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078968
SCANS=981
46.01050567626953	140.0
46.03886413574219	156.0
48.0799446105957	152.0
48.2885627746582	148.0
48.654380798339844	236.0
50.155426025390625	140.0
50.36143112182617	176.0
50.40522766113281	160.0
50.905269622802734	168.0
51.04310607910156	144.0
51.439178466796875	156.0
51.473445892333984	164.0
53.35232925415039	240.0
55.047603607177734	140.0
56.692935943603516	156.0
57.003570556640625	144.0
57.307518005371094	160.0
58.99281311035156	176.0
59.725128173828125	196.0
60.185916900634766	224.0
60.45798110961914	224.0
60.48893737792969	152.0
60.681034088134766	196.0
61.00239562988281	148.0
61.477439880371094	196.0
62.16756820678711	172.0
63.413482666015625	188.0
63.46104049682617	176.0
64.13189697265625	168.0
64.8463363647461	180.0
65.39402770996094	220.0
66.08955383300781	148.0
66.43302154541016	144.0
67.90924835205078	156.0
68.17028045654297	156.0
68.56194305419922	156.0
69.99510192871094	152.0
70.23153686523438	212.0
70.49365234375	308.0
70.9648208618164	172.0
70.9975357055664	168.0
71.27283477783203	208.0
72.69125366210938	148.0
72.7251968383789	152.0
73.13993072509766	212.0
73.42105865478516	184.0
75.76045989990234	188.0
76.30216979980469	168.0
77.17192840576172	140.0
77.40814208984375	156.0
77.46244049072266	160.0
79.25949096679688	168.0
79.72086334228516	180.0
80.38865661621094	196.0
80.74237060546875	168.0
81.8982162475586	164.0
81.97648620605469	136.0
82.01714324951172	156.0
82.47380065917969	168.0
82.5750503540039	168.0
82.67636108398438	152.0
83.08586120605469	144.0
84.4795150756836	168.0
85.40585327148438	172.0
85.5328140258789	152.0
86.9671630859375	152.0
87.0135726928711	164.0
88.07853698730469	140.0
88.1759262084961	164.0
88.95886993408203	160.0
88.98890686035156	204.0
89.15984344482422	180.0
89.44196319580078	212.0
89.6321792602539	152.0
89.64913940429688	160.0
92.1405258178711	160.0
92.2188720703125	152.0
93.83905792236328	140.0
94.1864242553711	172.0
94.4551010131836	164.0
95.39558410644531	208.0
95.79450225830078	152.0
97.0065689086914	172.0
97.65797424316406	144.0
97.70518493652344	156.0
98.09600067138672	1864.0
98.22327423095703	156.0
98.2370834350586	140.0
98.26272583007812	184.0
99.01189422607422	152.0
99.09949493408203	260.0
99.30323028564453	156.0
99.89315795898438	164.0
99.94090270996094	204.0
100.8802490234375	184.0
101.03623962402344	160.0
101.52095794677734	156.0
102.13150787353516	144.0
102.80239868164062	188.0
103.23470306396484	148.0
103.52407836914062	200.0
104.50042724609375	224.0
104.54926300048828	224.0
105.75953674316406	176.0
106.17955017089844	140.0
106.28006744384766	140.0
106.90267944335938	184.0
107.05394744873047	224.0
107.61686706542969	192.0
108.60713958740234	176.0
110.0972900390625	572.0
110.43589782714844	156.0
110.60747528076172	148.0
111.09609985351562	156.0
111.33710479736328	172.0
111.37490844726562	176.0
111.8332748413086	160.0
112.01856994628906	168.0
112.11266326904297	33212.0
112.21715545654297	156.0
112.80567169189453	180.0
113.0873794555664	180.0
113.1149673461914	2004.0
113.15261840820312	208.0
113.99468231201172	144.0
114.02110290527344	100.0
114.11583709716797	308.0
116.22183227539062	160.0
116.58688354492188	164.0
116.88148498535156	160.0
117.77616119384766	160.0
117.89282989501953	172.0
118.1977310180664	184.0
118.8195571899414	144.0
120.04631042480469	168.0
120.21209716796875	148.0
121.051513671875	180.0
121.86968231201172	204.0
124.05237579345703	228.0
124.42951202392578	144.0
126.01750183105469	144.0
126.52045440673828	180.0
127.11690521240234	180.0
127.5301284790039	144.0
128.13095092773438	296.0
129.79672241210938	188.0
130.12252807617188	276.0
130.20973205566406	144.0
130.28697204589844	180.0
132.2869415283203	144.0
133.02735900878906	148.0
133.59036254882812	192.0
133.7077178955078	168.0
134.0301055908203	164.0
134.21681213378906	160.0
135.0345001220703	136.0
138.984375	404.0
139.84776306152344	152.0
141.7583465576172	168.0
143.1194305419922	152.0
143.1406707763672	228.0
144.72634887695312	156.0
146.06549072265625	168.0
146.36390686035156	168.0
148.39593505859375	176.0
150.05650329589844	140.0
150.58602905273438	176.0
151.0399627685547	388.0
152.0946044921875	148.0
152.29071044921875	160.0
154.3633270263672	152.0
154.77655029296875	148.0
155.58729553222656	140.0
155.865478515625	176.0
156.29066467285156	160.0
156.35287475585938	164.0
156.69898986816406	144.0
158.0948028564453	160.0
158.76869201660156	156.0
159.15261840820312	200.0
160.39540100097656	184.0
160.45590209960938	168.0
161.09942626953125	156.0
162.4334716796875	148.0
163.4420623779297	156.0
163.62022399902344	148.0
164.2471160888672	204.0
164.39764404296875	160.0
164.4920654296875	156.0
164.86752319335938	204.0
165.64276123046875	144.0
166.02890014648438	364.0
166.8360137939453	152.0
166.86172485351562	176.0
167.02207946777344	180.0
168.28392028808594	156.0
169.1525421142578	164.0
169.3519287109375	176.0
169.72509765625	176.0
169.9896697998047	144.0
170.5636444091797	148.0
170.6342010498047	140.0
170.99740600585938	300.0
171.03704833984375	152.0
171.25576782226562	176.0
173.5187530517578	144.0
174.08551025390625	168.0
175.02359008789062	156.0
175.77285766601562	144.0
176.0157012939453	156.0
176.57858276367188	160.0
176.803466796875	196.0
177.1397247314453	144.0
177.4709930419922	224.0
177.6884765625	172.0
178.58367919921875	172.0
179.33717346191406	156.0
180.11895751953125	176.0
180.2151336669922	152.0
180.5492706298828	164.0
180.79539489746094	160.0
180.8205108642578	156.0
181.12738037109375	204.0
181.47576904296875	256.0
183.0045623779297	236.0
183.44639587402344	188.0
184.02084350585938	296.0
185.01864624023438	140.0
186.13026428222656	216.0
187.34054565429688	172.0
187.82896423339844	164.0
188.07679748535156	180.0
188.3689727783203	148.0
189.20303344726562	216.0
189.44439697265625	144.0
189.47415161132812	148.0
190.170654296875	144.0
191.25656127929688	148.0
192.2926788330078	160.0
193.04409790039062	224.0
194.12408447265625	152.0
194.27662658691406	188.0
195.6689453125	156.0
195.71070861816406	156.0
196.23451232910156	144.0
196.99142456054688	148.0
197.06903076171875	152.0
197.26466369628906	148.0
197.76535034179688	140.0
199.00180053710938	508.0
199.5747833251953	176.0
199.85604858398438	164.0
200.03814697265625	400.0
200.06712341308594	172.0
201.04800415039062	140.0
201.19760131835938	160.0
201.6099853515625	196.0
201.64389038085938	188.0
202.0386199951172	148.0
202.62863159179688	188.0
203.49365234375	156.0
204.09494018554688	160.0
204.42311096191406	140.0
204.58535766601562	144.0
205.7855987548828	180.0
205.83984375	236.0
206.17694091796875	144.0
207.16693115234375	180.0
208.20245361328125	128.0
208.37184143066406	152.0
208.78575134277344	216.0
209.10797119140625	168.0
210.61880493164062	156.0
211.2142333984375	176.0
211.6148223876953	180.0
212.17274475097656	152.0
212.86329650878906	152.0
213.02503967285156	156.0
213.51715087890625	148.0
213.90557861328125	136.0
213.95663452148438	188.0
213.97988891601562	148.0
214.01773071289062	72484.0
214.13482666015625	188.0
214.24610900878906	100.0
214.29977416992188	124.0
214.4075164794922	136.0
214.52493286132812	136.0
214.91830444335938	140.0
215.02041625976562	4052.0
215.43907165527344	128.0
216.01513671875	2560.0
216.17185974121094	188.0
216.4071044921875	140.0
216.69171142578125	176.0
216.71571350097656	112.0
216.8278350830078	140.0
217.00958251953125	176.0
218.19276428222656	160.0
218.63986206054688	212.0
220.147216796875	152.0
220.6544952392578	224.0
221.39718627929688	168.0
223.00816345214844	140.0
223.46910095214844	228.0
225.90049743652344	180.0
226.04554748535156	148.0
226.19674682617188	224.0
229.3145294189453	224.0
229.62506103515625	196.0
230.0191650390625	136.0
230.07164001464844	188.0
230.39175415039062	140.0
230.9509735107422	164.0
231.0404510498047	576.0
231.0749969482422	216.0
231.84410095214844	172.0
232.04933166503906	204.0
233.64163208007812	180.0
233.90333557128906	140.0
234.23483276367188	152.0
234.48204040527344	164.0
234.51861572265625	140.0
234.64968872070312	184.0
234.860107421875	188.0
234.92466735839844	144.0
234.9752655029297	112.0
235.0828094482422	164.0
235.3499298095703	148.0
237.80657958984375	168.0
240.26211547851562	164.0
240.79920959472656	188.0
241.59669494628906	176.0
243.43316650390625	124.0
244.45220947265625	180.0
245.6569061279297	224.0
246.40614318847656	220.0
246.94345092773438	140.0
247.00949096679688	172.0
248.69210815429688	160.0
249.18197631835938	152.0
249.25424194335938	156.0
249.48052978515625	168.0
250.38987731933594	184.0
250.5883331298828	196.0
251.0138397216797	248.0
252.25144958496094	144.0
253.43190002441406	156.0
255.3651580810547	152.0
255.64193725585938	196.0
255.9220428466797	148.0
256.10675048828125	156.0
256.7569274902344	164.0
257.0089416503906	156.0
259.28253173828125	156.0
261.4277648925781	144.0
261.720703125	140.0
262.1136779785156	304.0
262.63916015625	184.0
262.93597412109375	228.0
263.8307189941406	240.0
265.4171447753906	144.0
266.39080810546875	140.0
267.82855224609375	168.0
268.3766784667969	204.0
269.09381103515625	156.0
269.4661560058594	192.0
269.9172058105469	152.0
270.6435852050781	156.0
271.6694030761719	192.0
273.57830810546875	164.0
274.6166687011719	148.0
274.8376770019531	140.0
276.1557922363281	208.0
276.6360168457031	152.0
277.1754150390625	236.0
277.71246337890625	168.0
278.03759765625	188.0
278.7017517089844	224.0
279.3843994140625	180.0
280.0623474121094	160.0
280.3255615234375	140.0
280.482177734375	168.0
280.80560302734375	176.0
283.9158935546875	152.0
284.0030822753906	140.0
285.09002685546875	428.0
287.37384033203125	168.0
287.5763244628906	212.0
288.045654296875	144.0
288.126708984375	196.0
288.6066589355469	172.0
289.8522644042969	184.0
290.3370056152344	172.0
291.0292663574219	140.0
291.6849365234375	188.0
292.41046142578125	104.0
294.4652404785156	140.0
294.6236572265625	188.0
296.7510986328125	148.0
296.9053955078125	148.0
297.08831787109375	536.0
298.12408447265625	152.0
299.0979919433594	144.0
299.2557678222656	192.0
299.43829345703125	152.0
300.8658142089844	212.0
301.2283935546875	236.0
302.80218505859375	168.0
303.7071533203125	192.0
303.99127197265625	172.0
304.7586364746094	156.0
305.03668212890625	144.0
305.4122009277344	168.0
306.43914794921875	172.0
308.4842224121094	172.0
309.42877197265625	204.0
309.95062255859375	196.0
310.4554138183594	184.0
311.0027160644531	176.0
311.65240478515625	180.0
311.95111083984375	148.0
312.1796569824219	192.0
312.73199462890625	196.0
312.8235168457031	160.0
314.11322021484375	276.0
314.240234375	156.0
314.5048828125	192.0
314.80499267578125	172.0
314.90386962890625	152.0
315.6328430175781	128.0
316.73248291015625	144.0
317.7771301269531	100.0
317.8882751464844	152.0
319.8465270996094	152.0
319.966796875	112.0
320.4305419921875	168.0
320.4626159667969	160.0
320.7120666503906	208.0
321.1542053222656	152.0
322.6897277832031	160.0
322.811279296875	144.0
323.5340270996094	232.0
324.13897705078125	160.0
324.2862548828125	160.0
324.66986083984375	188.0
325.1506042480469	148.0
325.57421875	188.0
326.15985107421875	200.0
326.5265808105469	184.0
327.81854248046875	156.0
328.01361083984375	168.0
329.6805114746094	132.0
331.0702209472656	148.0
331.1861267089844	144.0
332.1285095214844	164.0
334.58135986328125	156.0
334.8216857910156	164.0
335.0484924316406	132.0
335.4994201660156	236.0
338.048828125	144.0
338.1676025390625	128.0
338.30328369140625	136.0
338.37091064453125	156.0
338.42218017578125	152.0
338.6404113769531	136.0
338.729248046875	128.0
339.7999572753906	144.0
339.856201171875	284.0
339.92352294921875	132.0
340.131103515625	448.0
340.2074890136719	112.0
340.2620544433594	384.0
340.3345031738281	120.0
340.3663635253906	168.0
340.414794921875	100.0
340.4908142089844	184.0
340.7301940917969	120.0
340.7656555175781	116.0
340.86383056640625	208.0
340.9193115234375	152.0
340.95086669921875	248.0
341.0425109863281	164.0
341.1062316894531	328.0
341.183349609375	276.0
341.2558898925781	216.0
341.3119812011719	128.0
341.3823547363281	104.0
341.41876220703125	132.0
341.4574890136719	356.0
341.51123046875	192.0
341.56658935546875	132.0
341.6435546875	344.0
341.6757507324219	168.0
341.750732421875	204.0
341.8056945800781	224.0
341.86932373046875	320.0
341.91754150390625	408.0
341.95263671875	112.0
341.98193359375	268.0
342.03961181640625	260.0
342.073974609375	1020.0
342.1504821777344	225632.0
342.2439270019531	112.0
342.2708435058594	168.0
342.3789978027344	108.0
342.4291687011719	280.0
342.49822998046875	396.0
342.5756530761719	380.0
342.6299133300781	184.0
342.67828369140625	184.0
342.7095947265625	204.0
342.7566223144531	8908.0
342.7972106933594	536.0
342.82781982421875	272.0
342.8805847167969	364.0
342.9375	300.0
343.0150451660156	328.0
343.07830810546875	188.0
343.15203857421875	78312.0
343.271240234375	168.0
343.3343811035156	116.0
343.384033203125	136.0
343.4158630371094	252.0
343.4936218261719	256.0
343.5480651855469	152.0
343.6093444824219	168.0
343.68914794921875	228.0
343.7460632324219	268.0
343.8602294921875	124.0
343.90087890625	160.0
343.9522705078125	164.0
343.99615478515625	412.0
344.03997802734375	284.0
344.1476745605469	21212.0
344.2339172363281	136.0
344.3229675292969	108.0
344.400390625	164.0
344.5646667480469	192.0
344.60595703125	188.0
344.638916015625	168.0
344.6739501953125	176.0
344.8385009765625	200.0
344.9101867675781	288.0
344.99017333984375	164.0
345.042724609375	284.0
345.0699768066406	200.0
345.082763671875	156.0
345.1480407714844	2888.0
345.24810791015625	148.0
345.3179016113281	188.0
345.3484802246094	248.0
345.394775390625	192.0
345.41552734375	240.0
345.4603271484375	192.0
345.4952697753906	364.0
345.5259704589844	276.0
345.59808349609375	360.0
345.63031005859375	200.0
345.7701416015625	108.0
345.8387145996094	112.0
345.9446716308594	160.0
345.983154296875	192.0
346.10040283203125	148.0
346.14556884765625	284.0
346.2148742675781	116.0
346.3973083496094	124.0
346.4281311035156	132.0
346.46575927734375	148.0
346.7037353515625	204.0
346.737548828125	120.0
347.1605529785156	112.0
347.4148864746094	264.0
347.74810791015625	120.0
347.8941650390625	132.0
348.8577880859375	124.0
356.3500061035156	96.0
356.394775390625	96.0
356.5384216308594	112.0
357.50885009765625	116.0
358.2278137207031	132.0
360.93597412109375	140.0
424.9422302246094	148.0
488.01300048828125	148.0
577.1038208007812	140.0
793.05224609375	152.0
875.2682495117188	156.0
909.9213256835938	152.0
1254.7987060546875	148.0
1336.974853515625	160.0
1408.0120849609375	208.0
1442.45458984375	164.0
1505.4521484375	196.0
1513.9742431640625	212.0
1514.2684326171875	140.0
1534.7918701171875	140.0
1536.0787353515625	164.0
1563.05322265625	192.0
1567.273681640625	184.0
1588.612060546875	156.0
1605.4342041015625	204.0
1612.0999755859375	148.0
1614.322265625	176.0
1631.1429443359375	152.0
1641.4884033203125	232.0
1652.4410400390625	152.0
1662.4967041015625	184.0
1678.4322509765625	164.0
1707.758544921875	156.0
1740.451171875	152.0
1747.0584716796875	152.0
1754.2117919921875	224.0
1764.2626953125	156.0
1769.550048828125	148.0
1770.4962158203125	148.0
1787.453369140625	140.0
1796.8394775390625	164.0
1802.5302734375	212.0
1804.4404296875	172.0
1812.794677734375	152.0
1818.2305908203125	152.0
1829.89306640625	200.0
1844.224365234375	200.0
1863.076171875	196.0
1885.453125	140.0
1886.1099853515625	160.0
1914.9510498046875	140.0
1927.670654296875	164.0
1938.2060546875	180.0
1943.0545654296875	144.0
1945.055419921875	264.0
1962.615234375	176.0
1975.8634033203125	168.0
1984.294677734375	140.0
1994.7967529296875	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078969
PEPMASS=309.095795
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4-n12
INCHI=InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
INCHIAUX=VREFGVBLTWBCJP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078969
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078969
SCANS=1256
45.38462829589844	176.0
45.59162521362305	152.0
45.69516372680664	208.0
46.314796447753906	184.0
46.71251678466797	140.0
46.8636360168457	164.0
47.20487976074219	152.0
47.38145065307617	164.0
47.45682907104492	224.0
47.50482940673828	176.0
47.51637268066406	116.0
47.561092376708984	168.0
47.86079025268555	208.0
48.91436767578125	200.0
49.20991897583008	180.0
50.443416595458984	212.0
50.78750228881836	176.0
51.66070556640625	156.0
51.78810119628906	140.0
51.99025344848633	232.0
52.161170959472656	200.0
52.341007232666016	212.0
53.22014617919922	200.0
53.44398498535156	176.0
53.49492263793945	140.0
53.709129333496094	176.0
53.881385803222656	184.0
53.91353225708008	144.0
54.134429931640625	144.0
54.23991775512695	180.0
55.44706344604492	144.0
55.500431060791016	164.0
55.60723876953125	156.0
55.836036682128906	164.0
56.08020782470703	196.0
56.18608474731445	152.0
56.2174186706543	172.0
56.44597244262695	176.0
56.508792877197266	148.0
56.96303939819336	184.0
57.283447265625	148.0
57.46133804321289	220.0
57.650081634521484	148.0
58.070960998535156	148.0
59.41179275512695	144.0
60.799781799316406	204.0
60.98066711425781	160.0
61.39479446411133	152.0
61.54175567626953	224.0
61.750877380371094	168.0
62.16051483154297	116.0
62.78428649902344	144.0
63.614967346191406	232.0
63.66259765625	164.0
63.80242156982422	196.0
63.89784622192383	164.0
64.06182098388672	180.0
64.26428985595703	184.0
64.36006164550781	220.0
64.68460083007812	152.0
64.7524642944336	208.0
65.16089630126953	264.0
65.29109191894531	152.0
65.37152862548828	164.0
65.53416442871094	172.0
65.69054412841797	160.0
65.73662567138672	128.0
65.75508880615234	144.0
65.80835723876953	248.0
66.44554138183594	144.0
66.82621765136719	152.0
66.84085845947266	172.0
67.08027648925781	140.0
67.37401580810547	152.0
67.58771514892578	144.0
67.8338623046875	168.0
68.00444793701172	208.0
68.02085876464844	160.0
68.2196273803711	192.0
69.72377014160156	144.0
69.88260650634766	168.0
70.84002685546875	164.0
71.23088073730469	160.0
71.28507995605469	168.0
71.31489562988281	152.0
71.4376449584961	156.0
72.59790802001953	144.0
72.81013488769531	164.0
73.28813934326172	196.0
73.3904037475586	256.0
73.68909454345703	168.0
73.7420654296875	156.0
74.00208282470703	176.0
74.48226165771484	160.0
74.88129425048828	152.0
75.37813568115234	152.0
75.57698822021484	148.0
75.64866638183594	248.0
75.815673828125	148.0
75.86448669433594	140.0
76.02578735351562	176.0
76.54730224609375	144.0
77.6412582397461	212.0
78.10194396972656	112.0
78.13660430908203	168.0
78.90554809570312	148.0
79.31270599365234	140.0
79.53264617919922	172.0
79.68537139892578	152.0
79.99302673339844	188.0
80.19965362548828	152.0
80.34587860107422	140.0
80.72990417480469	200.0
81.07540893554688	188.0
81.18476104736328	156.0
81.3659896850586	140.0
81.829833984375	272.0
82.65927124023438	204.0
83.07321166992188	180.0
83.1639404296875	144.0
84.51798248291016	164.0
85.60098266601562	244.0
85.89017486572266	140.0
86.09335327148438	172.0
86.62232971191406	156.0
86.67605590820312	212.0
86.82250213623047	212.0
86.92267608642578	172.0
87.09532928466797	172.0
87.49700164794922	184.0
87.6329574584961	140.0
87.79960632324219	160.0
87.86041259765625	140.0
88.14421081542969	140.0
88.33303833007812	288.0
88.99271392822266	144.0
89.19561004638672	156.0
89.2275619506836	148.0
89.31594848632812	200.0
89.51732635498047	168.0
89.78681182861328	152.0
89.80755615234375	152.0
89.93963623046875	180.0
90.13226318359375	220.0
90.28916931152344	156.0
90.44242095947266	172.0
90.84223937988281	152.0
90.93901062011719	160.0
91.11370849609375	144.0
91.32661437988281	196.0
92.12822723388672	180.0
92.77020263671875	140.0
92.78746032714844	156.0
93.07525634765625	156.0
93.24815368652344	196.0
93.47262573242188	152.0
93.81476593017578	272.0
93.95869445800781	144.0
94.50933074951172	188.0
94.66224670410156	192.0
95.07515716552734	144.0
95.17027282714844	140.0
95.2499008178711	164.0
95.67382049560547	144.0
96.05577087402344	164.0
96.07917785644531	176.0
96.95555114746094	264.0
97.1526870727539	212.0
97.50074768066406	140.0
97.65409851074219	196.0
97.93101501464844	184.0
98.0616455078125	140.0
98.21543884277344	152.0
98.23855590820312	100.0
98.83576965332031	272.0
98.88128662109375	192.0
99.1427001953125	168.0
99.50370788574219	168.0
99.53746032714844	168.0
100.25359344482422	148.0
100.41307830810547	180.0
100.58068084716797	148.0
100.7743911743164	168.0
100.8123550415039	144.0
101.11833953857422	224.0
101.19778442382812	116.0
101.31456756591797	220.0
101.6353530883789	200.0
102.03302764892578	312.0
102.21693420410156	184.0
102.76815795898438	340.0
102.79493713378906	176.0
103.04432678222656	144.0
103.1478271484375	168.0
103.51199340820312	164.0
103.76526641845703	184.0
103.87274932861328	168.0
104.02899932861328	144.0
104.05083465576172	1056.0
104.20568084716797	148.0
104.3167495727539	184.0
104.494384765625	156.0
104.8853759765625	180.0
104.9730453491211	152.0
105.05462646484375	176.0
105.09747314453125	152.0
105.18727111816406	164.0
105.40375518798828	144.0
106.15355682373047	236.0
106.17550659179688	148.0
106.55730438232422	168.0
107.25904846191406	168.0
107.84938049316406	172.0
108.19784545898438	176.0
108.35430145263672	204.0
108.88947296142578	192.0
109.14349365234375	168.0
109.26123046875	208.0
109.44053649902344	184.0
109.72260284423828	136.0
109.80313110351562	216.0
110.01387023925781	200.0
110.0577163696289	188.0
110.27497100830078	172.0
110.74363708496094	172.0
110.99931335449219	160.0
111.32247161865234	152.0
111.35816955566406	192.0
111.3749771118164	172.0
111.65029907226562	164.0
111.88175964355469	144.0
111.93624114990234	132.0
111.9786148071289	236.0
112.08184051513672	164.0
112.29264831542969	164.0
112.36859130859375	144.0
112.58600616455078	144.0
112.77825927734375	200.0
113.28822326660156	168.0
113.31576538085938	296.0
113.57862854003906	212.0
113.83755493164062	200.0
114.67789459228516	152.0
115.07040405273438	180.0
115.18999481201172	176.0
115.24767303466797	180.0
115.99885559082031	180.0
116.05459594726562	236.0
116.2246322631836	176.0
116.4129409790039	160.0
116.88155364990234	148.0
117.06822204589844	156.0
117.46409606933594	172.0
117.73087310791016	172.0
117.79135131835938	156.0
117.91450500488281	192.0
118.12640380859375	144.0
118.74588012695312	144.0
118.94332122802734	140.0
119.14093017578125	248.0
119.46049499511719	148.0
119.73039245605469	168.0
120.04522705078125	196.0
121.01217651367188	176.0
121.19396209716797	160.0
121.21807098388672	160.0
121.40941619873047	196.0
121.94007873535156	176.0
121.9664535522461	160.0
122.15775299072266	144.0
122.62454986572266	192.0
123.13640594482422	144.0
123.27116394042969	168.0
123.29326629638672	180.0
123.46791076660156	204.0
123.91947937011719	240.0
124.33635711669922	140.0
124.6186294555664	168.0
124.69392395019531	200.0
124.70948028564453	200.0
124.7494888305664	156.0
124.91497039794922	140.0
125.52205657958984	180.0
125.77861785888672	164.0
125.89918518066406	148.0
125.91928100585938	164.0
126.5006332397461	212.0
126.88595581054688	148.0
127.04069519042969	180.0
127.14166259765625	148.0
127.92159271240234	140.0
128.04776000976562	1488.0
128.11300659179688	164.0
128.24143981933594	200.0
128.31808471679688	172.0
128.67739868164062	168.0
129.0089111328125	140.0
129.04759216308594	848.0
129.1287384033203	168.0
129.58599853515625	188.0
130.05206298828125	292.0
130.1517333984375	132.0
130.3085479736328	196.0
130.45066833496094	200.0
130.58253479003906	212.0
131.06161499023438	2528.0
131.46519470214844	140.0
131.9873046875	212.0
132.02618408203125	140.0
132.06454467773438	300.0
132.63233947753906	212.0
132.77505493164062	268.0
133.01162719726562	148.0
133.06187438964844	152.0
133.19737243652344	148.0
133.61026000976562	152.0
133.9034881591797	168.0
133.93572998046875	168.0
133.98495483398438	212.0
134.01834106445312	144.0
134.40371704101562	172.0
135.15162658691406	200.0
135.46490478515625	232.0
136.40936279296875	168.0
136.52328491210938	152.0
136.74197387695312	140.0
136.7838592529297	172.0
136.9095916748047	172.0
137.0120849609375	176.0
137.21482849121094	188.0
137.30343627929688	160.0
137.33633422851562	116.0
137.84503173828125	216.0
137.87074279785156	168.0
137.88710021972656	140.0
138.0101776123047	3904.0
138.3830108642578	188.0
138.42750549316406	164.0
138.47433471679688	164.0
138.6289520263672	176.0
138.9276885986328	184.0
139.0187225341797	376.0
139.16375732421875	152.0
139.26004028320312	196.0
139.4715118408203	164.0
140.0064697265625	868.0
140.05032348632812	180.0
140.52462768554688	180.0
141.05551147460938	236.0
141.2919921875	148.0
142.06349182128906	300.0
142.2493896484375	236.0
142.33731079101562	112.0
143.0052490234375	140.0
143.05960083007812	196.0
144.02096557617188	172.0
144.0543975830078	156.0
144.07720947265625	300.0
144.21449279785156	192.0
144.2967987060547	116.0
144.36900329589844	120.0
144.45361328125	156.0
144.96597290039062	148.0
145.0354766845703	196.0
145.07623291015625	228.0
146.0559539794922	160.0
146.34713745117188	172.0
146.8773193359375	164.0
147.05828857421875	172.0
148.32330322265625	176.0
148.53668212890625	212.0
148.5585174560547	248.0
148.91290283203125	140.0
148.95904541015625	216.0
149.3199005126953	172.0
149.3455352783203	196.0
149.43797302246094	156.0
149.6911163330078	180.0
149.8616180419922	144.0
149.96395874023438	212.0
150.09202575683594	140.0
150.13998413085938	160.0
150.64962768554688	148.0
150.81333923339844	356.0
150.8769073486328	160.0
151.05506896972656	276.0
151.36624145507812	148.0
151.6553192138672	196.0
152.02772521972656	516.0
152.04852294921875	100.0
152.25289916992188	176.0
152.37677001953125	140.0
152.789794921875	148.0
153.04774475097656	144.0
153.34384155273438	224.0
153.47203063964844	168.0
153.7310333251953	156.0
153.9186248779297	192.0
154.02174377441406	156.0
154.07176208496094	156.0
154.3658905029297	212.0
154.4326629638672	140.0
154.70237731933594	152.0
155.07176208496094	152.0
155.49803161621094	156.0
156.06040954589844	404.0
156.12905883789062	140.0
156.20616149902344	192.0
156.5172576904297	144.0
156.681640625	192.0
156.9732666015625	144.0
157.03062438964844	204.0
157.07302856445312	188.0
157.0894317626953	164.0
157.16282653808594	144.0
157.34751892089844	140.0
157.4973602294922	164.0
157.6822509765625	164.0
157.73223876953125	164.0
157.8424835205078	160.0
158.24256896972656	140.0
158.27696228027344	152.0
158.39031982421875	168.0
158.7712860107422	152.0
159.059814453125	140.0
159.08995056152344	172.0
159.29837036132812	248.0
159.49436950683594	144.0
160.07656860351562	144.0
160.37753295898438	160.0
160.51902770996094	176.0
160.6290283203125	136.0
160.81671142578125	160.0
160.84469604492188	192.0
160.86813354492188	196.0
160.98838806152344	176.0
161.5849151611328	168.0
161.92156982421875	164.0
162.0121612548828	592.0
162.6619415283203	184.0
162.87777709960938	152.0
163.00558471679688	1028.0
163.05445861816406	112.0
163.2239227294922	100.0
163.2971649169922	116.0
163.4065399169922	140.0
163.56178283691406	140.0
163.8225555419922	136.0
163.85208129882812	164.0
164.0091094970703	284.0
164.067626953125	204.0
164.6490478515625	208.0
164.6734619140625	172.0
164.7194366455078	144.0
165.02151489257812	7044.0
165.07017517089844	596.0
165.30810546875	96.0
165.92578125	168.0
166.02610778808594	460.0
166.07989501953125	324.0
166.12220764160156	140.0
166.27102661132812	148.0
166.2959747314453	156.0
166.72560119628906	172.0
167.0192413330078	2372.0
167.0624237060547	144.0
167.21681213378906	144.0
167.32492065429688	160.0
167.53094482421875	156.0
167.90469360351562	144.0
167.9422149658203	168.0
168.01609802246094	200.0
168.067138671875	176.0
168.7206268310547	176.0
169.07708740234375	560.0
169.16818237304688	184.0
169.68460083007812	188.0
170.0186767578125	208.0
170.0845947265625	216.0
170.1882781982422	168.0
170.5533447265625	148.0
170.63296508789062	108.0
171.07896423339844	1324.0
171.1178436279297	168.0
171.34703063964844	148.0
171.6702423095703	160.0
171.9154510498047	192.0
172.02767944335938	236.0
172.05953979492188	176.0
172.08677673339844	3416.0
172.12350463867188	140.0
172.45867919921875	160.0
172.73060607910156	264.0
173.0577392578125	148.0
173.08714294433594	344.0
173.41925048828125	204.0
173.93333435058594	140.0
174.29393005371094	144.0
174.43505859375	160.0
174.51129150390625	180.0
174.70065307617188	144.0
174.7374725341797	188.0
175.1665802001953	224.0
175.92604064941406	156.0
176.05943298339844	284.0
176.142578125	156.0
176.2535400390625	232.0
176.4226837158203	144.0
176.70301818847656	156.0
176.83041381835938	140.0
177.01937866210938	444.0
177.13717651367188	200.0
177.40481567382812	172.0
177.45518493652344	140.0
177.6262969970703	176.0
177.91233825683594	200.0
178.04092407226562	152.0
178.07704162597656	1012.0
178.37106323242188	152.0
179.02157592773438	272.0
179.07913208007812	108.0
179.98019409179688	144.0
180.0238037109375	108.0
180.0762481689453	260.0
180.3902587890625	204.0
180.69114685058594	180.0
181.0603485107422	172.0
181.41566467285156	96.0
181.66802978515625	136.0
181.69296264648438	140.0
181.80850219726562	144.0
182.01251220703125	156.0
182.2811279296875	256.0
182.43701171875	152.0
182.53648376464844	152.0
182.65048217773438	160.0
183.03175354003906	144.0
183.07469177246094	252.0
183.8348846435547	152.0
183.93370056152344	124.0
184.03463745117188	160.0
184.23448181152344	140.0
184.30322265625	172.0
184.5561065673828	140.0
185.0945587158203	204.0
185.19204711914062	152.0
185.24473571777344	168.0
185.38983154296875	204.0
185.45216369628906	172.0
185.71786499023438	184.0
185.82366943359375	172.0
186.18197631835938	152.0
186.2933349609375	152.0
186.76902770996094	140.0
186.82887268066406	164.0
187.5167999267578	168.0
187.71133422851562	156.0
188.02505493164062	228.0
188.6259307861328	188.0
188.8583526611328	148.0
189.01571655273438	160.0
189.0576934814453	172.0
189.75381469726562	152.0
189.923095703125	148.0
190.00856018066406	160.0
190.0363006591797	204.0
190.06573486328125	1444.0
190.2613525390625	160.0
190.37393188476562	196.0
190.57369995117188	180.0
190.89581298828125	144.0
191.07432556152344	2672.0
191.92864990234375	172.0
192.01412963867188	160.0
192.0323944091797	156.0
192.07647705078125	344.0
192.1492919921875	148.0
192.22984313964844	124.0
192.39491271972656	148.0
192.44461059570312	156.0
192.8396453857422	208.0
192.98062133789062	144.0
193.05831909179688	196.0
193.0889434814453	304.0
193.3125457763672	188.0
193.6309051513672	140.0
194.5412139892578	172.0
194.7347412109375	220.0
195.02647399902344	152.0
195.29896545410156	156.0
195.4123077392578	156.0
195.5475616455078	164.0
196.071044921875	268.0
196.17755126953125	132.0
197.0110626220703	116.0
197.0467987060547	192.0
197.08401489257812	1212.0
198.09115600585938	1236.0
198.51629638671875	196.0
198.90345764160156	152.0
199.03097534179688	1404.0
199.09378051757812	148.0
199.2348175048828	160.0
199.26773071289062	180.0
199.53271484375	160.0
199.61988830566406	176.0
199.6395721435547	168.0
199.9068145751953	176.0
200.01376342773438	156.0
200.0355682373047	280.0
200.09820556640625	152.0
200.48692321777344	140.0
200.9437255859375	148.0
201.0283660888672	324.0
201.14691162109375	144.0
201.20774841308594	160.0
202.02313232421875	100.0
202.07162475585938	128.0
202.45030212402344	140.0
202.48863220214844	224.0
202.52676391601562	140.0
202.55226135253906	168.0
202.82994079589844	160.0
203.0343780517578	400.0
203.07383728027344	520.0
203.9356231689453	148.0
204.0323486328125	1788.0
204.0806884765625	3652.0
204.1217041015625	152.0
204.3634796142578	196.0
204.48703002929688	212.0
204.7790985107422	216.0
205.03724670410156	336.0
205.0772247314453	16724.0
205.21926879882812	120.0
205.28916931152344	148.0
205.38406372070312	96.0
205.45950317382812	184.0
205.65660095214844	152.0
205.99420166015625	148.0
206.04808044433594	2908.0
206.08023071289062	3284.0
206.30853271484375	112.0
206.9134979248047	164.0
207.05340576171875	472.0
207.08056640625	252.0
207.64285278320312	148.0
207.8282012939453	196.0
208.0438232421875	768.0
208.07826232910156	368.0
208.34609985351562	140.0
209.050537109375	156.0
209.08438110351562	116.0
209.13687133789062	160.0
209.4507293701172	180.0
209.8888702392578	136.0
210.61314392089844	144.0
211.03794860839844	240.0
211.19471740722656	152.0
211.34744262695312	164.0
212.0343017578125	212.0
212.2337646484375	176.0
212.3323516845703	236.0
212.4657745361328	272.0
212.48899841308594	212.0
212.90406799316406	144.0
213.00572204589844	160.0
213.03085327148438	288.0
213.10740661621094	144.0
213.41549682617188	160.0
213.6336212158203	160.0
213.91879272460938	152.0
213.9770965576172	144.0
214.0438232421875	348.0
214.23330688476562	164.0
214.2886505126953	164.0
214.53054809570312	200.0
215.0549774169922	96.0
215.3294677734375	144.0
215.47315979003906	180.0
215.671875	196.0
215.97303771972656	140.0
216.03562927246094	252.0
216.06884765625	2792.0
216.86605834960938	188.0
217.032958984375	176.0
217.07684326171875	744.0
218.0552215576172	164.0
218.08863830566406	920.0
218.36048889160156	144.0
218.55169677734375	144.0
218.57229614257812	144.0
218.81008911132812	144.0
219.10269165039062	3032.0
219.77743530273438	104.0
220.01058959960938	156.0
220.10479736328125	448.0
220.45362854003906	180.0
220.94149780273438	140.0
220.9622039794922	256.0
221.08262634277344	412.0
221.4825897216797	152.0
221.9722137451172	188.0
222.0920867919922	296.0
222.3578643798828	164.0
223.2589569091797	168.0
223.54360961914062	184.0
223.69837951660156	196.0
224.02635192871094	6676.0
224.10865783691406	208.0
224.42530822753906	168.0
224.94525146484375	156.0
225.03048706054688	1316.0
225.38043212890625	160.0
225.81089782714844	148.0
225.852783203125	192.0
226.04283142089844	2304.0
226.22117614746094	136.0
226.26947021484375	176.0
226.2986602783203	160.0
226.63412475585938	176.0
226.9321746826172	344.0
227.04898071289062	5084.0
227.269775390625	168.0
227.40943908691406	140.0
227.56594848632812	112.0
228.0439453125	940.0
228.08189392089844	500.0
228.2339324951172	144.0
228.83351135253906	192.0
228.8838653564453	140.0
229.01637268066406	204.0
229.04803466796875	2208.0
229.2673797607422	140.0
229.40809631347656	156.0
229.5558319091797	188.0
230.05271911621094	268.0
230.56411743164062	140.0
230.91481018066406	164.0
231.0443115234375	232.0
231.08839416503906	240.0
231.74728393554688	176.0
232.04798889160156	484.0
232.08743286132812	1092.0
232.36578369140625	168.0
232.46119689941406	152.0
232.66017150878906	188.0
232.74127197265625	140.0
232.87879943847656	164.0
233.04232788085938	144.0
233.0944366455078	2124.0
233.94403076171875	172.0
234.0496063232422	312.0
234.09388732910156	688.0
234.59326171875	140.0
234.71876525878906	184.0
235.0589141845703	144.0
235.10430908203125	284.0
235.27113342285156	208.0
235.5164794921875	156.0
235.53785705566406	216.0
235.5745086669922	148.0
236.04212951660156	188.0
236.81639099121094	160.0
236.98793029785156	168.0
237.079345703125	732.0
237.28298950195312	148.0
237.53749084472656	140.0
237.61032104492188	144.0
237.7576141357422	144.0
238.04298400878906	1720.0
238.2703857421875	224.0
238.8329315185547	168.0
238.8667755126953	156.0
238.9515838623047	196.0
239.03904724121094	1336.0
239.9384307861328	156.0
240.04824829101562	3644.0
240.3332061767578	140.0
240.5832061767578	156.0
240.6295166015625	196.0
241.05345153808594	15072.0
241.2276611328125	116.0
241.26795959472656	116.0
241.3235321044922	152.0
241.5981903076172	100.0
241.77352905273438	152.0
241.9196014404297	132.0
242.0548858642578	3180.0
242.45761108398438	148.0
242.47930908203125	228.0
242.65908813476562	116.0
242.70249938964844	168.0
242.899169921875	172.0
243.05116271972656	3936.0
243.22988891601562	152.0
243.30917358398438	104.0
243.3385467529297	412.0
243.49691772460938	312.0
243.90830993652344	108.0
244.0557098388672	808.0
244.0935821533203	408.0
244.61314392089844	168.0
244.6536102294922	192.0
244.69407653808594	144.0
244.78749084472656	188.0
244.9013671875	140.0
244.9681396484375	160.0
245.10812377929688	2304.0
245.40756225585938	192.0
245.60543823242188	132.0
246.10594177246094	920.0
246.20326232910156	172.0
246.8246612548828	220.0
247.11033630371094	908.0
248.1080322265625	288.0
248.58241271972656	160.0
249.062744140625	148.0
249.1507110595703	152.0
250.02297973632812	164.0
250.37742614746094	140.0
251.037841796875	9064.0
251.11582946777344	136.0
251.54086303710938	144.0
251.8282012939453	164.0
251.93994140625	96.0
252.04405212402344	2368.0
252.58892822265625	136.0
252.6437225341797	144.0
252.67535400390625	176.0
252.91555786132812	128.0
253.04698181152344	1636.0
253.32630920410156	128.0
253.539794921875	168.0
253.6887664794922	196.0
253.75071716308594	132.0
253.84747314453125	140.0
254.0701141357422	904.0
254.16510009765625	104.0
254.50411987304688	184.0
254.59449768066406	156.0
254.72769165039062	120.0
254.9647216796875	152.0
255.068603515625	5324.0
255.1321563720703	136.0
255.16270446777344	136.0
255.57720947265625	144.0
255.62759399414062	144.0
255.75648498535156	148.0
256.0729064941406	1668.0
256.6414489746094	136.0
257.0676574707031	1724.0
257.1112060546875	164.0
257.21014404296875	184.0
258.0699768066406	292.0
258.2261962890625	216.0
258.4241943359375	200.0
259.0738220214844	168.0
259.18206787109375	96.0
259.744384765625	184.0
259.7901306152344	136.0
259.8641662597656	192.0
260.51800537109375	140.0
260.9054260253906	124.0
261.0386962890625	148.0
261.46331787109375	148.0
261.7079772949219	160.0
262.56512451171875	196.0
262.5909423828125	148.0
262.7683410644531	168.0
263.7403564453125	140.0
264.0572814941406	1544.0
264.0947570800781	132.0
264.4551696777344	140.0
264.67205810546875	196.0
264.78863525390625	160.0
264.8145446777344	144.0
265.06036376953125	280.0
265.55999755859375	144.0
266.011962890625	124.0
266.05902099609375	508.0
266.1343994140625	144.0
266.7809143066406	212.0
266.8199157714844	168.0
266.85125732421875	188.0
267.0672912597656	220.0
268.0604248046875	1220.0
268.1647033691406	156.0
269.0705871582031	204.0
269.71832275390625	232.0
269.9337158203125	188.0
270.0154724121094	180.0
270.0623779296875	388.0
270.8883056640625	120.0
271.0430603027344	124.0
271.1383972167969	208.0
271.2507629394531	140.0
271.3350830078125	176.0
271.4268798828125	212.0
271.53179931640625	188.0
272.0403137207031	284.0
272.1101379394531	312.0
272.572021484375	124.0
273.1139221191406	1840.0
273.1773986816406	192.0
273.9602966308594	116.0
274.1221618652344	33716.0
274.2333679199219	100.0
274.280517578125	188.0
274.32403564453125	216.0
274.6048278808594	288.0
274.85040283203125	160.0
274.92364501953125	112.0
275.124755859375	5808.0
275.19293212890625	204.0
275.2730712890625	164.0
275.3272705078125	168.0
275.8150939941406	184.0
276.1282043457031	580.0
276.1973571777344	196.0
276.233154296875	136.0
276.3916015625	276.0
276.5165710449219	236.0
276.8056945800781	144.0
277.0268859863281	160.0
277.132080078125	156.0
277.4573059082031	152.0
277.6993713378906	144.0
278.1298828125	116.0
278.16387939453125	148.0
278.2550354003906	116.0
278.2952575683594	128.0
278.4949951171875	156.0
278.53912353515625	204.0
278.5623779296875	140.0
278.621337890625	96.0
278.8481140136719	148.0
279.0650329589844	460.0
279.1805725097656	148.0
279.3135986328125	160.0
280.06402587890625	1872.0
280.2778015136719	248.0
280.2966613769531	100.0
280.42236328125	152.0
280.4756774902344	168.0
280.5809020996094	172.0
280.6156921386719	244.0
280.6790466308594	152.0
280.7441101074219	164.0
280.8680725097656	176.0
280.89434814453125	272.0
280.96435546875	232.0
281.0048828125	140.0
281.07305908203125	91880.0
281.1800231933594	184.0
281.2477111816406	176.0
281.45703125	128.0
281.9281005859375	112.0
281.96551513671875	160.0
282.0107421875	216.0
282.0765380859375	14884.0
282.13787841796875	196.0
282.2301025390625	148.0
282.3246154785156	168.0
282.3709716796875	184.0
282.4304504394531	156.0
282.6416015625	132.0
282.6817626953125	116.0
282.7452697753906	112.0
282.8594055175781	172.0
283.0699462890625	21840.0
283.4378967285156	188.0
283.52252197265625	104.0
283.60107421875	180.0
283.6663818359375	176.0
283.9338684082031	204.0
283.9743347167969	128.0
283.99835205078125	140.0
284.0744934082031	2364.0
284.1133117675781	216.0
284.1925964355469	164.0
284.2912292480469	100.0
284.3189697265625	172.0
284.8871765136719	156.0
285.0013732910156	124.0
285.0406188964844	196.0
285.072265625	144.0
285.49169921875	124.0
285.6076965332031	100.0
285.7579345703125	128.0
285.9452209472656	144.0
286.0212097167969	188.0
286.0651550292969	120.0
286.2440185546875	136.0
286.6861267089844	192.0
286.98529052734375	160.0
287.979736328125	108.0
288.9339599609375	176.0
289.6399230957031	132.0
289.9898986816406	100.0
290.28668212890625	152.0
290.58819580078125	144.0
291.0803527832031	164.0
291.1075134277344	148.0
291.19921875	184.0
291.3936462402344	232.0
291.7768859863281	168.0
292.0570068359375	276.0
293.0224914550781	168.0
293.06719970703125	204.0
293.4314880371094	140.0
293.80889892578125	228.0
294.06036376953125	436.0
294.5200500488281	152.0
295.0653381347656	156.0
295.11810302734375	168.0
295.49432373046875	188.0
295.8346862792969	148.0
295.95635986328125	180.0
297.72784423828125	152.0
297.84942626953125	156.0
297.9439697265625	136.0
298.6405334472656	148.0
299.4219665527344	152.0
299.6390075683594	164.0
299.751953125	184.0
300.1000671386719	144.0
300.61627197265625	184.0
301.1422424316406	164.0
301.19403076171875	160.0
301.3529357910156	156.0
302.0339660644531	136.0
303.3636779785156	156.0
303.9198303222656	156.0
304.99859619140625	172.0
305.6809997558594	148.0
306.31488037109375	100.0
306.4323425292969	184.0
306.8062438964844	112.0
306.8907165527344	132.0
307.089111328125	100.0
307.157470703125	168.0
307.19189453125	156.0
307.2212219238281	320.0
307.5161437988281	120.0
307.5453186035156	156.0
307.63201904296875	140.0
307.66632080078125	124.0
307.76470947265625	196.0
307.80096435546875	240.0
307.8267822265625	204.0
307.8641662597656	156.0
307.9490966796875	108.0
308.01116943359375	368.0
308.08416748046875	4232.0
308.1458435058594	96.0
308.19964599609375	184.0
308.2247619628906	208.0
308.2552490234375	236.0
308.2673034667969	116.0
308.30804443359375	132.0
308.3222351074219	276.0
308.3622741699219	172.0
308.39410400390625	280.0
308.4443359375	200.0
308.47808837890625	164.0
308.539306640625	204.0
308.5708312988281	168.0
308.6436462402344	128.0
308.6665954589844	104.0
308.70452880859375	292.0
308.8224792480469	464.0
308.8707275390625	352.0
308.8963623046875	416.0
308.9316101074219	360.0
308.96490478515625	180.0
309.01470947265625	884.0
309.02490234375	664.0
309.0389099121094	712.0
309.0927429199219	246940.0
309.2032165527344	384.0
309.2923278808594	104.0
309.33233642578125	208.0
309.38641357421875	184.0
309.4201965332031	1080.0
309.4813537597656	240.0
309.5244445800781	520.0
309.6268310546875	740.0
309.6722717285156	10004.0
309.7113342285156	360.0
309.7612609863281	272.0
309.842041015625	268.0
309.8685607910156	172.0
309.9271545410156	232.0
309.9697570800781	276.0
310.0021667480469	152.0
310.0950927734375	94540.0
310.1853332519531	96.0
310.23394775390625	212.0
310.2974548339844	400.0
310.34332275390625	156.0
310.39166259765625	120.0
310.5006103515625	136.0
310.5260009765625	156.0
310.5968933105469	152.0
310.6436767578125	136.0
310.68756103515625	364.0
310.7441711425781	180.0
310.8310852050781	164.0
310.8765563964844	100.0
310.9195861816406	360.0
310.95330810546875	320.0
311.0080871582031	272.0
311.0392761230469	452.0
311.0896911621094	129884.0
311.1829528808594	232.0
311.2662048339844	144.0
311.3114929199219	148.0
311.339111328125	196.0
311.37176513671875	248.0
311.5333251953125	200.0
311.62255859375	148.0
311.6671447753906	1000.0
311.71099853515625	244.0
311.8369445800781	164.0
311.9280090332031	108.0
311.9687805175781	336.0
312.0246887207031	180.0
312.09112548828125	18480.0
312.14630126953125	280.0
312.21826171875	344.0
312.2559814453125	232.0
312.2845764160156	396.0
312.36163330078125	524.0
312.4062805175781	260.0
312.4528503417969	204.0
312.4772644042969	284.0
312.51275634765625	240.0
312.805908203125	180.0
312.8618469238281	120.0
312.9300842285156	184.0
313.0070495605469	108.0
313.09075927734375	292.0
313.2866516113281	144.0
313.35284423828125	124.0
313.45184326171875	124.0
313.4809875488281	164.0
313.56097412109375	136.0
313.72430419921875	104.0
313.75946044921875	108.0
313.85345458984375	124.0
313.89019775390625	160.0
313.9263000488281	296.0
313.9787902832031	188.0
314.0208740234375	108.0
314.0630798339844	208.0
314.1075439453125	96.0
314.216552734375	144.0
314.25848388671875	156.0
314.2756042480469	116.0
314.3348693847656	116.0
314.46160888671875	100.0
314.57720947265625	104.0
314.6616516113281	108.0
314.97607421875	128.0
315.1766662597656	108.0
315.3968200683594	112.0
316.641845703125	124.0
320.642333984375	116.0
321.4441833496094	104.0
322.6277160644531	132.0
325.4101257324219	252.0
326.3577575683594	140.0
326.50274658203125	112.0
329.2188720703125	200.0
333.4748840332031	140.0
347.4855651855469	192.0
374.4149475097656	172.0
384.59637451171875	168.0
387.4431457519531	164.0
408.46392822265625	96.0
492.2388916015625	144.0
520.3656616210938	104.0
547.3831176757812	100.0
565.1595458984375	108.0
598.6644897460938	148.0
947.744384765625	96.0
1134.3192138671875	156.0
1347.789794921875	152.0
1361.9581298828125	144.0
1405.8778076171875	140.0
1412.355224609375	152.0
1551.2420654296875	140.0
1675.653076171875	188.0
1771.8458251953125	212.0
1780.60302734375	160.0
1788.7840576171875	248.0
1813.973876953125	176.0
1829.8941650390625	148.0
1848.8353271484375	188.0
1849.8624267578125	160.0
1866.8934326171875	268.0
1871.8931884765625	176.0
1889.04248046875	192.0
1890.9287109375	164.0
1891.97607421875	140.0
1895.1011962890625	128.0
1897.99755859375	200.0
1899.281005859375	224.0
1901.91015625	152.0
1971.2579345703125	212.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078970
PEPMASS=155.050644
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine" [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4-n12
INCHI=InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
INCHIAUX=VREFGVBLTWBCJP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078970
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078970
SCANS=1257
56.30678939819336	148.0
64.912109375	160.0
70.96236419677734	180.0
74.1185531616211	204.0
94.03973388671875	168.0
94.5538330078125	156.0
96.03431701660156	244.0
97.04729461669922	236.0
100.01972198486328	480.0
101.91847229003906	228.0
102.54230499267578	196.0
103.0376968383789	180.0
103.53022003173828	192.0
103.55046844482422	256.0
107.03860473632812	152.0
107.81011199951172	160.0
108.0230712890625	176.0
108.53668975830078	160.0
109.53842163085938	160.0
110.02848815917969	196.0
110.04309844970703	208.0
110.96576690673828	224.0
110.99931335449219	180.0
111.02447509765625	148.0
111.06642150878906	176.0
111.11466979980469	140.0
112.04813385009766	156.0
113.52349090576172	180.0
113.95862579345703	140.0
116.5009994506836	196.0
116.54764556884766	1532.0
117.0538558959961	412.0
119.52359008789062	220.0
120.02021789550781	212.0
121.02969360351562	140.0
122.03240203857422	140.0
123.55196380615234	248.0
125.00748443603516	224.0
126.01719665527344	192.0
126.0533218383789	140.0
129.0504608154297	816.0
130.0522003173828	324.0
131.0601806640625	160.0
131.9739532470703	172.0
133.52835083007812	144.0
134.5352783203125	176.0
135.02552795410156	184.0
135.05982971191406	164.0
136.0011749267578	220.0
137.0596160888672	2068.0
137.5650634765625	604.0
138.0643768310547	368.0
138.95018005371094	156.0
139.2327423095703	160.0
140.03384399414062	216.0
140.536376953125	784.0
141.05551147460938	156.0
141.5366668701172	376.0
142.0405731201172	260.0
142.0642852783203	156.0
142.5533905029297	288.0
144.0615692138672	208.0
146.53598022460938	268.0
147.03468322753906	144.0
147.53814697265625	200.0
148.0349884033203	164.0
148.53848266601562	340.0
150.04928588867188	144.0
151.00650024414062	180.0
151.055419921875	148.0
153.10733032226562	192.0
154.04165649414062	496.0
154.54502868652344	180.0
154.75436401367188	156.0
155.04920959472656	23736.0
155.2437744140625	188.0
155.32211303710938	148.0
155.50796508789062	368.0
155.55072021484375	3180.0
156.0478515625	7336.0
156.1161651611328	216.0
156.1763153076172	164.0
156.22462463378906	124.0
156.5498809814453	1756.0
156.7987518310547	144.0
157.0430908203125	208.0
157.08665466308594	160.0
161.0414276123047	192.0
162.01022338867188	332.0
162.9336700439453	176.0
163.0081329345703	168.0
163.06834411621094	172.0
163.8495330810547	148.0
164.002685546875	116.0
164.05564880371094	784.0
164.5583953857422	212.0
165.001220703125	472.0
165.05780029296875	252.0
165.0725860595703	472.0
165.5506591796875	156.0
166.06752014160156	144.0
167.05984497070312	148.0
168.0697784423828	152.0
169.06312561035156	156.0
171.0819549560547	236.0
172.08766174316406	164.0
175.5605010986328	180.0
176.06112670898438	224.0
177.05796813964844	368.0
179.06817626953125	164.0
179.5825653076172	168.0
180.017578125	160.0
181.02304077148438	160.0
188.0496063232422	144.0
189.00881958007812	156.0
189.05807495117188	380.0
190.0148162841797	312.0
190.06356811523438	128.0
191.01370239257812	144.0
191.02223205566406	112.0
192.0159912109375	172.0
192.07379150390625	292.0
193.03868103027344	168.0
193.085693359375	148.0
195.06817626953125	160.0
196.05902099609375	216.0
196.0841064453125	216.0
197.080322265625	188.0
198.08413696289062	200.0
199.031005859375	564.0
199.06349182128906	156.0
200.0250244140625	144.0
201.02613830566406	164.0
201.0594024658203	200.0
203.04833984375	140.0
203.06968688964844	120.0
204.07858276367188	308.0
205.07513427734375	760.0
206.04330444335938	164.0
206.07623291015625	128.0
212.0221405029297	168.0
213.02024841308594	140.0
214.04258728027344	512.0
215.03228759765625	256.0
215.05874633789062	148.0
216.04617309570312	148.0
216.06683349609375	316.0
218.07949829101562	264.0
221.0450439453125	232.0
224.03001403808594	340.0
227.01181030273438	144.0
227.05079650878906	168.0
231.0389404296875	484.0
232.0565185546875	124.0
232.08370971679688	164.0
234.0526885986328	280.0
239.03814697265625	504.0
240.05531311035156	252.0
241.03530883789062	452.0
242.0270233154297	160.0
245.0935821533203	436.0
246.1002197265625	144.0
248.07431030273438	184.0
251.04867553710938	144.0
252.05764770507812	164.0
253.05198669433594	272.0
254.03758239746094	184.0
268.0730285644531	180.0
269.04827880859375	244.0
269.0711364746094	144.0
280.0576171875	312.0
282.0677795410156	116.0
292.06500244140625	160.0
1594.02783203125	208.0
1637.3795166015625	160.0
1695.3380126953125	208.0
1721.38232421875	144.0
1823.7437744140625	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078971
PEPMASS=830.344238
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=41.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=DOCETAXEL [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(=O)O[C@]12CO[C@@H]2C[C@H](O)[C@]3(C)[C@@H]1[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
INCHI=InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43-/m0/s1
INCHIAUX=ZDZOTLJHXYCWBA-BSEPLHNVSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078971
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078971
SCANS=1806
46.48287582397461	172.0
56.35624694824219	160.0
60.9992790222168	140.0
65.86644744873047	180.0
69.30720520019531	152.0
78.37247467041016	260.0
81.89280700683594	232.0
84.49779510498047	248.0
84.82926177978516	192.0
88.33671569824219	160.0
90.7170181274414	168.0
91.80648803710938	172.0
93.07135009765625	168.0
105.01171875	156.0
105.0339584350586	328.0
105.07059478759766	188.0
106.0483169555664	180.0
106.06266784667969	152.0
109.06184387207031	148.0
110.73727416992188	180.0
117.06874084472656	156.0
118.86944580078125	156.0
119.08654022216797	156.0
121.06902313232422	192.0
121.09968566894531	140.0
122.02132415771484	216.0
122.42618560791016	164.0
123.08245086669922	248.0
123.1142349243164	184.0
123.75638580322266	208.0
125.24339294433594	140.0
125.41941833496094	160.0
125.51973724365234	148.0
129.80804443359375	168.0
130.84413146972656	160.0
131.0513916015625	200.0
133.06820678710938	196.0
135.03890991210938	156.0
135.0792694091797	172.0
137.0888671875	152.0
143.04420471191406	108.0
143.08982849121094	160.0
144.0936279296875	180.0
145.1032257080078	144.0
147.08473205566406	204.0
147.1185302734375	168.0
149.0245361328125	176.0
149.0576934814453	648.0
149.0941619873047	476.0
151.11009216308594	192.0
154.63543701171875	212.0
156.78868103027344	200.0
157.1630096435547	172.0
161.0665740966797	188.0
161.0903778076172	328.0
162.6872100830078	216.0
163.0760040283203	128.0
163.286865234375	224.0
167.071533203125	228.0
169.10272216796875	560.0
170.1064453125	268.0
171.08444213867188	312.0
171.1307373046875	224.0
172.09022521972656	180.0
173.09710693359375	144.0
175.07830810546875	176.0
177.03506469726562	132.0
177.0867156982422	164.0
178.06674194335938	152.0
178.74061584472656	164.0
179.08538818359375	128.0
179.1293182373047	152.0
180.0895538330078	172.0
181.06307983398438	144.0
181.4998779296875	140.0
182.08383178710938	152.0
182.10946655273438	160.0
183.0880126953125	316.0
183.11962890625	140.0
184.09390258789062	156.0
185.06463623046875	160.0
185.09844970703125	272.0
185.12962341308594	184.0
186.0596466064453	188.0
187.0380859375	180.0
187.07713317871094	300.0
187.113037109375	164.0
189.09625244140625	172.0
190.0883026123047	176.0
191.07081604003906	200.0
191.09120178222656	204.0
192.7372589111328	184.0
193.0634307861328	176.0
193.1018829345703	332.0
195.08749389648438	172.0
195.11618041992188	564.0
196.0811767578125	188.0
196.12112426757812	272.0
196.2066192626953	176.0
197.09742736816406	164.0
197.13465881347656	244.0
198.1055450439453	192.0
199.0128173828125	148.0
199.0737762451172	140.0
199.1117706298828	332.0
200.0811767578125	164.0
201.08741760253906	160.0
201.14393615722656	148.0
202.09349060058594	148.0
204.06268310546875	3980.0
204.4202423095703	176.0
205.06613159179688	316.0
205.09815979003906	128.0
206.10546875	152.0
207.08096313476562	140.0
207.11578369140625	156.0
208.495361328125	212.0
209.0958709716797	256.0
209.13832092285156	156.0
209.2547607421875	164.0
210.13955688476562	144.0
211.0753936767578	188.0
211.11289978027344	548.0
211.1457977294922	380.0
213.09103393554688	316.0
213.1239471435547	524.0
213.15594482421875	164.0
214.13119506835938	144.0
214.2535400390625	144.0
215.10289001464844	108.0
218.11032104492188	112.0
220.0305633544922	112.0
220.12420654296875	320.0
221.02122497558594	164.0
221.12832641601562	124.0
222.14111328125	248.0
222.200439453125	176.0
223.11265563964844	224.0
223.1515350341797	412.0
223.9840850830078	140.0
224.15447998046875	144.0
225.08944702148438	208.0
225.12562561035156	536.0
225.16220092773438	140.0
226.07101440429688	208.0
226.12489318847656	156.0
226.1510467529297	140.0
227.10678100585938	460.0
227.1365203857422	164.0
228.12281799316406	128.0
229.0885009765625	160.0
229.12164306640625	316.0
230.83299255371094	140.0
231.1237030029297	112.0
231.37156677246094	164.0
233.09556579589844	236.0
233.13185119628906	188.0
234.09237670898438	120.0
235.10719299316406	156.0
235.14077758789062	148.0
236.5804443359375	144.0
237.12379455566406	404.0
237.17164611816406	264.0
237.6929931640625	168.0
238.71282958984375	152.0
239.1096649169922	244.0
239.14019775390625	288.0
240.10476684570312	144.0
241.15428161621094	184.0
242.12100219726562	148.0
243.18626403808594	156.0
245.08946228027344	184.0
245.11846923828125	260.0
247.11705017089844	144.0
247.14710998535156	176.0
247.84222412109375	180.0
248.0535888671875	18444.0
248.1204376220703	156.0
248.1685791015625	196.0
248.27166748046875	156.0
248.98806762695312	116.0
249.05523681640625	2040.0
249.12081909179688	228.0
250.0557861328125	456.0
250.69769287109375	184.0
250.89891052246094	168.0
251.10287475585938	296.0
251.1359405517578	264.0
252.1095428466797	144.0
253.11439514160156	156.0
253.16299438476562	172.0
254.157958984375	144.0
255.1425323486328	144.0
255.18069458007812	156.0
255.4232635498047	172.0
256.1355895996094	176.0
257.124755859375	172.0
259.1336669921875	492.0
260.11322021484375	140.0
261.1280517578125	156.0
263.14666748046875	584.0
264.11199951171875	144.0
264.147216796875	324.0
265.047607421875	152.0
265.1213684082031	220.0
265.1620788574219	132.0
266.0400390625	244.0
266.0650329589844	120.0
266.1634216308594	140.0
267.14556884765625	224.0
268.1433410644531	156.0
269.1187744140625	128.0
269.1513977050781	220.0
270.4176940917969	144.0
274.12542724609375	164.0
276.10943603515625	148.0
277.0732116699219	172.0
279.1424865722656	108.0
281.15484619140625	532.0
281.1992492675781	200.0
282.1512451171875	160.0
283.1282958984375	200.0
283.165283203125	160.0
284.1324462890625	216.0
285.1403503417969	288.0
287.0904541015625	156.0
287.1251525878906	276.0
288.13006591796875	292.0
290.06390380859375	184.0
291.1361389160156	236.0
292.1339416503906	144.0
294.0998840332031	208.0
295.1281433105469	160.0
295.2311096191406	184.0
296.12738037109375	144.0
297.14691162109375	104.0
298.0896911621094	140.0
299.1614685058594	388.0
299.21539306640625	156.0
300.0757141113281	156.0
301.0940246582031	148.0
302.22833251953125	152.0
303.120849609375	192.0
303.776123046875	196.0
303.9171142578125	124.0
304.0499572753906	160.0
304.115966796875	23728.0
304.1936340332031	124.0
304.3218994140625	120.0
304.4216613769531	148.0
305.11920166015625	4788.0
306.1221618652344	576.0
306.8573303222656	240.0
307.12493896484375	232.0
307.22003173828125	148.0
309.10345458984375	140.0
309.1469421386719	208.0
309.1942138671875	144.0
309.2712097167969	164.0
310.0377197265625	148.0
310.1582946777344	280.0
314.0567626953125	192.0
316.47747802734375	148.0
317.1789245605469	144.0
320.0992736816406	160.0
323.16217041015625	280.0
324.1321105957031	176.0
327.1598815917969	568.0
328.1635437011719	236.0
334.8106994628906	164.0
337.1425476074219	128.0
339.0737609863281	180.0
339.15478515625	256.0
342.06396484375	140.0
345.1498718261719	204.0
345.17462158203125	252.0
348.1163330078125	144.0
348.1497497558594	172.0
349.13580322265625	464.0
351.6493225097656	160.0
353.1886901855469	220.0
355.11761474609375	140.0
355.1626281738281	148.0
357.1104431152344	264.0
366.1766662597656	140.0
367.1485290527344	872.0
368.1578063964844	480.0
369.1304016113281	332.0
369.1602478027344	184.0
371.11767578125	148.0
372.1228942871094	140.0
373.1217956542969	144.0
381.1262512207031	160.0
383.1864929199219	324.0
384.1918029785156	156.0
385.1679992675781	120.0
387.1897888183594	144.0
388.18365478515625	156.0
389.14495849609375	204.0
390.89013671875	164.0
396.1332702636719	144.0
399.1701354980469	300.0
401.1087951660156	160.0
404.6357421875	148.0
405.1283264160156	148.0
405.18341064453125	116.0
406.13812255859375	140.0
408.13330078125	136.0
409.1624755859375	500.0
410.1728210449219	176.0
411.16259765625	124.0
413.1313781738281	148.0
414.1798095703125	160.0
415.1768493652344	152.0
417.0769348144531	156.0
418.06927490234375	168.0
419.0747985839844	132.0
419.1484069824219	148.0
421.1106262207031	164.0
423.64666748046875	140.0
425.1227111816406	168.0
427.174072265625	3056.0
428.1770324707031	1168.0
428.2225036621094	144.0
429.1715393066406	212.0
430.1824645996094	96.0
431.1548156738281	112.0
431.1834411621094	148.0
432.14825439453125	156.0
437.1732177734375	176.0
441.15582275390625	144.0
442.1016540527344	140.0
443.1842041015625	108.0
445.1752624511719	168.0
445.4600524902344	140.0
446.7127380371094	200.0
461.14666748046875	224.0
462.14306640625	140.0
467.2165832519531	188.0
469.19525146484375	144.0
471.17938232421875	132.0
472.1720886230469	264.0
484.1296081542969	184.0
487.20428466796875	184.0
489.18975830078125	1076.0
489.76104736328125	120.0
490.1931457519531	412.0
491.1991882324219	300.0
495.6622314453125	160.0
499.72052001953125	176.0
501.14727783203125	140.0
502.1517333984375	108.0
502.987060546875	160.0
505.2157897949219	176.0
506.2152404785156	144.0
508.1443786621094	180.0
509.2210693359375	580.0
510.2243347167969	288.0
513.1831665039062	136.0
516.1732788085938	156.0
517.4265747070312	164.0
519.1238403320312	172.0
521.2393798828125	204.0
527.2241821289062	772.0
528.229248046875	156.0
531.1236572265625	148.0
531.1914672851562	836.0
532.1895141601562	232.0
532.6903686523438	160.0
536.1866455078125	184.0
537.3446655273438	140.0
543.8648681640625	148.0
544.4498901367188	144.0
546.0411376953125	104.0
546.1869506835938	324.0
546.6996459960938	292.0
546.9434814453125	140.0
547.197021484375	164.0
547.90869140625	104.0
548.054931640625	180.0
548.2200927734375	128.0
548.6929931640625	200.0
549.2095336914062	28708.0
549.3858032226562	128.0
549.7855834960938	96.0
550.212158203125	9820.0
551.0745239257812	136.0
551.1357421875	148.0
551.2164306640625	2228.0
552.2219848632812	596.0
552.934814453125	160.0
553.1972045898438	240.0
553.580810546875	172.0
553.8795776367188	132.0
565.1760864257812	216.0
566.1680908203125	96.0
567.2177124023438	112.0
568.235595703125	148.0
582.1781616210938	148.0
584.187255859375	140.0
586.2431640625	164.0
590.2496948242188	140.0
601.214111328125	368.0
601.328857421875	144.0
602.2090454101562	300.0
603.2014770507812	324.0
619.8564453125	224.0
628.1870727539062	116.0
634.3048095703125	140.0
637.2293090820312	148.0
637.9190063476562	160.0
642.1990356445312	144.0
658.7293090820312	312.0
659.2304077148438	224.0
659.7333374023438	228.0
660.7527465820312	208.0
670.1256103515625	168.0
682.4075317382812	172.0
686.762451171875	148.0
711.1488037109375	168.0
718.2094116210938	140.0
724.2515869140625	168.0
727.0157470703125	168.0
732.2571411132812	384.0
742.271240234375	140.0
747.2520141601562	144.0
750.5962524414062	160.0
753.4234619140625	164.0
758.2057495117188	140.0
760.2238159179688	252.0
763.6079711914062	184.0
764.226318359375	224.0
765.2190551757812	124.0
769.0128784179688	152.0
771.18896484375	180.0
773.2685546875	148.0
774.2597045898438	524.0
775.2734375	216.0
775.7418212890625	148.0
776.2608642578125	136.0
790.3416748046875	152.0
792.2676391601562	156.0
798.9144287109375	164.0
799.246337890625	140.0
804.2676391601562	236.0
817.2850341796875	256.0
817.6947021484375	152.0
819.62109375	100.0
820.1441650390625	128.0
827.7077026367188	144.0
828.7486572265625	120.0
829.189208984375	108.0
829.2749633789062	256.0
829.3799438476562	116.0
830.0	104.0
830.1653442382812	204.0
830.33544921875	40748.0
830.7373657226562	104.0
830.8027954101562	148.0
830.9615478515625	148.0
831.1303100585938	108.0
831.215087890625	372.0
831.3374633789062	17420.0
831.6633911132812	140.0
831.9774169921875	104.0
832.3416137695312	5440.0
832.9400024414062	220.0
833.243408203125	140.0
833.3396606445312	884.0
833.4810791015625	144.0
833.5592041015625	108.0
834.3558959960938	340.0
834.564453125	108.0
834.7432250976562	112.0
835.0733032226562	124.0
835.1974487304688	168.0
835.436767578125	148.0
835.5519409179688	136.0
835.69873046875	148.0
835.7852783203125	104.0
836.1558837890625	104.0
836.2633666992188	108.0
836.46923828125	124.0
837.023193359375	128.0
846.2993774414062	652.0
847.2882690429688	212.0
848.3035278320312	232.0
859.25537109375	144.0
864.2767333984375	112.0
925.5916748046875	148.0
1158.2735595703125	140.0
1643.9808349609375	200.0
1780.442138671875	200.0
1793.778076171875	160.0
1830.4036865234375	188.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078972
PEPMASS=808.360535
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=41.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=DOCETAXEL [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(=O)O[C@]12CO[C@@H]2C[C@H](O)[C@]3(C)[C@@H]1[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
INCHI=InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43-/m0/s1
INCHIAUX=ZDZOTLJHXYCWBA-BSEPLHNVSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078972
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078972
SCANS=1813
45.631919860839844	140.0
54.902976989746094	224.0
56.83088302612305	140.0
62.17226791381836	192.0
64.54696655273438	172.0
66.73345947265625	152.0
69.21941375732422	168.0
69.57422637939453	184.0
72.22703552246094	168.0
75.57520294189453	256.0
76.2063217163086	148.0
81.73978424072266	208.0
84.0519790649414	252.0
90.42721557617188	140.0
91.05648040771484	504.0
91.2599868774414	184.0
93.06861114501953	144.0
94.99554443359375	208.0
95.04792785644531	156.0
95.08867645263672	192.0
95.7789077758789	204.0
96.0888671875	140.0
96.7748794555664	144.0
97.06291198730469	172.0
101.56707000732422	168.0
101.90031433105469	152.0
103.05680847167969	372.0
105.03368377685547	1700.0
105.06876373291016	204.0
105.08719635009766	236.0
106.03890991210938	128.0
106.06401062011719	280.0
106.56544494628906	144.0
107.08383178710938	152.0
108.54905700683594	144.0
109.03482055664062	232.0
109.06578826904297	156.0
109.10448455810547	216.0
113.07428741455078	208.0
114.36897277832031	176.0
116.22825622558594	160.0
118.06359100341797	144.0
118.42719268798828	176.0
119.04878997802734	916.0
119.09003448486328	296.0
119.70635223388672	160.0
120.4107437133789	176.0
121.06486511230469	416.0
121.10315704345703	292.0
123.0786361694336	132.0
124.09004974365234	260.0
124.88504028320312	140.0
127.05181884765625	160.0
127.5166244506836	144.0
128.06785583496094	176.0
128.7625274658203	184.0
131.0947265625	172.0
132.62364196777344	156.0
133.064208984375	156.0
133.08023071289062	196.0
133.1019287109375	136.0
133.88035583496094	160.0
134.07386779785156	160.0
135.04122924804688	164.0
135.07736206054688	148.0
136.07542419433594	160.0
137.09698486328125	404.0
138.6499481201172	180.0
139.04159545898438	164.0
139.0791473388672	156.0
141.0814208984375	164.0
143.0859375	216.0
145.0641326904297	224.0
145.10015869140625	316.0
145.6136016845703	264.0
146.1021270751953	168.0
146.18817138671875	156.0
147.02198791503906	144.0
147.0443115234375	580.0
147.080810546875	188.0
148.04457092285156	148.0
148.08255004882812	200.0
149.0391082763672	148.0
149.06101989746094	552.0
149.09921264648438	472.0
150.0662384033203	144.0
150.0964813232422	268.0
151.07789611816406	624.0
151.11402893066406	140.0
153.0542449951172	164.0
154.12847900390625	156.0
155.08334350585938	156.0
156.10159301757812	168.0
156.79864501953125	156.0
157.06893920898438	184.0
157.10060119628906	284.0
159.0396270751953	164.0
159.08006286621094	332.0
159.11996459960938	200.0
160.0854949951172	140.0
161.06455993652344	220.0
161.09461975097656	216.0
163.0729217529297	108.0
165.0550079345703	1712.0
166.05909729003906	248.0
166.08477783203125	188.0
166.16314697265625	148.0
166.74603271484375	184.0
167.07862854003906	248.0
168.08071899414062	168.0
169.06710815429688	248.0
169.10084533691406	288.0
170.10125732421875	188.0
171.080810546875	316.0
171.1196746826172	492.0
172.42196655273438	156.0
173.09588623046875	428.0
173.12916564941406	160.0
173.14926147460938	180.0
174.09336853027344	140.0
175.0743408203125	436.0
175.8282470703125	160.0
177.05616760253906	332.0
177.09207153320312	212.0
178.07540893554688	140.0
178.12913513183594	168.0
179.06967163085938	428.0
179.086669921875	340.0
179.8652801513672	196.0
180.0647430419922	204.0
181.09976196289062	292.0
182.08135986328125	8356.0
183.08255004882812	716.0
183.11691284179688	532.0
183.6755828857422	156.0
184.0790252685547	312.0
185.09765625	272.0
185.13694763183594	132.0
187.07742309570312	564.0
187.10768127441406	192.0
189.08944702148438	500.0
189.12635803222656	300.0
190.09104919433594	212.0
190.1294708251953	184.0
191.1014404296875	144.0
192.08596801757812	260.0
193.09762573242188	196.0
194.10787963867188	128.0
194.6596221923828	164.0
195.06468200683594	136.0
195.1149139404297	600.0
196.0961456298828	180.0
197.0980682373047	224.0
197.12998962402344	372.0
197.6953582763672	152.0
198.0817413330078	168.0
199.11245727539062	508.0
200.62771606445312	160.0
200.92100524902344	224.0
201.12802124023438	284.0
201.1484375	200.0
202.09632873535156	184.0
203.06797790527344	232.0
203.10365295410156	248.0
204.0874481201172	216.0
205.07810974121094	192.0
206.01690673828125	160.0
206.10423278808594	328.0
207.1232147216797	472.0
208.060546875	276.0
208.1245574951172	280.0
209.1015625	148.0
209.1304473876953	736.0
210.10655212402344	316.0
211.1114959716797	380.0
211.14694213867188	300.0
212.114501953125	336.0
213.0863800048828	168.0
213.12274169921875	368.0
213.16246032714844	140.0
214.0961456298828	116.0
214.13406372070312	168.0
215.10797119140625	348.0
216.11915588378906	176.0
217.10325622558594	176.0
218.1018829345703	172.0
219.11683654785156	276.0
220.1248016357422	240.0
220.50076293945312	160.0
221.08078002929688	156.0
221.13465881347656	524.0
222.09971618652344	164.0
222.1396942138672	336.0
223.1126708984375	596.0
223.14273071289062	320.0
224.11988830566406	136.0
225.08985900878906	448.0
225.12777709960938	564.0
225.16311645507812	316.0
225.4015655517578	176.0
225.50987243652344	152.0
226.07131958007812	13452.0
226.1302490234375	212.0
227.0733184814453	1496.0
227.0985107421875	472.0
227.14328002929688	484.0
228.07679748535156	588.0
228.14959716796875	144.0
228.33901977539062	156.0
229.083984375	164.0
229.12301635742188	316.0
230.1106414794922	188.0
231.1029815673828	188.0
232.1229705810547	200.0
233.13124084472656	260.0
235.11537170410156	348.0
235.15061950683594	828.0
236.11875915527344	104.0
236.1525115966797	212.0
237.09031677246094	180.0
237.1238555908203	316.0
237.16397094726562	168.0
238.13912963867188	720.0
238.18113708496094	140.0
239.10433959960938	288.0
239.1466827392578	1240.0
239.2327880859375	152.0
240.1186981201172	188.0
240.14688110351562	276.0
241.08958435058594	228.0
241.12208557128906	300.0
241.15428161621094	308.0
243.11488342285156	212.0
245.1140899658203	380.0
245.13473510742188	588.0
246.1156463623047	156.0
246.13687133789062	144.0
247.1443634033203	248.0
248.12603759765625	228.0
248.17132568359375	172.0
248.32498168945312	220.0
249.12721252441406	464.0
250.1094207763672	176.0
250.1345977783203	288.0
251.1067352294922	124.0
251.1432647705078	548.0
252.13836669921875	192.0
253.11837768554688	332.0
253.1582489013672	1168.0
254.15957641601562	128.0
255.08616638183594	564.0
255.13510131835938	140.0
255.17294311523438	212.0
256.1417541503906	140.0
257.11492919921875	124.0
257.154052734375	296.0
258.1562805175781	144.0
259.1337585449219	544.0
260.1341857910156	156.0
261.08673095703125	152.0
261.1274108886719	216.0
262.897216796875	192.0
263.06182861328125	168.0
263.1413879394531	1208.0
264.1433410644531	412.0
265.1215515136719	132.0
265.1581726074219	600.0
266.1317138671875	692.0
266.1634216308594	416.0
267.1075134277344	320.0
267.1397705078125	624.0
268.1385498046875	160.0
269.0872497558594	276.0
269.118896484375	436.0
269.1478576660156	416.0
270.1166687011719	300.0
271.1209411621094	104.0
271.1637268066406	392.0
273.1287841796875	148.0
274.1291809082031	224.0
276.119873046875	156.0
279.1360778808594	1160.0
280.1376037597656	308.0
281.1537170410156	3268.0
281.19720458984375	224.0
282.0133972167969	136.0
282.15301513671875	1364.0
283.1338195800781	328.0
283.68572998046875	120.0
285.11297607421875	208.0
285.1463623046875	616.0
286.163818359375	176.0
287.1259765625	828.0
288.13372802734375	296.0
289.1275634765625	152.0
291.1374816894531	556.0
292.1493225097656	128.0
294.0520935058594	156.0
294.1271667480469	148.0
295.165771484375	188.0
297.15081787109375	852.0
299.1145935058594	208.0
299.1639099121094	1020.0
299.2041015625	184.0
300.1697082519531	324.0
301.05914306640625	160.0
301.14544677734375	332.0
303.120849609375	184.0
303.193603515625	140.0
305.1582946777344	124.0
308.9807434082031	164.0
309.1476135253906	4032.0
309.2117004394531	148.0
310.15191650390625	1196.0
311.1341247558594	144.0
311.1624450683594	128.0
312.60174560546875	140.0
317.1711730957031	248.0
321.83575439453125	164.0
323.1653747558594	160.0
327.1587219238281	3200.0
328.1607360839844	976.0
328.2262878417969	216.0
329.1315002441406	128.0
329.1624755859375	300.0
330.16668701171875	128.0
344.7563781738281	156.0
345.16961669921875	1668.0
346.1734924316406	916.0
346.2176513671875	168.0
347.1427917480469	148.0
347.17230224609375	112.0
348.145263671875	136.0
358.166015625	100.0
359.1814270019531	296.0
363.1688232421875	156.0
369.169677734375	388.0
370.1596374511719	124.0
371.1675109863281	148.0
379.2247314453125	160.0
382.1275634765625	164.0
385.20526123046875	220.0
387.1800842285156	680.0
388.1878356933594	284.0
388.2267761230469	248.0
389.14105224609375	164.0
395.1611022949219	156.0
403.187744140625	168.0
405.1993408203125	404.0
406.1940612792969	188.0
419.0628356933594	144.0
419.1932067871094	148.0
431.18927001953125	288.0
432.1876220703125	112.0
437.1898498535156	152.0
446.0945739746094	168.0
449.1950378417969	1212.0
450.1985168457031	376.0
467.20306396484375	256.0
468.20550537109375	160.0
469.1732482910156	116.0
473.18536376953125	124.0
489.83929443359375	188.0
491.2049255371094	660.0
492.2050476074219	144.0
493.199951171875	116.0
493.22802734375	128.0
508.3907775878906	136.0
508.53277587890625	140.0
508.6943664550781	144.0
508.9329528808594	140.0
509.215576171875	8460.0
509.3299865722656	108.0
509.67083740234375	132.0
509.9613342285156	120.0
510.22039794921875	2364.0
510.3746032714844	140.0
511.2209167480469	800.0
512.2218017578125	124.0
527.2275390625	4512.0
527.8201904296875	124.0
528.2295532226562	2464.0
529.2372436523438	724.0
530.23828125	232.0
568.2733154296875	164.0
612.2586059570312	176.0
672.3119506835938	168.0
690.2864990234375	272.0
691.30419921875	264.0
708.2872924804688	220.0
716.2561645507812	140.0
732.2520751953125	144.0
735.2830200195312	144.0
752.2623291015625	108.0
808.3531494140625	440.0
809.3833618164062	216.0
810.3563842773438	196.0
1312.7857666015625	140.0
1421.862060546875	188.0
1538.6849365234375	172.0
1565.0523681640625	160.0
1656.3670654296875	204.0
1685.598876953125	176.0
1756.93017578125	176.0
1804.998291015625	168.0
1838.365478515625	252.0
1929.4010009765625	156.0
1960.5875244140625	152.0
1994.5565185546875	164.0
1997.5264892578125	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078973
PEPMASS=303.236664
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Methyltestosterone aka "(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
INCHI=InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
INCHIAUX=GCKMFJBGXUYNAG-HLXURNFRSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078973
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078973
SCANS=1520
45.26032257080078	164.0
45.56344223022461	152.0
45.68309020996094	148.0
45.76788330078125	172.0
45.929603576660156	156.0
46.863670349121094	180.0
47.03004455566406	156.0
47.594078063964844	140.0
47.866336822509766	172.0
48.715553283691406	148.0
48.804500579833984	148.0
48.853179931640625	192.0
49.38603591918945	164.0
50.67129898071289	144.0
51.36076736450195	148.0
52.11091232299805	156.0
52.18565368652344	188.0
52.430362701416016	156.0
53.091041564941406	172.0
53.951576232910156	168.0
53.96327209472656	148.0
55.136314392089844	180.0
55.616188049316406	156.0
55.675575256347656	144.0
56.25178909301758	204.0
57.1916389465332	196.0
57.6864013671875	228.0
58.11044692993164	204.0
58.283538818359375	148.0
58.32456970214844	140.0
58.773681640625	196.0
58.82114791870117	140.0
58.94791030883789	140.0
59.240142822265625	232.0
59.795982360839844	172.0
60.108821868896484	188.0
60.229244232177734	256.0
60.76176452636719	184.0
60.93254470825195	144.0
61.45411682128906	148.0
61.4781608581543	168.0
61.53683853149414	144.0
61.61024475097656	200.0
62.53226089477539	144.0
63.56898880004883	152.0
63.69441223144531	140.0
64.1319808959961	168.0
64.79620361328125	200.0
65.26863098144531	216.0
65.52293395996094	172.0
65.71479797363281	168.0
65.78096008300781	168.0
66.13094329833984	164.0
66.5256118774414	144.0
66.74080657958984	176.0
67.0844955444336	132.0
67.15043640136719	140.0
67.62097930908203	156.0
67.81423950195312	144.0
67.82571411132812	244.0
68.3249282836914	152.0
68.68404388427734	156.0
68.73519134521484	204.0
68.76819610595703	176.0
69.12020111083984	168.0
69.21455383300781	192.0
69.33879089355469	152.0
69.43827056884766	252.0
69.86848449707031	156.0
69.89511108398438	180.0
70.18160247802734	188.0
70.64087677001953	140.0
70.75634765625	176.0
71.34856414794922	176.0
71.8380126953125	164.0
72.79320526123047	216.0
73.23197937011719	152.0
75.21067810058594	148.0
76.21512603759766	148.0
77.63079833984375	160.0
77.77115631103516	232.0
77.78343963623047	140.0
78.1648178100586	240.0
78.39550018310547	144.0
78.41136169433594	176.0
78.43427276611328	184.0
79.29326629638672	192.0
80.18367767333984	156.0
80.23180389404297	160.0
80.73175048828125	176.0
81.51742553710938	160.0
81.74736785888672	108.0
83.3783187866211	160.0
83.54378509521484	192.0
83.8150634765625	144.0
83.96636199951172	144.0
84.32054901123047	168.0
85.49243927001953	148.0
86.03248596191406	152.0
86.41690063476562	208.0
86.43355560302734	168.0
87.24220275878906	172.0
87.45053100585938	156.0
87.49334716796875	168.0
87.85115051269531	148.0
88.09757232666016	212.0
88.21343231201172	152.0
88.70012664794922	156.0
88.85221862792969	156.0
89.94705200195312	184.0
90.0284423828125	140.0
90.38760375976562	168.0
91.05350494384766	240.0
91.35521697998047	164.0
92.91027069091797	236.0
93.0699234008789	176.0
93.13294219970703	188.0
93.1463851928711	156.0
93.72354125976562	164.0
94.04174041748047	160.0
94.07648468017578	236.0
94.12088775634766	168.0
94.41461944580078	176.0
95.05000305175781	148.0
95.08596801757812	1472.0
95.68557739257812	184.0
96.08892059326172	180.0
96.53044128417969	152.0
97.06534576416016	10756.0
97.14854431152344	116.0
97.21959686279297	180.0
97.2612075805664	164.0
97.30635833740234	200.0
97.55388641357422	140.0
97.76434326171875	180.0
97.79976654052734	148.0
98.04895782470703	100.0
98.0693130493164	816.0
98.23721313476562	140.0
98.53926849365234	152.0
99.0776138305664	144.0
99.59461975097656	124.0
100.00352478027344	120.0
100.05249786376953	200.0
100.3067855834961	148.0
100.59473419189453	216.0
102.00697326660156	176.0
102.2060775756836	152.0
102.60083770751953	164.0
102.88529205322266	248.0
103.05549621582031	264.0
103.64981842041016	192.0
104.05343627929688	140.0
104.7326431274414	200.0
105.0696792602539	796.0
105.87913513183594	104.0
106.07512664794922	160.0
106.10177612304688	192.0
106.3951416015625	220.0
107.05003356933594	336.0
107.08541107177734	1964.0
107.80192565917969	168.0
107.89493560791016	156.0
108.08805847167969	144.0
108.40618133544922	404.0
109.01836395263672	144.0
109.06544494628906	18068.0
109.10089111328125	1256.0
109.13623046875	148.0
109.79695892333984	156.0
110.06783294677734	1064.0
110.1040267944336	176.0
110.6976547241211	172.0
111.0833740234375	200.0
111.1693115234375	176.0
111.36666107177734	256.0
112.56919860839844	156.0
115.35034942626953	148.0
117.07027435302734	248.0
117.19600677490234	184.0
117.29280090332031	232.0
117.32532501220703	196.0
117.84783172607422	192.0
118.34291076660156	156.0
118.46418762207031	148.0
119.05848693847656	172.0
119.08514404296875	1928.0
119.3648910522461	148.0
119.63685607910156	168.0
119.70652770996094	264.0
120.08889770507812	256.0
120.24281311035156	152.0
120.79717254638672	196.0
121.06578826904297	716.0
121.10076141357422	2216.0
121.2839126586914	176.0
121.33871459960938	140.0
122.06510925292969	276.0
122.11216735839844	192.0
122.46381378173828	156.0
122.88265228271484	252.0
122.92015838623047	196.0
123.0814208984375	3280.0
123.12200164794922	184.0
123.76004791259766	160.0
124.0870590209961	564.0
124.67623901367188	140.0
125.7608642578125	160.0
126.6739273071289	116.0
126.87708282470703	144.0
127.28767395019531	180.0
127.6741943359375	196.0
128.06129455566406	280.0
128.60693359375	148.0
128.65658569335938	164.0
129.0668487548828	588.0
129.5294647216797	144.0
130.29396057128906	140.0
131.02195739746094	192.0
131.08450317382812	868.0
132.08935546875	340.0
132.287109375	148.0
132.6490478515625	216.0
133.10081481933594	2516.0
133.88746643066406	140.0
134.10784912109375	232.0
134.60464477539062	172.0
134.62774658203125	176.0
134.9882354736328	180.0
135.07931518554688	456.0
135.1179962158203	1360.0
136.1194305419922	120.0
136.30487060546875	140.0
136.34902954101562	188.0
136.46990966796875	192.0
137.09815979003906	488.0
137.13336181640625	792.0
137.35719299316406	184.0
137.7446746826172	164.0
138.09762573242188	168.0
138.45101928710938	156.0
139.10987854003906	144.0
139.97271728515625	144.0
141.0697784423828	188.0
141.94107055664062	192.0
142.0799102783203	164.0
143.08648681640625	1052.0
143.2577667236328	216.0
143.62008666992188	156.0
144.09793090820312	140.0
144.50634765625	140.0
144.7073974609375	156.0
145.10150146484375	820.0
145.3329620361328	176.0
145.74354553222656	160.0
145.89254760742188	212.0
146.05726623535156	108.0
146.10520935058594	380.0
146.52066040039062	168.0
146.56163024902344	160.0
147.08180236816406	284.0
147.11782836914062	1620.0
147.83175659179688	172.0
148.12152099609375	308.0
148.9542999267578	176.0
149.09698486328125	1084.0
149.13267517089844	1764.0
149.96743774414062	180.0
150.09783935546875	272.0
150.13473510742188	332.0
151.14874267578125	152.0
152.12149047851562	144.0
152.4432373046875	176.0
152.5071258544922	148.0
152.7800750732422	204.0
153.12489318847656	156.0
154.79339599609375	180.0
155.08749389648438	200.0
155.16575622558594	144.0
155.37657165527344	148.0
155.65951538085938	164.0
156.09060668945312	164.0
157.10263061523438	1052.0
157.9674072265625	164.0
158.109619140625	340.0
159.0800323486328	188.0
159.11749267578125	2792.0
159.32156372070312	304.0
160.29481506347656	156.0
160.66543579101562	180.0
161.09609985351562	684.0
161.1333465576172	2312.0
161.22669982910156	240.0
161.69131469726562	164.0
161.8936309814453	232.0
162.10206604003906	144.0
162.1376953125	712.0
162.72299194335938	144.0
162.7890167236328	164.0
163.11306762695312	708.0
163.14768981933594	1984.0
163.9668731689453	308.0
164.11216735839844	248.0
164.4488983154297	176.0
164.8013153076172	184.0
164.90353393554688	188.0
165.12644958496094	144.0
165.68743896484375	148.0
165.8633575439453	160.0
166.69488525390625	140.0
166.80026245117188	144.0
168.0931396484375	172.0
168.50625610351562	152.0
168.63804626464844	164.0
169.104248046875	424.0
169.32366943359375	144.0
169.8290557861328	184.0
169.8990936279297	308.0
170.11013793945312	336.0
170.81871032714844	228.0
170.89297485351562	116.0
171.1173553466797	1424.0
171.2362823486328	148.0
172.12744140625	384.0
172.6182861328125	224.0
173.10012817382812	200.0
173.13308715820312	748.0
173.9728546142578	144.0
174.13751220703125	300.0
174.58242797851562	184.0
174.61660766601562	152.0
175.0745391845703	164.0
175.1125030517578	1040.0
175.14967346191406	1832.0
176.14923095703125	380.0
176.9228057861328	220.0
177.1263427734375	2360.0
177.16400146484375	2660.0
177.34133911132812	172.0
177.8472442626953	124.0
178.1306610107422	388.0
178.16748046875	460.0
178.61138916015625	172.0
178.91387939453125	184.0
179.1438446044922	232.0
180.32228088378906	196.0
180.69395446777344	164.0
181.04995727539062	168.0
181.4733428955078	156.0
181.88038635253906	180.0
182.0287628173828	196.0
182.1046905517578	148.0
182.19528198242188	140.0
182.55081176757812	176.0
183.03712463378906	208.0
183.11898803710938	312.0
183.16639709472656	148.0
183.93218994140625	144.0
184.12747192382812	148.0
184.50758361816406	188.0
185.134033203125	1556.0
185.69903564453125	140.0
186.13717651367188	384.0
187.14720153808594	1960.0
187.83148193359375	160.0
188.00608825683594	240.0
188.15249633789062	316.0
188.72450256347656	168.0
189.126708984375	372.0
189.1642303466797	6260.0
190.12974548339844	172.0
190.1696014404297	972.0
190.2093505859375	140.0
190.349365234375	188.0
190.4125213623047	156.0
190.71475219726562	160.0
191.1435546875	608.0
191.86538696289062	144.0
192.14393615722656	184.0
193.08761596679688	176.0
193.26841735839844	172.0
193.29055786132812	152.0
194.4600372314453	216.0
195.16192626953125	168.0
195.24905395507812	184.0
196.190185546875	152.0
196.38258361816406	188.0
197.09445190429688	192.0
197.1355438232422	372.0
197.7404327392578	204.0
198.04000854492188	240.0
198.13250732421875	224.0
199.15086364746094	916.0
201.1290740966797	344.0
201.16558837890625	1664.0
201.3848419189453	188.0
202.17030334472656	160.0
202.2069854736328	140.0
203.14227294921875	524.0
203.17880249023438	2448.0
204.09628295898438	176.0
204.1815948486328	360.0
204.66534423828125	176.0
204.68812561035156	156.0
205.79444885253906	200.0
206.3344268798828	144.0
206.44879150390625	168.0
206.7589111328125	320.0
207.17007446289062	304.0
208.1854248046875	200.0
209.30401611328125	148.0
210.14276123046875	144.0
211.14859008789062	1412.0
211.18270874023438	164.0
211.6717987060547	172.0
211.79922485351562	152.0
212.15069580078125	624.0
213.16636657714844	480.0
214.5102996826172	152.0
214.83399963378906	140.0
215.14244079589844	964.0
215.18017578125	684.0
215.639892578125	184.0
215.7831268310547	148.0
216.14422607421875	120.0
216.18289184570312	220.0
216.3272705078125	140.0
217.16371154785156	152.0
218.15342712402344	100.0
218.3930206298828	164.0
220.2913055419922	180.0
220.3651580810547	140.0
221.039306640625	184.0
221.28201293945312	156.0
223.19873046875	152.0
223.70152282714844	156.0
223.7967987060547	152.0
223.98143005371094	220.0
224.01718139648438	140.0
224.14715576171875	192.0
224.38075256347656	140.0
225.16238403320312	1140.0
226.16464233398438	304.0
226.30482482910156	168.0
226.4036407470703	148.0
227.1806640625	4560.0
227.9510955810547	204.0
228.14993286132812	252.0
228.18258666992188	1016.0
228.61915588378906	140.0
229.02764892578125	176.0
229.1568603515625	1352.0
230.04478454589844	204.0
230.1632080078125	124.0
230.28936767578125	144.0
230.79403686523438	160.0
231.17819213867188	372.0
231.6171875	228.0
233.18789672851562	392.0
233.53732299804688	172.0
233.68453979492188	184.0
234.1984100341797	164.0
234.8665313720703	140.0
236.4889678955078	176.0
236.86251831054688	168.0
237.1045684814453	212.0
237.16436767578125	180.0
238.16082763671875	176.0
238.3934783935547	140.0
239.1438751220703	160.0
239.17691040039062	876.0
239.31626892089844	164.0
240.18531799316406	156.0
241.1641082763672	188.0
241.19369506835938	784.0
241.81361389160156	160.0
241.91575622558594	188.0
242.20008850097656	236.0
242.6654815673828	192.0
242.9104766845703	152.0
243.09042358398438	148.0
243.17372131347656	1076.0
243.21054077148438	488.0
244.18235778808594	152.0
244.2399444580078	148.0
244.345703125	148.0
245.19097900390625	2924.0
246.19631958007812	1120.0
246.33775329589844	176.0
246.83468627929688	144.0
247.2022705078125	144.0
247.2677459716797	148.0
247.36968994140625	144.0
248.16229248046875	144.0
248.42886352539062	168.0
249.05352783203125	164.0
250.44061279296875	176.0
252.1916961669922	540.0
252.6312713623047	168.0
253.1630096435547	156.0
253.48928833007812	152.0
254.9013671875	164.0
255.17630004882812	248.0
255.2478485107422	148.0
255.56591796875	140.0
256.03704833984375	140.0
256.14532470703125	188.0
257.1883850097656	96.0
257.2244567871094	584.0
258.2297668457031	188.0
258.6919860839844	148.0
258.9945373535156	168.0
259.5072937011719	140.0
261.6373596191406	152.0
262.3074035644531	208.0
263.35284423828125	232.0
263.4482727050781	132.0
264.3323974609375	188.0
265.1225280761719	252.0
265.1968078613281	184.0
267.2121276855469	7388.0
267.3763427734375	164.0
267.46746826171875	192.0
267.5499572753906	120.0
268.21514892578125	2048.0
268.8526306152344	152.0
269.20782470703125	148.0
269.2215270996094	184.0
270.199462890625	280.0
270.80145263671875	136.0
271.3877258300781	172.0
272.60223388671875	140.0
272.9605407714844	160.0
273.4573059082031	156.0
273.6449279785156	148.0
273.9413146972656	152.0
275.3695373535156	176.0
277.7924499511719	144.0
278.4762268066406	164.0
278.5459899902344	156.0
278.7021179199219	160.0
279.6864929199219	160.0
279.92620849609375	140.0
280.325927734375	152.0
281.50347900390625	172.0
281.7305908203125	152.0
283.28948974609375	196.0
283.5810241699219	144.0
283.7476501464844	156.0
284.2114562988281	204.0
284.4295959472656	160.0
284.7116394042969	160.0
284.9165344238281	172.0
285.0897521972656	180.0
285.1710510253906	152.0
285.2219543457031	20328.0
286.0078125	128.0
286.164794921875	180.0
286.2245788574219	4472.0
286.887939453125	224.0
286.92669677734375	144.0
286.99310302734375	184.0
287.23016357421875	476.0
287.3775939941406	152.0
287.87042236328125	152.0
288.2134704589844	196.0
288.2514343261719	192.0
288.98248291015625	248.0
289.2295227050781	144.0
289.7848205566406	164.0
290.9555969238281	108.0
291.5833435058594	144.0
291.9696350097656	168.0
293.782958984375	144.0
294.69110107421875	172.0
295.58197021484375	124.0
295.6587829589844	208.0
296.820068359375	156.0
297.1939392089844	168.0
297.7054138183594	176.0
299.03631591796875	192.0
299.3284912109375	188.0
299.6729431152344	148.0
300.7579345703125	152.0
301.1563720703125	140.0
301.214111328125	156.0
301.34088134765625	136.0
301.7865905761719	244.0
301.8889465332031	156.0
301.9408264160156	152.0
301.9664611816406	224.0
302.0035705566406	172.0
302.02850341796875	128.0
302.0868835449219	136.0
302.1171569824219	176.0
302.2008056640625	224.0
302.2719421386719	140.0
302.3370056152344	232.0
302.3739318847656	100.0
302.4288024902344	200.0
302.461181640625	192.0
302.496826171875	236.0
302.5303955078125	140.0
302.66754150390625	152.0
302.7012939453125	140.0
302.7559814453125	144.0
302.7778015136719	104.0
302.8106384277344	176.0
302.8601989746094	236.0
302.9187927246094	204.0
302.9997253417969	288.0
303.0284118652344	280.0
303.06756591796875	396.0
303.0941467285156	276.0
303.13128662109375	652.0
303.1704406738281	704.0
303.2344970703125	183948.0
303.3374328613281	188.0
303.4342041015625	184.0
303.47601318359375	260.0
303.5141906738281	324.0
303.55645751953125	276.0
303.6156921386719	416.0
303.6520080566406	148.0
303.69891357421875	256.0
303.7519836425781	280.0
303.8044738769531	5244.0
303.8497619628906	340.0
303.879150390625	240.0
303.9422302246094	216.0
304.0312194824219	144.0
304.05755615234375	212.0
304.107421875	212.0
304.1302490234375	212.0
304.18206787109375	124.0
304.23675537109375	61444.0
304.4388427734375	140.0
304.55303955078125	104.0
304.6114196777344	148.0
304.6736755371094	188.0
304.7389221191406	104.0
304.7992248535156	132.0
304.9820861816406	188.0
305.0257568359375	140.0
305.065185546875	100.0
305.1511535644531	124.0
305.1760559082031	220.0
305.2393798828125	7268.0
305.3660888671875	160.0
305.82501220703125	236.0
305.86419677734375	180.0
305.91961669921875	200.0
305.96917724609375	208.0
306.0337829589844	320.0
306.08135986328125	112.0
306.1487731933594	220.0
306.24029541015625	876.0
306.3138122558594	208.0
306.379150390625	424.0
306.4342346191406	172.0
306.55902099609375	236.0
306.5859069824219	140.0
306.6648254394531	132.0
306.94647216796875	160.0
307.0253601074219	284.0
307.3731384277344	104.0
307.7090759277344	148.0
308.3110046386719	180.0
308.46875	96.0
308.57891845703125	124.0
316.71905517578125	152.0
318.4247741699219	140.0
321.11114501953125	144.0
321.24041748046875	276.0
344.25927734375	400.0
351.8140869140625	140.0
408.408447265625	140.0
414.9057922363281	140.0
427.6343994140625	144.0
428.0954895019531	148.0
460.62860107421875	116.0
634.536376953125	180.0
1053.8145751953125	248.0
1249.5252685546875	232.0
1296.383056640625	148.0
1303.6309814453125	144.0
1306.7012939453125	156.0
1310.5531005859375	204.0
1317.1685791015625	152.0
1319.2930908203125	180.0
1320.999755859375	196.0
1322.4149169921875	196.0
1346.8192138671875	188.0
1358.384521484375	236.0
1387.0025634765625	160.0
1389.694580078125	228.0
1400.6748046875	140.0
1406.169921875	244.0
1408.021484375	272.0
1445.2320556640625	188.0
1452.4669189453125	252.0
1469.744140625	192.0
1503.4779052734375	164.0
1508.3360595703125	184.0
1512.025390625	224.0
1517.843017578125	160.0
1521.7225341796875	156.0
1531.411865234375	160.0
1533.0167236328125	188.0
1534.981201171875	168.0
1549.3311767578125	152.0
1549.6993408203125	228.0
1578.6663818359375	148.0
1588.209716796875	176.0
1595.5074462890625	208.0
1596.1990966796875	264.0
1603.5948486328125	140.0
1622.00244140625	184.0
1626.1893310546875	168.0
1626.6629638671875	140.0
1633.9678955078125	184.0
1636.35009765625	160.0
1650.5992431640625	180.0
1653.78662109375	184.0
1655.7620849609375	180.0
1676.5352783203125	180.0
1689.9676513671875	196.0
1696.347412109375	148.0
1706.79052734375	172.0
1717.8511962890625	172.0
1722.630859375	144.0
1725.59765625	184.0
1728.91455078125	172.0
1732.1436767578125	140.0
1739.955322265625	164.0
1740.8603515625	208.0
1741.8394775390625	176.0
1758.8270263671875	168.0
1764.315185546875	152.0
1766.5062255859375	164.0
1767.2926025390625	180.0
1790.31787109375	172.0
1791.9014892578125	184.0
1804.7642822265625	148.0
1806.421875	220.0
1806.751708984375	260.0
1813.68701171875	160.0
1817.7918701171875	156.0
1822.7593994140625	188.0
1823.4732666015625	140.0
1831.4625244140625	148.0
1832.706298828125	184.0
1844.6201171875	144.0
1863.834716796875	148.0
1865.9835205078125	172.0
1868.86474609375	168.0
1872.0841064453125	276.0
1875.8060302734375	188.0
1877.349365234375	176.0
1882.05224609375	156.0
1882.87255859375	168.0
1885.706298828125	160.0
1893.8046875	188.0
1903.6654052734375	164.0
1908.49658203125	192.0
1917.262451171875	168.0
1918.7005615234375	164.0
1933.45361328125	196.0
1967.4615478515625	176.0
1976.1314697265625	156.0
1981.7359619140625	180.0
1981.8599853515625	184.0
1984.359375	152.0
1999.3089599609375	148.0
2000.4036865234375	184.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078974
PEPMASS=314.096924
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=FLUBENDAZOLE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccc(F)cc3
INCHI=InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)
INCHIAUX=CPEUVMUXAHMANV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078974
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078974
SCANS=1246
105.92752838134766	224.0
113.04053497314453	164.0
115.01493072509766	172.0
123.02690887451172	528.0
132.06509399414062	140.0
136.22813415527344	208.0
137.85910034179688	216.0
138.6243133544922	200.0
140.0067596435547	192.0
140.78855895996094	152.0
155.05909729003906	144.0
155.4012908935547	140.0
159.96983337402344	196.0
165.01336669921875	200.0
166.0068359375	152.0
167.01873779296875	280.0
168.01922607421875	236.0
168.72067260742188	168.0
172.09393310546875	168.0
173.98326110839844	160.0
174.9533233642578	180.0
191.06918334960938	108.0
192.0703887939453	128.0
202.37672424316406	148.0
204.0743408203125	112.0
205.0790557861328	400.0
206.07980346679688	472.0
207.08689880371094	144.0
208.040283203125	148.0
209.05722045898438	160.0
210.04745483398438	144.0
214.1547088623047	224.0
216.0623016357422	124.0
216.4003448486328	148.0
217.06663513183594	140.0
217.0977325439453	224.0
220.096435546875	152.0
220.83506774902344	140.0
227.02378845214844	316.0
229.0422821044922	124.0
230.04981994628906	420.0
231.09335327148438	164.0
232.0231475830078	144.0
232.09893798828125	192.0
232.15768432617188	172.0
233.0841827392578	272.0
233.75440979003906	140.0
234.09750366210938	144.0
235.13490295410156	264.0
237.08299255371094	152.0
239.14068603515625	200.0
241.0418243408203	172.0
242.0446014404297	304.0
243.04664611816406	504.0
244.05386352539062	804.0
245.0647735595703	156.0
246.0596923828125	156.0
246.1093292236328	272.0
247.1056365966797	256.0
253.0413818359375	140.0
254.0355224609375	736.0
255.04640197753906	312.0
257.0828552246094	160.0
258.0677795410156	308.0
258.8150634765625	256.0
262.0719909667969	232.0
266.0046081542969	188.0
267.06781005859375	156.0
270.1072692871094	144.0
270.7060546875	188.0
273.0458984375	208.0
274.12158203125	268.0
275.1195983886719	1080.0
275.7295227050781	160.0
276.1296081542969	192.0
276.3147888183594	208.0
282.0666198730469	4372.0
283.0699157714844	1016.0
284.02252197265625	144.0
284.0720520019531	2156.0
285.0798645019531	352.0
285.21881103515625	228.0
290.56451416015625	204.0
295.2720642089844	212.0
297.6915283203125	172.0
298.1380920410156	148.0
299.03228759765625	144.0
310.0947570800781	128.0
310.81158447265625	112.0
311.0882263183594	988.0
312.0216979980469	160.0
312.0906677246094	9464.0
312.31640625	204.0
312.6266784667969	188.0
313.0929260253906	792.0
314.01434326171875	140.0
314.095458984375	6292.0
314.3388366699219	184.0
315.09381103515625	1068.0
315.22503662109375	120.0
315.3010559082031	128.0
316.093505859375	264.0
316.2335205078125	156.0
317.25531005859375	144.0
591.919677734375	148.0
1916.3377685546875	156.0
1959.4439697265625	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078975
PEPMASS=391.141998
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=PICEID [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
INCHI=InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
INCHIAUX=HSTZMXCBWJGKHG-CUYWLFDKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078975
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078975
SCANS=1064
52.860626220703125	144.0
53.5778923034668	212.0
68.36760711669922	256.0
77.88516235351562	152.0
77.96422576904297	152.0
78.05036163330078	196.0
85.65616607666016	184.0
91.05475616455078	216.0
92.05802917480469	216.0
92.33930969238281	152.0
96.9061050415039	164.0
107.05095672607422	344.0
108.05848693847656	176.0
119.04615020751953	280.0
119.29948425292969	192.0
120.05501556396484	156.0
125.07415771484375	240.0
126.4580078125	148.0
131.0460205078125	172.0
133.00897216796875	140.0
135.0431365966797	1440.0
135.32391357421875	120.0
136.05206298828125	268.0
137.05624389648438	216.0
142.0784149169922	188.0
145.05044555664062	164.0
146.05226135253906	160.0
154.07411193847656	220.0
155.07980346679688	164.0
157.09783935546875	164.0
161.069091796875	152.0
165.06788635253906	416.0
173.0648956298828	168.0
183.07691955566406	180.0
186.07049560546875	144.0
187.0763702392578	148.0
189.25775146484375	192.0
193.06759643554688	144.0
194.076904296875	348.0
199.08070373535156	176.0
203.0027313232422	140.0
207.04086303710938	156.0
210.0657196044922	168.0
211.07647705078125	364.0
223.0794677734375	156.0
223.10028076171875	188.0
227.0751190185547	168.0
228.07911682128906	552.0
229.08641052246094	9644.0
229.1788787841797	208.0
229.31146240234375	216.0
230.08966064453125	1716.0
231.08779907226562	116.0
231.9063262939453	96.0
232.03199768066406	160.0
237.12258911132812	144.0
279.18701171875	160.0
295.0914611816406	192.0
298.0896911621094	184.0
315.0804443359375	200.0
324.4833679199219	168.0
337.10528564453125	192.0
339.1254577636719	156.0
374.965576171875	140.0
379.3254699707031	320.0
384.12396240234375	220.0
388.0802917480469	176.0
388.1993103027344	140.0
389.1034240722656	196.0
389.1645812988281	156.0
390.2489929199219	160.0
392.0802001953125	212.0
392.12274169921875	152.0
392.2567443847656	144.0
393.1208190917969	152.0
405.11529541015625	180.0
623.0616455078125	168.0
1315.8233642578125	212.0
1462.8826904296875	184.0
1805.480224609375	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078976
PEPMASS=322.181641
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1
INCHI=InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)
INCHIAUX=YKGYIDJEEQRWQH-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078976
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078976
SCANS=1157
45.57684326171875	152.0
45.75303649902344	140.0
45.89450454711914	156.0
46.873172760009766	156.0
48.12000274658203	160.0
48.684959411621094	168.0
49.62125778198242	204.0
50.15404510498047	160.0
50.18629837036133	164.0
51.18543243408203	172.0
51.340267181396484	104.0
51.707923889160156	164.0
51.941471099853516	180.0
52.02901077270508	164.0
52.80858612060547	156.0
54.6540641784668	160.0
54.66877746582031	156.0
54.855831146240234	164.0
56.67198944091797	188.0
56.76042556762695	144.0
58.207542419433594	204.0
58.75090408325195	172.0
60.89987564086914	172.0
61.209354400634766	188.0
62.001373291015625	232.0
62.93363952636719	136.0
63.96627426147461	168.0
64.109619140625	148.0
64.22441101074219	164.0
66.00709533691406	144.0
66.2984848022461	168.0
66.9515609741211	156.0
67.26786804199219	148.0
67.42630004882812	192.0
67.52439880371094	140.0
68.2442855834961	196.0
70.0948715209961	188.0
71.32833862304688	140.0
71.78291320800781	164.0
73.8104476928711	188.0
74.70916748046875	152.0
75.00535583496094	164.0
75.79342651367188	156.0
78.77301025390625	160.0
79.14440155029297	156.0
79.48295593261719	164.0
79.49715423583984	184.0
79.88092041015625	176.0
80.10699462890625	148.0
80.39048767089844	240.0
80.51187896728516	204.0
81.32649230957031	172.0
81.94690704345703	180.0
82.19573211669922	160.0
82.34737396240234	164.0
82.71623229980469	220.0
83.86054992675781	140.0
84.21268463134766	140.0
85.04209899902344	196.0
85.55679321289062	196.0
85.70597839355469	168.0
86.25224304199219	148.0
86.78726959228516	140.0
87.07489776611328	180.0
87.77088928222656	144.0
89.06219482421875	180.0
90.20408630371094	188.0
91.99544525146484	140.0
92.27053833007812	192.0
92.35765838623047	144.0
93.65797424316406	216.0
94.06603240966797	676.0
95.04957580566406	1316.0
95.47146606445312	168.0
96.0810775756836	4052.0
97.0665283203125	612.0
97.08505249023438	268.0
97.7032699584961	152.0
98.36540222167969	148.0
99.84945678710938	212.0
100.1380386352539	140.0
100.44300079345703	160.0
101.09232330322266	152.0
101.40874481201172	152.0
101.52903747558594	152.0
101.63334655761719	176.0
101.6646728515625	236.0
102.16576385498047	264.0
102.43148040771484	160.0
102.67334747314453	152.0
103.74701690673828	144.0
104.22396850585938	140.0
104.81404876708984	168.0
104.87518310546875	152.0
105.37310791015625	184.0
105.48141479492188	172.0
106.39300537109375	172.0
107.04683685302734	184.0
107.1395263671875	232.0
107.3971939086914	240.0
108.8209457397461	148.0
109.20538330078125	140.0
109.36975860595703	172.0
110.00552368164062	232.0
110.0595932006836	168.0
110.23944091796875	152.0
110.51127624511719	160.0
110.57614135742188	164.0
110.73553466796875	132.0
111.06085968017578	172.0
111.09219360351562	1348.0
112.07440948486328	312.0
112.10712432861328	200.0
112.58177947998047	168.0
113.11034393310547	148.0
113.23103332519531	160.0
113.63591003417969	164.0
113.99262237548828	216.0
114.0915298461914	7068.0
114.13291931152344	220.0
114.64592742919922	144.0
115.09516906738281	840.0
116.30461120605469	108.0
116.87725067138672	168.0
117.81510925292969	288.0
118.1913070678711	188.0
118.62445068359375	168.0
118.68082427978516	272.0
118.8717041015625	168.0
119.17352294921875	164.0
119.70643615722656	140.0
120.80207824707031	184.0
120.98371124267578	180.0
121.02902221679688	8180.0
122.03236389160156	900.0
122.0601577758789	352.0
122.55183410644531	196.0
123.03958892822266	180.0
123.08134460449219	808.0
123.20175170898438	144.0
124.11674499511719	200.0
124.76282501220703	176.0
127.46278381347656	148.0
127.8608169555664	172.0
128.119873046875	160.0
129.06768798828125	172.0
129.3595428466797	192.0
129.9691925048828	188.0
130.016845703125	140.0
130.9261932373047	152.0
131.35696411132812	168.0
133.3588409423828	144.0
134.01174926757812	200.0
134.46372985839844	196.0
135.08056640625	116.0
135.1893768310547	148.0
135.43479919433594	196.0
136.31407165527344	164.0
137.9427490234375	188.0
138.37832641601562	144.0
138.54928588867188	140.0
138.77427673339844	140.0
139.03890991210938	5388.0
139.0865020751953	3180.0
139.2764892578125	156.0
139.38690185546875	148.0
140.04159545898438	580.0
140.09127807617188	560.0
140.39442443847656	204.0
140.53594970703125	140.0
141.04653930664062	332.0
141.09097290039062	192.0
141.29908752441406	168.0
141.82952880859375	152.0
142.1663055419922	144.0
142.64608764648438	168.0
142.70314025878906	156.0
143.47927856445312	204.0
144.05679321289062	204.0
145.0594482421875	164.0
145.2921905517578	144.0
145.43603515625	168.0
145.59449768066406	184.0
147.0076141357422	240.0
147.44712829589844	192.0
147.62632751464844	128.0
148.2869415283203	168.0
148.68710327148438	148.0
149.9054718017578	148.0
150.85244750976562	160.0
151.66757202148438	144.0
151.69699096679688	192.0
151.96185302734375	140.0
152.0178680419922	208.0
152.19993591308594	172.0
152.27114868164062	144.0
152.5333709716797	188.0
154.5291290283203	140.0
154.9029541015625	144.0
155.69912719726562	160.0
155.91029357910156	200.0
156.11331176757812	1672.0
156.26089477539062	196.0
157.11727905273438	184.0
157.9347686767578	128.0
158.09739685058594	180.0
159.31092834472656	148.0
159.61253356933594	168.0
159.69802856445312	140.0
160.04531860351562	244.0
160.32374572753906	172.0
160.57955932617188	140.0
161.69625854492188	168.0
162.99209594726562	172.0
163.10646057128906	156.0
163.77566528320312	172.0
164.5548858642578	184.0
164.83184814453125	144.0
165.02354431152344	196.0
165.113037109375	256.0
165.47384643554688	140.0
165.54296875	232.0
165.67103576660156	168.0
166.14273071289062	204.0
166.34033203125	156.0
166.5380401611328	184.0
166.57400512695312	152.0
167.07086181640625	2672.0
167.6546173095703	152.0
167.73451232910156	144.0
168.07460021972656	508.0
169.01644897460938	96.0
169.07351684570312	248.0
169.34942626953125	160.0
169.49191284179688	152.0
169.67333984375	176.0
170.58453369140625	144.0
171.263671875	144.0
173.09805297851562	172.0
173.4297332763672	148.0
174.12655639648438	248.0
174.2901153564453	136.0
174.5060272216797	232.0
174.89010620117188	168.0
175.9788360595703	148.0
176.34866333007812	240.0
177.06765747070312	148.0
177.53208923339844	224.0
178.00442504882812	208.0
178.53857421875	152.0
178.69284057617188	160.0
178.94834899902344	148.0
179.07000732421875	200.0
179.7052764892578	148.0
180.46267700195312	132.0
180.74313354492188	188.0
181.79200744628906	120.0
182.31336975097656	144.0
182.40206909179688	152.0
182.68710327148438	144.0
182.7705078125	168.0
182.988525390625	220.0
183.55435180664062	196.0
183.58212280273438	120.0
183.65951538085938	208.0
184.32093811035156	144.0
184.3506622314453	176.0
184.83200073242188	196.0
185.10101318359375	168.0
185.75042724609375	164.0
185.92677307128906	176.0
186.67111206054688	144.0
187.1363983154297	196.0
188.28167724609375	140.0
188.3117218017578	176.0
189.3318328857422	176.0
189.56195068359375	176.0
189.75106811523438	144.0
190.266845703125	140.0
190.47555541992188	160.0
190.75308227539062	140.0
190.87130737304688	156.0
190.9125518798828	248.0
191.02210998535156	168.0
191.1095733642578	204.0
192.26339721679688	228.0
193.08016967773438	244.0
193.51576232910156	168.0
194.09718322753906	184.0
194.42657470703125	204.0
195.37962341308594	156.0
195.4909210205078	148.0
195.5187530517578	204.0
195.891845703125	148.0
196.12591552734375	160.0
196.58888244628906	140.0
197.3710174560547	152.0
197.87464904785156	172.0
198.8473358154297	140.0
199.32473754882812	188.0
199.6423797607422	172.0
200.30191040039062	144.0
200.48129272460938	168.0
202.0823211669922	288.0
202.291748046875	152.0
202.804443359375	196.0
202.9405059814453	180.0
203.19577026367188	184.0
203.7238006591797	144.0
203.9141845703125	212.0
204.25253295898438	160.0
204.73922729492188	216.0
205.64869689941406	192.0
205.95420837402344	144.0
206.08847045898438	140.0
208.88653564453125	144.0
211.26931762695312	148.0
211.4342498779297	176.0
211.9670867919922	148.0
212.32945251464844	164.0
212.80824279785156	140.0
212.9862823486328	248.0
213.13645935058594	188.0
213.27304077148438	160.0
214.1331787109375	172.0
214.4126434326172	104.0
214.55807495117188	108.0
214.8563690185547	192.0
216.31539916992188	188.0
216.46531677246094	96.0
216.9950408935547	156.0
217.081298828125	172.0
218.01947021484375	148.0
218.12527465820312	204.0
218.43109130859375	148.0
218.5458221435547	148.0
218.6988525390625	172.0
219.32327270507812	168.0
219.72137451171875	156.0
219.96334838867188	160.0
220.95924377441406	168.0
221.11993408203125	172.0
221.18414306640625	144.0
221.4447021484375	168.0
221.67282104492188	168.0
222.3934783935547	168.0
222.4647216796875	196.0
222.72900390625	180.0
222.96966552734375	212.0
223.26397705078125	152.0
224.36268615722656	196.0
224.63064575195312	136.0
225.6912841796875	156.0
226.33758544921875	168.0
226.8978729248047	172.0
227.22177124023438	156.0
227.59393310546875	144.0
228.2561492919922	208.0
229.4352264404297	168.0
229.5558319091797	164.0
230.277099609375	176.0
231.0206756591797	172.0
231.19920349121094	180.0
231.52615356445312	140.0
232.1868133544922	184.0
232.26263427734375	164.0
232.314208984375	148.0
233.95217895507812	156.0
234.95175170898438	140.0
235.0402374267578	140.0
235.09933471679688	336.0
235.65321350097656	200.0
236.7520751953125	144.0
236.94810485839844	184.0
237.99703979492188	188.0
239.24835205078125	140.0
239.33456420898438	180.0
240.5276336669922	204.0
240.55233764648438	152.0
240.69906616210938	148.0
241.59616088867188	112.0
242.07037353515625	152.0
242.36463928222656	224.0
242.4545135498047	172.0
245.15818786621094	144.0
245.34832763671875	196.0
245.38885498046875	144.0
246.33078002929688	188.0
246.659423828125	156.0
247.07533264160156	160.0
247.3100128173828	176.0
247.5792694091797	140.0
249.5844268798828	152.0
250.07833862304688	188.0
250.89418029785156	148.0
251.18902587890625	136.0
251.4497528076172	148.0
251.512451171875	144.0
252.12484741210938	196.0
252.548828125	164.0
253.54612731933594	140.0
254.76136779785156	180.0
254.87574768066406	152.0
255.9476776123047	144.0
256.71881103515625	152.0
256.906982421875	148.0
257.1814270019531	160.0
258.274169921875	208.0
258.5461120605469	244.0
259.10748291015625	2084.0
259.6866455078125	164.0
260.1114501953125	500.0
260.29962158203125	156.0
260.34942626953125	140.0
261.11907958984375	192.0
261.4808349609375	172.0
262.8683776855469	160.0
263.1241760253906	416.0
264.1334228515625	284.0
265.44000244140625	144.0
265.58270263671875	140.0
267.8221740722656	156.0
268.1284484863281	184.0
269.234375	144.0
269.4336242675781	140.0
269.7702331542969	200.0
270.12994384765625	188.0
270.58154296875	144.0
272.53631591796875	140.0
273.1971435546875	192.0
274.2047119140625	160.0
274.33984375	148.0
274.6596984863281	196.0
275.7988586425781	160.0
276.06011962890625	132.0
276.1164245605469	152.0
276.3147277832031	176.0
276.612548828125	200.0
277.0231628417969	160.0
277.076171875	180.0
277.1183166503906	1964.0
277.9647521972656	220.0
278.12603759765625	628.0
278.5450134277344	176.0
279.2570495605469	224.0
280.15509033203125	1780.0
281.01593017578125	144.0
281.06597900390625	156.0
281.157958984375	480.0
281.3534240722656	160.0
281.590087890625	224.0
281.7671203613281	144.0
282.11468505859375	148.0
282.6297302246094	184.0
283.3830871582031	160.0
283.55731201171875	156.0
283.94622802734375	148.0
284.34210205078125	164.0
285.8139953613281	244.0
287.1903076171875	204.0
288.1133728027344	232.0
288.70489501953125	168.0
289.1514587402344	196.0
289.594970703125	144.0
290.10662841796875	160.0
290.1303405761719	140.0
291.458740234375	172.0
291.83807373046875	228.0
291.9775085449219	144.0
292.8896484375	240.0
293.0010681152344	204.0
293.45355224609375	132.0
293.56787109375	188.0
294.1451721191406	6732.0
294.21954345703125	244.0
294.3219909667969	140.0
295.14959716796875	828.0
295.2143249511719	140.0
295.35406494140625	152.0
296.1492919921875	160.0
296.2063903808594	176.0
296.72039794921875	200.0
296.7615661621094	148.0
297.7841491699219	196.0
297.94561767578125	140.0
298.11395263671875	212.0
298.4471740722656	124.0
298.7947692871094	188.0
299.472900390625	204.0
299.8760070800781	168.0
300.4084167480469	128.0
301.6847229003906	164.0
302.352294921875	168.0
302.4422607421875	208.0
302.4837951660156	164.0
305.14971923828125	636.0
305.8019714355469	148.0
305.92388916015625	184.0
306.1501159667969	144.0
306.44976806640625	164.0
306.6867370605469	172.0
306.8720397949219	152.0
307.0493469238281	172.0
307.647705078125	108.0
307.85198974609375	152.0
307.97772216796875	152.0
308.22576904296875	148.0
308.6592102050781	192.0
308.9425048828125	140.0
309.01947021484375	164.0
309.2889099121094	140.0
309.95782470703125	148.0
310.3293762207031	172.0
311.4558410644531	160.0
311.8880310058594	144.0
312.2572021484375	164.0
314.116943359375	144.0
314.1945495605469	176.0
316.02783203125	120.0
316.2157287597656	144.0
317.067138671875	200.0
317.1543273925781	196.0
317.9346008300781	192.0
318.00555419921875	204.0
318.3179626464844	212.0
318.5853271484375	148.0
318.6412048339844	180.0
318.8850402832031	128.0
319.0321044921875	176.0
319.138916015625	104.0
319.191162109375	148.0
319.26849365234375	108.0
319.32012939453125	196.0
319.4007873535156	204.0
319.6599426269531	108.0
319.6907043457031	168.0
319.93841552734375	100.0
320.04595947265625	124.0
320.1351013183594	140.0
320.1767578125	232.0
320.2055969238281	192.0
320.26318359375	108.0
320.4654846191406	108.0
320.4798889160156	164.0
320.7478942871094	180.0
320.77996826171875	100.0
320.83026123046875	156.0
320.8700256347656	144.0
320.9659729003906	156.0
321.0226135253906	452.0
321.0633544921875	288.0
321.0922546386719	260.0
321.1448059082031	116.0
321.2850341796875	176.0
321.32891845703125	224.0
321.3934020996094	236.0
321.4510498046875	204.0
321.4882507324219	212.0
321.51287841796875	192.0
321.54327392578125	216.0
321.5866394042969	188.0
321.6465148925781	236.0
321.71221923828125	388.0
321.7374267578125	264.0
321.7950134277344	336.0
321.8402404785156	364.0
321.87774658203125	160.0
321.9278259277344	308.0
321.9388427734375	228.0
321.9570617675781	140.0
321.96337890625	220.0
322.0040588378906	392.0
322.031982421875	292.0
322.0690002441406	664.0
322.1788330078125	199920.0
322.283447265625	108.0
322.3087463378906	156.0
322.359375	216.0
322.4236755371094	216.0
322.5135192871094	928.0
322.56744384765625	300.0
322.61578369140625	264.0
322.663818359375	120.0
322.72418212890625	452.0
322.76861572265625	8228.0
322.8077087402344	384.0
322.85089111328125	332.0
322.8977966308594	184.0
322.9446105957031	140.0
322.9804992675781	132.0
323.014892578125	112.0
323.03851318359375	292.0
323.08245849609375	616.0
323.1214599609375	300.0
323.1806335449219	85448.0
323.3581848144531	96.0
323.42474365234375	112.0
323.53741455078125	272.0
323.61871337890625	208.0
323.6276550292969	220.0
323.65765380859375	184.0
323.6978454589844	304.0
323.736572265625	196.0
323.8728332519531	116.0
323.9122619628906	192.0
324.0080871582031	112.0
324.0553283691406	204.0
324.1828308105469	9472.0
324.3038330078125	108.0
324.3807373046875	152.0
324.4429931640625	136.0
324.47491455078125	272.0
324.5091552734375	104.0
324.5527648925781	204.0
324.66412353515625	100.0
324.7064208984375	132.0
324.7363586425781	208.0
324.8360595703125	144.0
324.8939514160156	284.0
325.00592041015625	360.0
325.0316467285156	164.0
325.0690002441406	272.0
325.1244812011719	200.0
325.1860046386719	760.0
325.25933837890625	116.0
325.3445129394531	232.0
325.380126953125	256.0
325.4373474121094	264.0
325.4771728515625	148.0
325.51129150390625	168.0
325.70806884765625	108.0
325.7647705078125	144.0
325.9512634277344	124.0
325.97802734375	108.0
326.1775817871094	124.0
326.24078369140625	104.0
326.2858581542969	144.0
326.3306884765625	112.0
326.3852233886719	172.0
326.5481262207031	124.0
327.993408203125	100.0
328.43731689453125	124.0
329.36444091796875	100.0
329.48974609375	112.0
333.81146240234375	164.0
334.3886413574219	156.0
338.52490234375	156.0
339.7904968261719	124.0
341.9744567871094	104.0
384.2139587402344	148.0
498.847412109375	100.0
819.215576171875	140.0
1140.333251953125	164.0
1301.9920654296875	152.0
1307.2470703125	152.0
1331.341552734375	168.0
1335.687744140625	176.0
1348.7325439453125	184.0
1349.6097412109375	144.0
1356.2349853515625	188.0
1412.2056884765625	160.0
1418.5028076171875	152.0
1426.96337890625	184.0
1499.1812744140625	160.0
1538.9437255859375	156.0
1561.472900390625	164.0
1571.7847900390625	212.0
1591.430419921875	192.0
1591.914794921875	240.0
1594.6873779296875	144.0
1615.5469970703125	228.0
1627.6732177734375	188.0
1636.638671875	236.0
1649.5872802734375	168.0
1649.8863525390625	148.0
1653.194580078125	148.0
1666.8502197265625	140.0
1670.1346435546875	160.0
1680.5621337890625	180.0
1685.3140869140625	160.0
1689.9664306640625	168.0
1737.9703369140625	188.0
1747.716796875	164.0
1763.5113525390625	232.0
1766.739013671875	152.0
1786.1923828125	140.0
1827.970458984375	216.0
1849.1434326171875	196.0
1852.7825927734375	140.0
1909.3472900390625	144.0
1931.326171875	160.0
1965.8182373046875	204.0
1967.3804931640625	176.0
1977.6077880859375	204.0
1981.6280517578125	244.0
1981.6900634765625	160.0
1985.661376953125	252.0
1989.4146728515625	184.0
1993.998046875	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078977
PEPMASS=194.083801
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ACTARIT [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(=O)Nc1ccc(CC(=O)O)cc1
INCHI=InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
INCHIAUX=MROJXXOCABQVEF-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078977
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078977
SCANS=1036
45.16795349121094	180.0
45.68306350708008	148.0
45.945762634277344	184.0
46.1929817199707	156.0
46.57387924194336	176.0
47.118778228759766	180.0
47.65878677368164	272.0
48.833675384521484	168.0
48.91159439086914	216.0
49.68016815185547	152.0
51.2509651184082	164.0
51.71222686767578	176.0
52.0448112487793	140.0
52.16980743408203	172.0
52.329498291015625	164.0
52.63084411621094	156.0
53.0968132019043	192.0
53.583770751953125	160.0
53.99979782104492	176.0
54.93252182006836	184.0
55.54048156738281	144.0
55.97742462158203	212.0
59.829811096191406	252.0
59.87138748168945	192.0
61.4665641784668	168.0
61.53992462158203	148.0
62.188018798828125	172.0
63.5324592590332	168.0
63.745216369628906	140.0
64.03316497802734	148.0
64.8896713256836	200.0
65.00997161865234	160.0
65.47940826416016	196.0
66.07180786132812	140.0
66.09284210205078	180.0
67.99625396728516	144.0
68.33311462402344	164.0
68.63782501220703	156.0
69.65399932861328	204.0
71.66156768798828	160.0
72.10367584228516	204.0
72.69300842285156	292.0
73.14509582519531	160.0
76.8907470703125	196.0
77.74127197265625	148.0
77.90631866455078	148.0
78.28094482421875	232.0
78.64588928222656	192.0
79.33930969238281	164.0
80.05535888671875	144.0
81.43603515625	188.0
81.73445892333984	164.0
82.06407165527344	264.0
82.59681701660156	152.0
83.50917053222656	156.0
83.99002838134766	180.0
84.38813781738281	152.0
84.74687194824219	180.0
85.10453033447266	140.0
87.30164337158203	188.0
87.78955078125	152.0
87.98920440673828	152.0
89.53240966796875	152.0
90.53899383544922	156.0
90.76951599121094	216.0
91.75127410888672	144.0
92.77789306640625	140.0
93.38851928710938	192.0
94.04396057128906	180.0
97.98678588867188	224.0
98.36739349365234	160.0
98.6637191772461	192.0
98.96047973632812	140.0
101.64139556884766	180.0
102.82669830322266	160.0
103.23882293701172	172.0
103.42293548583984	168.0
103.94580078125	228.0
104.67605590820312	180.0
105.05260467529297	196.0
105.25261688232422	160.0
105.71050262451172	168.0
105.72891998291016	204.0
105.8927001953125	208.0
106.00489807128906	204.0
106.06578826904297	36872.0
106.17658996582031	108.0
106.22801971435547	108.0
106.26899719238281	116.0
106.29563903808594	184.0
106.40731811523438	104.0
106.9706802368164	140.0
107.05007934570312	664.0
107.0691146850586	4016.0
107.14984893798828	152.0
107.21843719482422	152.0
107.62628173828125	156.0
107.7110824584961	136.0
107.83699798583984	156.0
107.88496398925781	116.0
108.05412292480469	184.0
108.23936462402344	144.0
111.32080078125	148.0
113.28612518310547	164.0
113.9450454711914	196.0
116.7675552368164	168.0
116.78691864013672	176.0
117.07962036132812	152.0
119.17788696289062	172.0
119.43224334716797	160.0
119.65202331542969	156.0
120.07038879394531	208.0
124.2387466430664	184.0
126.97342681884766	272.0
128.8123321533203	204.0
130.8055419921875	144.0
131.003662109375	152.0
131.63771057128906	176.0
134.75469970703125	200.0
134.95578002929688	172.0
136.5442352294922	176.0
138.85403442382812	212.0
140.3873748779297	176.0
141.75372314453125	148.0
142.54629516601562	184.0
143.00765991210938	148.0
143.07907104492188	148.0
144.9923553466797	180.0
146.2244110107422	160.0
147.35292053222656	144.0
147.80264282226562	192.0
147.8690948486328	180.0
148.0049591064453	232.0
148.07684326171875	42200.0
148.16165161132812	128.0
148.788330078125	116.0
148.94850158691406	124.0
149.07981872558594	4388.0
150.08213806152344	144.0
150.2241973876953	112.0
151.0627899169922	120.0
151.5573272705078	192.0
152.07205200195312	2684.0
152.10568237304688	180.0
153.0781707763672	324.0
154.08016967773438	348.0
156.45753479003906	180.0
156.91094970703125	208.0
157.04811096191406	204.0
160.00254821777344	184.0
160.4001007080078	216.0
160.5392303466797	188.0
160.57958984375	168.0
161.84817504882812	224.0
161.9798583984375	168.0
163.12428283691406	216.0
166.08377075195312	332.0
168.92237854003906	164.0
172.9739990234375	188.0
176.0698699951172	456.0
177.07627868652344	336.0
184.0940704345703	140.0
192.10243225097656	152.0
193.45651245117188	140.0
194.0244140625	188.0
194.0826873779297	50552.0
194.20089721679688	140.0
194.2355194091797	128.0
194.34783935546875	96.0
194.9403533935547	164.0
194.96815490722656	144.0
195.08445739746094	4832.0
195.12380981445312	140.0
195.15599060058594	132.0
195.31826782226562	120.0
196.0867919921875	548.0
196.4502410888672	108.0
196.69078063964844	96.0
197.12576293945312	160.0
210.2292022705078	152.0
212.08834838867188	196.0
232.03221130371094	156.0
232.1171112060547	168.0
238.04315185546875	156.0
312.8800964355469	144.0
434.8006591796875	160.0
1256.3299560546875	204.0
1380.45703125	200.0
1397.569580078125	212.0
1405.385498046875	184.0
1415.3116455078125	184.0
1451.510498046875	192.0
1471.4300537109375	176.0
1474.3707275390625	180.0
1482.1990966796875	172.0
1489.81005859375	232.0
1495.8466796875	192.0
1496.6627197265625	160.0
1507.5081787109375	184.0
1512.759765625	140.0
1549.0638427734375	228.0
1549.894287109375	188.0
1573.5689697265625	184.0
1574.7613525390625	152.0
1576.6732177734375	140.0
1599.627197265625	140.0
1605.7545166015625	180.0
1630.485107421875	208.0
1652.321044921875	244.0
1655.8582763671875	164.0
1658.6131591796875	240.0
1700.0208740234375	200.0
1700.5050048828125	180.0
1708.5577392578125	176.0
1714.0164794921875	164.0
1715.86279296875	188.0
1722.80322265625	192.0
1745.562744140625	160.0
1746.4609375	160.0
1761.58154296875	192.0
1766.7979736328125	140.0
1769.4927978515625	180.0
1772.558349609375	140.0
1788.0521240234375	144.0
1807.56298828125	144.0
1809.128662109375	148.0
1814.915283203125	152.0
1819.411865234375	148.0
1823.455078125	180.0
1827.775146484375	176.0
1840.8426513671875	168.0
1843.7471923828125	236.0
1855.00244140625	140.0
1858.1754150390625	164.0
1861.660400390625	160.0
1881.4207763671875	140.0
1890.3924560546875	160.0
1903.6033935546875	144.0
1905.088623046875	164.0
1910.443603515625	148.0
1914.40380859375	188.0
1917.5662841796875	164.0
1920.9930419921875	160.0
1924.4315185546875	168.0
1927.174072265625	204.0
1940.9598388671875	140.0
1947.524169921875	148.0
1955.2171630859375	172.0
1960.449462890625	148.0
1962.057373046875	256.0
1967.327880859375	176.0
1978.6260986328125	188.0
1982.1866455078125	220.0
1991.9547119140625	176.0
1993.1986083984375	156.0
2001.515380859375	184.0
2001.95166015625	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078978
PEPMASS=177.067886
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=23.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="2-amino-5-phenyl-1,3-oxazol-4-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=NC1=NC(=O)C(O1)c2ccccc2
INCHI=InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)
INCHIAUX=NRNCYVBFPDDJNE-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078978
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078978
SCANS=1028
57.307533264160156	164.0
63.403987884521484	148.0
67.60617065429688	264.0
67.90270233154297	252.0
68.33472442626953	140.0
69.55267333984375	236.0
82.10550689697266	172.0
85.96041107177734	200.0
86.0600814819336	224.0
87.25697326660156	152.0
91.64068603515625	224.0
92.6571044921875	152.0
98.25288391113281	172.0
99.01587677001953	156.0
105.03495025634766	164.0
105.08723449707031	176.0
106.06584167480469	10956.0
107.0484848022461	132.0
107.06975555419922	1000.0
107.74010467529297	144.0
108.07268524169922	280.0
116.04598236083984	176.0
117.93505859375	148.0
124.49171447753906	156.0
132.04449462890625	124.0
133.05271911621094	128.0
134.05758666992188	196.0
148.06948852539062	144.0
149.0607147216797	180.0
157.99725341796875	176.0
159.97727966308594	140.0
160.041259765625	184.0
176.13458251953125	208.0
177.06617736816406	1276.0
178.0667724609375	176.0
226.0142364501953	176.0
238.03073120117188	160.0
1405.4967041015625	204.0
1440.3316650390625	172.0
1479.83154296875	180.0
1516.9342041015625	156.0
1527.0360107421875	144.0
1553.7196044921875	248.0
1671.59033203125	188.0
1673.853271484375	228.0
1701.349609375	176.0
1734.909423828125	192.0
1832.5252685546875	180.0
1835.0821533203125	140.0
1837.2484130859375	192.0
1869.2325439453125	168.0
1883.760009765625	172.0
1896.271728515625	144.0
1903.1768798828125	280.0
1964.961669921875	144.0
1980.4669189453125	140.0
1987.1331787109375	196.0
2000.4013671875	196.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078979
PEPMASS=256.018585
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl
INCHI=InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
INCHIAUX=PYZRQGJRPPTADH-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078979
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078979
SCANS=1047
45.54729080200195	216.0
45.58491134643555	212.0
45.96464538574219	164.0
46.08481979370117	188.0
47.20751953125	108.0
47.263702392578125	156.0
50.17096710205078	176.0
50.5933723449707	176.0
51.69218444824219	152.0
53.43817138671875	176.0
53.47163772583008	172.0
54.75564193725586	172.0
55.04468536376953	152.0
55.70672607421875	208.0
56.12940979003906	152.0
56.80842590332031	200.0
57.304542541503906	144.0
57.942115783691406	196.0
58.18021774291992	168.0
59.2906608581543	188.0
59.800559997558594	244.0
60.245567321777344	168.0
60.612876892089844	148.0
61.06307601928711	184.0
61.752445220947266	148.0
64.46446228027344	180.0
64.74064636230469	204.0
64.77267456054688	180.0
64.79991149902344	204.0
65.7486343383789	172.0
66.87510681152344	104.0
68.19990539550781	176.0
68.61803436279297	188.0
69.47138977050781	144.0
73.8070297241211	152.0
73.88399505615234	200.0
74.06373596191406	196.0
74.75390625	184.0
76.74943542480469	160.0
77.50348663330078	220.0
77.61145782470703	168.0
78.07152557373047	148.0
78.11022186279297	196.0
80.34231567382812	156.0
80.57975769042969	152.0
80.88018798828125	172.0
82.0929183959961	236.0
82.43228912353516	140.0
82.54978942871094	172.0
83.18754577636719	152.0
83.25109100341797	172.0
83.36034393310547	140.0
83.37443542480469	196.0
84.03744506835938	180.0
84.52896881103516	156.0
85.00540161132812	176.0
86.85984802246094	152.0
87.06376647949219	140.0
87.44488525390625	184.0
87.78581237792969	140.0
88.7675552368164	156.0
89.19805908203125	104.0
90.04348754882812	212.0
91.18212127685547	220.0
91.22773742675781	204.0
91.85614776611328	140.0
92.56328582763672	204.0
93.12711334228516	192.0
94.48418426513672	196.0
94.78816223144531	168.0
95.14892578125	188.0
96.6183853149414	144.0
97.07083129882812	144.0
98.1030502319336	160.0
98.6913833618164	148.0
98.8199462890625	144.0
99.12289428710938	152.0
99.96882629394531	144.0
101.34062194824219	184.0
105.55706787109375	160.0
106.23089599609375	164.0
106.44434356689453	200.0
107.57052612304688	184.0
107.60149383544922	176.0
107.84732055664062	168.0
108.00238800048828	176.0
108.19276428222656	200.0
108.43719482421875	248.0
108.8105697631836	148.0
108.9185562133789	148.0
108.9621810913086	160.0
108.98385620117188	152.0
109.2178726196289	148.0
109.72180938720703	164.0
110.98161315917969	180.0
111.99547576904297	156.0
114.98502349853516	164.0
115.00849914550781	140.0
115.02984619140625	144.0
116.04602813720703	168.0
116.55257415771484	220.0
119.42134857177734	180.0
119.9373779296875	220.0
120.9610366821289	120.0
121.44827270507812	180.0
121.54510498046875	144.0
121.8060531616211	144.0
122.99893951416016	532.0
123.1518783569336	148.0
123.83087921142578	156.0
123.88847351074219	176.0
124.24539184570312	172.0
124.34302520751953	164.0
124.82953643798828	184.0
124.94075012207031	176.0
125.00048828125	212.0
125.19671630859375	168.0
125.71836853027344	184.0
125.96619415283203	160.0
125.99198913574219	272.0
127.02051544189453	144.0
127.1326904296875	188.0
127.28309631347656	160.0
127.99139404296875	140.0
128.07728576660156	144.0
128.21665954589844	144.0
128.7264862060547	148.0
129.04022216796875	132.0
130.5166015625	144.0
131.01502990722656	140.0
131.06167602539062	288.0
131.7998809814453	176.0
132.67417907714844	168.0
132.94482421875	168.0
132.9632568359375	488.0
133.91270446777344	148.0
134.08758544921875	124.0
134.3299102783203	140.0
134.9590301513672	156.0
136.9957733154297	208.0
137.2008514404297	196.0
137.41542053222656	148.0
137.51809692382812	140.0
137.56944274902344	196.0
138.0101776123047	900.0
138.0355224609375	156.0
138.87747192382812	220.0
139.00885009765625	156.0
139.3751678466797	152.0
140.00323486328125	308.0
140.90899658203125	156.0
141.59024047851562	212.0
141.61155700683594	204.0
142.04295349121094	188.0
142.6270751953125	200.0
143.68438720703125	184.0
143.8920135498047	248.0
144.884521484375	156.0
144.9735565185547	224.0
145.81312561035156	268.0
146.24122619628906	156.0
146.9583740234375	152.0
147.1355438232422	144.0
147.9914093017578	144.0
150.0074462890625	484.0
151.01736450195312	1944.0
151.10679626464844	264.0
151.1337127685547	192.0
152.01438903808594	1996.0
152.1876678466797	172.0
153.0160369873047	672.0
153.32167053222656	140.0
153.35617065429688	140.0
153.62741088867188	156.0
154.01365661621094	160.0
154.44256591796875	164.0
155.27474975585938	220.0
156.45912170410156	208.0
156.66172790527344	180.0
156.9609832763672	1912.0
157.17428588867188	160.0
157.96018981933594	200.0
158.06591796875	232.0
158.13494873046875	164.0
158.36277770996094	196.0
158.5231170654297	176.0
158.65345764160156	208.0
158.9759521484375	2576.0
159.3184814453125	192.0
159.97227478027344	704.0
160.1334686279297	196.0
160.74354553222656	152.0
160.9000244140625	164.0
160.9738311767578	2088.0
161.05484008789062	172.0
161.18795776367188	144.0
161.65577697753906	192.0
161.97088623046875	488.0
162.9678192138672	136.0
163.00990295410156	192.0
163.13697814941406	208.0
163.9983367919922	288.0
164.328857421875	204.0
165.0219268798828	2368.0
165.08493041992188	164.0
165.43800354003906	256.0
165.62493896484375	176.0
165.7120361328125	280.0
165.9906463623047	132.0
166.0295867919922	3512.0
166.23512268066406	152.0
166.9925079345703	152.0
167.02325439453125	432.0
167.1293182373047	140.0
168.02809143066406	676.0
170.40003967285156	212.0
170.56222534179688	148.0
170.96766662597656	476.0
171.00807189941406	228.0
171.430419921875	160.0
171.60507202148438	176.0
171.97264099121094	2884.0
172.06163024902344	140.0
172.97088623046875	816.0
173.13368225097656	208.0
173.39991760253906	212.0
173.6890411376953	184.0
173.97021484375	1780.0
174.9676055908203	192.0
174.9925994873047	144.0
175.7307586669922	184.0
175.81520080566406	184.0
175.98239135742188	520.0
176.0164031982422	272.0
176.47027587890625	224.0
176.98358154296875	160.0
177.0021209716797	272.0
178.01589965820312	520.0
178.879150390625	212.0
179.0236053466797	796.0
180.0270538330078	500.0
180.74734497070312	152.0
180.85171508789062	160.0
181.03713989257812	200.0
181.1864471435547	176.0
181.4624786376953	188.0
181.81387329101562	156.0
182.0232696533203	140.0
182.04342651367188	188.0
182.70594787597656	168.0
183.47616577148438	144.0
183.8376007080078	172.0
183.97161865234375	2416.0
184.6264190673828	140.0
184.77249145507812	212.0
184.97503662109375	516.0
185.07374572753906	168.0
185.96905517578125	932.0
185.9871368408203	1156.0
186.08102416992188	292.0
186.98150634765625	2576.0
187.5123291015625	156.0
187.75096130371094	228.0
187.98583984375	1280.0
188.97982788085938	1864.0
189.1073455810547	192.0
189.43975830078125	140.0
189.9019012451172	164.0
189.98675537109375	136.0
191.01773071289062	136.0
191.25096130371094	172.0
191.6530303955078	144.0
192.033447265625	168.0
192.05551147460938	208.0
192.77609252929688	148.0
192.89492797851562	232.0
193.0386199951172	512.0
193.4980010986328	140.0
194.03370666503906	400.0
194.08538818359375	176.0
194.2018585205078	160.0
194.6764373779297	188.0
194.70294189453125	128.0
194.9597930908203	168.0
194.98202514648438	180.0
195.0310516357422	300.0
195.19044494628906	156.0
195.96986389160156	180.0
196.08969116210938	164.0
196.96609497070312	536.0
197.925048828125	188.0
197.95562744140625	152.0
198.11270141601562	216.0
198.32846069335938	140.0
198.4209747314453	144.0
198.9646453857422	384.0
199.9755096435547	208.0
199.99517822265625	388.0
200.97476196289062	304.0
200.99623107910156	172.0
201.9927978515625	136.0
202.0200958251953	148.0
202.41065979003906	160.0
202.5352783203125	172.0
203.0526885986328	152.0
203.67837524414062	152.0
204.2696075439453	288.0
204.74493408203125	248.0
205.02981567382812	328.0
206.2656707763672	144.0
207.72604370117188	160.0
209.0419158935547	144.0
210.9824981689453	6200.0
211.5452423095703	152.0
211.98092651367188	1924.0
212.97946166992188	2144.0
213.0115509033203	168.0
213.28759765625	192.0
213.9246368408203	144.0
213.97865295410156	700.0
214.32945251464844	228.0
214.76675415039062	176.0
214.97735595703125	240.0
215.25411987304688	156.0
215.8297576904297	148.0
215.98861694335938	264.0
216.04910278320312	144.0
216.28472900390625	100.0
216.54672241210938	140.0
218.00479125976562	148.0
218.22230529785156	168.0
218.55465698242188	148.0
220.0402069091797	1652.0
220.12574768066406	156.0
221.04307556152344	424.0
221.14865112304688	176.0
221.54542541503906	220.0
222.0363311767578	428.0
222.44395446777344	204.0
222.73793029785156	152.0
223.03753662109375	144.0
223.52279663085938	244.0
224.0676727294922	152.0
226.31065368652344	224.0
226.42144775390625	224.0
226.99830627441406	120.0
227.0478057861328	252.0
229.0038299560547	1620.0
229.0885772705078	120.0
229.91993713378906	116.0
230.00538635253906	148.0
230.62457275390625	172.0
230.99945068359375	816.0
231.1931610107422	140.0
232.0054168701172	168.0
232.56304931640625	212.0
232.66624450683594	192.0
234.5492401123047	196.0
235.05856323242188	164.0
237.2208709716797	160.0
238.445556640625	156.0
238.98617553710938	124.0
239.99427795410156	148.0
240.98765563964844	168.0
241.66799926757812	196.0
243.23611450195312	140.0
243.658447265625	148.0
245.36392211914062	164.0
245.703857421875	164.0
247.2192840576172	156.0
247.9803009033203	156.0
248.27499389648438	204.0
249.15072631835938	160.0
249.19784545898438	144.0
249.2198486328125	148.0
251.10861206054688	180.0
251.51246643066406	156.0
251.9229736328125	176.0
252.44764709472656	156.0
253.04249572753906	200.0
253.4732666015625	180.0
253.62220764160156	184.0
253.93173217773438	148.0
254.13912963867188	100.0
254.21844482421875	176.0
254.6817169189453	148.0
254.7677459716797	148.0
254.9464569091797	144.0
255.04542541503906	216.0
255.1177978515625	180.0
255.14186096191406	252.0
255.19798278808594	180.0
255.3003692626953	140.0
255.41317749023438	176.0
255.51483154296875	180.0
255.5689239501953	172.0
255.71324157714844	124.0
255.7399444580078	280.0
255.76931762695312	432.0
255.84512329101562	112.0
255.88238525390625	204.0
256.0170593261719	168348.0
256.09173583984375	156.0
256.1435546875	224.0
256.21044921875	120.0
256.2344970703125	260.0
256.267578125	120.0
256.319091796875	144.0
256.39605712890625	188.0
256.4982604980469	128.0
256.54058837890625	1544.0
256.58428955078125	136.0
256.6623229980469	240.0
256.8248596191406	192.0
256.8886413574219	200.0
256.9380187988281	144.0
256.96728515625	252.0
257.0188903808594	17840.0
257.1485290527344	284.0
257.17388916015625	164.0
257.39447021484375	208.0
257.45196533203125	288.0
257.51873779296875	132.0
257.55255126953125	156.0
257.613525390625	128.0
257.7387390136719	180.0
257.82684326171875	228.0
257.8800964355469	112.0
257.9562072753906	176.0
258.0137023925781	112752.0
258.1961669921875	104.0
258.21868896484375	160.0
258.26068115234375	188.0
258.3712463378906	164.0
258.42572021484375	252.0
258.4734191894531	264.0
258.5410461425781	260.0
258.5715026855469	272.0
258.63555908203125	248.0
258.73529052734375	128.0
258.76171875	104.0
258.81317138671875	172.0
258.84478759765625	244.0
258.9165344238281	136.0
258.95068359375	244.0
259.0149841308594	6464.0
259.05712890625	256.0
259.207763671875	104.0
259.4603271484375	156.0
259.5619812011719	104.0
259.70611572265625	108.0
260.00653076171875	412.0
260.5474548339844	112.0
260.5972595214844	212.0
260.638671875	112.0
260.7716369628906	100.0
261.0155029296875	128.0
261.0618591308594	148.0
266.08245849609375	152.0
269.93701171875	152.0
271.8402099609375	156.0
271.9419250488281	148.0
281.0126037597656	168.0
291.8822937011719	156.0
299.0459899902344	164.0
623.1714477539062	156.0
1066.21630859375	140.0
1159.5482177734375	164.0
1326.5167236328125	200.0
1351.9580078125	168.0
1495.4307861328125	156.0
1559.5074462890625	232.0
1619.773681640625	148.0
1680.2767333984375	232.0
1730.8089599609375	140.0
1733.6171875	148.0
1755.6636962890625	144.0
1759.026123046875	176.0
1804.171142578125	216.0
1852.6370849609375	204.0
1885.1346435546875	232.0
1890.2364501953125	160.0
1914.1597900390625	184.0
1938.2685546875	176.0
1961.6290283203125	160.0
1982.2041015625	176.0
2002.1295166015625	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078980
PEPMASS=267.14032
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=HONOKIOL [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Oc1ccc(cc1CC=C)c2cc(CC=C)ccc2O
INCHI=InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
INCHIAUX=FVYXIJYOAGAUQK-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078980
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078980
SCANS=2158
47.67916488647461	168.0
53.02716064453125	160.0
59.88209915161133	156.0
66.43624114990234	148.0
76.88716888427734	204.0
93.84288787841797	176.0
95.89774322509766	164.0
119.5800552368164	212.0
134.06692504882812	144.0
142.0261993408203	144.0
152.0598602294922	156.0
154.07351684570312	172.0
165.01571655273438	160.0
165.0701904296875	172.0
166.0770721435547	148.0
168.0618896484375	176.0
169.11366271972656	184.0
170.07199096679688	212.0
178.76718139648438	160.0
179.0865478515625	188.0
180.0895233154297	148.0
181.05960083007812	132.0
182.0714111328125	148.0
182.10096740722656	172.0
183.08323669433594	372.0
184.08155822753906	112.0
193.06253051757812	268.0
194.0731964111328	196.0
195.07632446289062	160.0
197.05953979492188	1144.0
197.0962371826172	132.0
198.06570434570312	512.0
199.0736846923828	488.0
202.03968811035156	156.0
203.9793701171875	148.0
204.68777465820312	208.0
207.07850646972656	288.0
208.0886688232422	140.0
209.10362243652344	376.0
210.07186889648438	276.0
210.10488891601562	140.0
211.07606506347656	1160.0
211.10714721679688	192.0
211.51219177246094	276.0
219.08143615722656	176.0
222.10545349121094	152.0
223.07644653320312	160.0
224.0804443359375	356.0
225.09075927734375	1396.0
225.1219482421875	180.0
225.147216796875	204.0
226.09912109375	4464.0
227.10110473632812	732.0
228.10638427734375	224.0
231.11122131347656	192.0
232.13201904296875	160.0
234.11029052734375	144.0
237.09735107421875	236.0
238.094482421875	160.0
239.00807189941406	184.0
239.1036834716797	1828.0
240.11192321777344	312.0
249.087646484375	160.0
250.13160705566406	152.0
251.19790649414062	164.0
252.10940551757812	140.0
265.11236572265625	256.0
265.134521484375	148.0
265.2549743652344	172.0
266.1307373046875	164.0
267.0769348144531	144.0
267.13861083984375	2352.0
268.1419982910156	388.0
301.0935974121094	144.0
335.8092346191406	200.0
397.8621826171875	228.0
1990.984375	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078981
PEPMASS=405.123199
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=tosufloxacin tosilate [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=NC1CCN(C1)c2nc3n(cc(C(=O)O)c(=O)c3cc2F)c4ccc(F)cc4F
INCHI=InChI=1S/C19H15F3N4O3/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29)
INCHIAUX=WUWFMDMBOJLQIV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078981
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078981
SCANS=1069
48.66692352294922	200.0
50.36430358886719	172.0
50.64860916137695	144.0
53.11422348022461	160.0
54.99155044555664	160.0
61.990421295166016	172.0
62.89316940307617	152.0
62.968955993652344	148.0
65.00516510009766	140.0
65.59381103515625	188.0
66.48013305664062	172.0
66.63601684570312	176.0
69.12017059326172	152.0
69.98162841796875	160.0
70.02326202392578	152.0
71.02108001708984	188.0
71.92971801757812	184.0
74.28831481933594	152.0
74.72811889648438	252.0
75.7103042602539	180.0
75.83503723144531	144.0
78.35845947265625	144.0
78.48712158203125	144.0
79.55752563476562	152.0
79.62854766845703	168.0
79.83114624023438	168.0
81.62654113769531	148.0
81.81365966796875	188.0
82.07850646972656	160.0
84.02651977539062	148.0
84.70841217041016	140.0
87.50261688232422	176.0
88.24703979492188	144.0
88.81259155273438	212.0
89.51924133300781	188.0
92.60736083984375	240.0
93.30392456054688	172.0
95.60572814941406	176.0
96.43264770507812	208.0
98.93080139160156	140.0
99.59310150146484	148.0
99.80374908447266	180.0
101.95668029785156	168.0
102.05115509033203	140.0
104.40084838867188	208.0
106.76288604736328	148.0
108.73587036132812	172.0
109.74685668945312	140.0
111.36660766601562	180.0
112.77459716796875	144.0
113.86307525634766	144.0
114.65875244140625	156.0
115.03841400146484	152.0
115.16653442382812	180.0
115.73966217041016	192.0
116.04605865478516	160.0
116.22408294677734	168.0
116.43445587158203	148.0
116.47311401367188	184.0
117.05378723144531	144.0
117.2605972290039	152.0
117.3396224975586	212.0
118.0420913696289	176.0
119.11273193359375	144.0
122.40869903564453	152.0
123.03266143798828	180.0
123.09669494628906	160.0
123.70691680908203	144.0
125.59568786621094	172.0
127.37520599365234	140.0
129.27809143066406	152.0
130.1519012451172	176.0
130.63034057617188	148.0
130.67584228515625	156.0
131.27490234375	148.0
131.95762634277344	156.0
133.2456512451172	152.0
134.2261505126953	172.0
134.6438446044922	188.0
135.65960693359375	208.0
135.95416259765625	156.0
136.05459594726562	164.0
136.15846252441406	208.0
136.69081115722656	160.0
137.05563354492188	124.0
137.7235870361328	196.0
138.51419067382812	200.0
139.03717041015625	156.0
139.14266967773438	228.0
139.2895050048828	220.0
139.46685791015625	156.0
140.0304412841797	116.0
140.76882934570312	176.0
143.058349609375	248.0
143.1862335205078	304.0
143.9374237060547	188.0
145.2705078125	216.0
145.74107360839844	192.0
145.84921264648438	140.0
146.03781127929688	128.0
146.0752410888672	152.0
146.3351593017578	188.0
148.238525390625	152.0
148.70899963378906	236.0
149.0540008544922	300.0
149.5840301513672	156.0
150.04444885253906	168.0
150.7933349609375	172.0
152.13369750976562	156.0
152.99903869628906	172.0
154.00758361816406	220.0
154.043701171875	316.0
154.63064575195312	144.0
155.05780029296875	304.0
155.3566436767578	148.0
156.02220153808594	148.0
156.12911987304688	140.0
157.07638549804688	744.0
157.21029663085938	208.0
158.06491088867188	160.0
158.43295288085938	172.0
158.74375915527344	148.0
160.02774047851562	160.0
160.2796173095703	244.0
161.13746643066406	188.0
162.0395050048828	328.0
162.2282257080078	228.0
162.24850463867188	200.0
162.974365234375	140.0
163.0251922607422	140.0
163.07052612304688	308.0
164.94178771972656	156.0
165.30496215820312	180.0
165.3919677734375	184.0
166.05813598632812	264.0
166.35064697265625	180.0
166.55093383789062	172.0
166.85931396484375	148.0
167.14222717285156	168.0
167.74746704101562	160.0
168.0672607421875	172.0
168.65606689453125	188.0
169.0456085205078	160.0
169.07504272460938	168.0
169.69154357910156	144.0
170.16893005371094	148.0
170.42449951171875	160.0
170.94871520996094	152.0
171.0725860595703	284.0
171.29237365722656	144.0
171.67811584472656	180.0
171.87115478515625	160.0
172.1959991455078	196.0
172.38816833496094	168.0
173.04330444335938	276.0
173.09707641601562	168.0
174.18284606933594	176.0
175.0662078857422	344.0
175.29493713378906	148.0
176.0634002685547	208.0
176.087158203125	160.0
177.02598571777344	144.0
177.44198608398438	148.0
177.95138549804688	140.0
178.0417938232422	176.0
178.07949829101562	356.0
179.06564331054688	148.0
179.62530517578125	140.0
180.06593322753906	184.0
182.04393005371094	124.0
182.06381225585938	296.0
182.47470092773438	196.0
183.0455780029297	260.0
183.07827758789062	356.0
183.4237823486328	152.0
184.34262084960938	140.0
184.55616760253906	172.0
184.8455810546875	176.0
185.07032775878906	148.0
186.0648956298828	144.0
186.5352325439453	188.0
187.365234375	172.0
189.0421905517578	116.0
190.0457000732422	320.0
190.1006622314453	120.0
190.4234161376953	164.0
190.88511657714844	144.0
191.31707763671875	160.0
192.05194091796875	204.0
192.09417724609375	312.0
192.25697326660156	160.0
192.7512664794922	152.0
193.18533325195312	144.0
195.05433654785156	156.0
195.81671142578125	204.0
196.3406524658203	164.0
196.4159698486328	148.0
197.03289794921875	152.0
197.0524444580078	144.0
197.38226318359375	156.0
197.8131103515625	152.0
198.64256286621094	316.0
199.0775909423828	200.0
199.42877197265625	220.0
200.02891540527344	292.0
200.0653076171875	340.0
200.11517333984375	144.0
201.04200744628906	168.0
202.04603576660156	376.0
202.07958984375	380.0
202.794189453125	228.0
202.9831085205078	208.0
203.0493621826172	576.0
203.0907745361328	116.0
203.1334228515625	164.0
203.34622192382812	148.0
203.476806640625	148.0
204.05345153808594	140.0
204.4845733642578	112.0
204.54852294921875	176.0
205.3292236328125	204.0
206.04251098632812	248.0
206.07164001464844	172.0
206.54022216796875	140.0
207.06973266601562	304.0
208.17958068847656	144.0
208.89236450195312	148.0
209.349609375	152.0
209.90902709960938	184.0
210.06887817382812	148.0
210.1368865966797	164.0
210.22511291503906	160.0
210.2465362548828	184.0
210.59877014160156	172.0
210.65122985839844	124.0
210.8645782470703	152.0
210.8876953125	164.0
211.0424346923828	120.0
211.06895446777344	284.0
211.45457458496094	148.0
212.6283416748047	152.0
213.0348358154297	144.0
213.36032104492188	236.0
214.05226135253906	196.0
214.1721954345703	168.0
214.38487243652344	284.0
214.48687744140625	180.0
215.06149291992188	172.0
215.08192443847656	200.0
215.2016143798828	144.0
215.31842041015625	156.0
215.75086975097656	184.0
216.07020568847656	144.0
216.1808319091797	176.0
216.91595458984375	172.0
217.05760192871094	296.0
217.3236083984375	188.0
218.03717041015625	152.0
218.15768432617188	140.0
218.7783966064453	148.0
219.1376953125	148.0
219.68014526367188	160.0
219.80995178222656	144.0
220.03814697265625	440.0
220.29415893554688	216.0
220.57191467285156	160.0
221.04046630859375	244.0
223.0485076904297	292.0
223.68356323242188	152.0
224.1422119140625	192.0
224.46414184570312	192.0
224.64010620117188	152.0
225.90370178222656	156.0
225.9752197265625	220.0
227.04098510742188	940.0
227.33285522460938	148.0
228.0490264892578	340.0
228.1077423095703	200.0
228.93212890625	156.0
229.0608673095703	556.0
230.04063415527344	188.0
230.07009887695312	416.0
230.24697875976562	184.0
231.03851318359375	212.0
231.08255004882812	436.0
231.23255920410156	180.0
231.99282836914062	152.0
232.03688049316406	156.0
232.095458984375	160.0
232.6602325439453	172.0
232.72096252441406	180.0
232.85153198242188	188.0
233.00949096679688	196.0
233.07650756835938	140.0
234.15626525878906	140.0
234.537109375	176.0
235.04840087890625	312.0
235.15321350097656	168.0
235.8007049560547	208.0
237.65335083007812	168.0
238.0677490234375	140.0
238.78379821777344	156.0
238.82070922851562	144.0
239.04551696777344	160.0
239.07298278808594	308.0
239.17147827148438	180.0
239.2515106201172	144.0
239.72274780273438	168.0
240.0587615966797	144.0
240.5709228515625	144.0
240.99095153808594	152.0
241.0558319091797	148.0
242.56430053710938	160.0
242.88661193847656	176.0
243.06568908691406	184.0
243.40382385253906	152.0
243.58706665039062	148.0
243.73619079589844	232.0
244.0128173828125	176.0
244.07188415527344	364.0
245.0548095703125	492.0
245.1638946533203	164.0
245.3515167236328	160.0
246.0408172607422	160.0
246.09703063964844	172.0
247.04774475097656	2000.0
247.84561157226562	144.0
247.9176788330078	160.0
248.03375244140625	1340.0
248.0790252685547	292.0
248.5009002685547	148.0
249.0323028564453	116.0
249.0590057373047	292.0
250.01231384277344	208.0
250.7933807373047	140.0
250.96360778808594	152.0
251.19972229003906	132.0
251.87249755859375	232.0
252.05624389648438	496.0
252.29592895507812	148.0
252.3813018798828	144.0
252.71023559570312	148.0
252.82415771484375	144.0
253.06472778320312	156.0
253.09005737304688	252.0
253.86956787109375	228.0
254.20899963378906	152.0
254.288330078125	164.0
254.3486328125	140.0
255.03619384765625	500.0
255.17776489257812	172.0
255.26043701171875	168.0
256.0439147949219	100.0
256.07037353515625	160.0
256.24078369140625	140.0
256.473388671875	152.0
256.5212097167969	204.0
256.6582946777344	188.0
256.93896484375	164.0
257.0504150390625	776.0
257.08892822265625	168.0
258.0567932128906	244.0
258.5557861328125	168.0
258.87591552734375	160.0
259.016845703125	144.0
259.0469970703125	96.0
259.2891845703125	236.0
259.5584716796875	156.0
259.6033630371094	148.0
259.9320373535156	112.0
260.0428771972656	168.0
260.1038513183594	180.0
261.0642395019531	288.0
261.1802673339844	220.0
261.41363525390625	164.0
261.5052490234375	200.0
262.0521545410156	160.0
262.2041320800781	140.0
262.4278564453125	120.0
262.76519775390625	232.0
263.07305908203125	760.0
264.00555419921875	188.0
264.0734558105469	172.0
264.1866760253906	260.0
264.5944519042969	220.0
264.6915588378906	168.0
264.9682312011719	200.0
265.0187072753906	140.0
265.0625915527344	272.0
265.2552795410156	156.0
265.2790832519531	100.0
266.06414794921875	164.0
266.09552001953125	144.0
267.0483093261719	152.0
267.356689453125	140.0
267.561767578125	156.0
267.7082824707031	156.0
268.0693664550781	304.0
268.2059631347656	212.0
268.4903869628906	152.0
268.58172607421875	156.0
268.764404296875	168.0
269.3648986816406	180.0
269.4859924316406	140.0
269.55133056640625	140.0
270.0447692871094	264.0
270.94189453125	168.0
271.05694580078125	1308.0
272.0643615722656	636.0
273.0483703613281	548.0
273.4867858886719	144.0
273.7468566894531	176.0
273.9327697753906	156.0
274.0293273925781	104.0
274.05120849609375	396.0
274.1685485839844	144.0
274.7059631347656	176.0
274.86102294921875	212.0
275.0437316894531	15092.0
275.6038513183594	132.0
275.7188415527344	188.0
275.9129943847656	156.0
276.0460205078125	3156.0
276.07086181640625	1204.0
276.74505615234375	172.0
277.0638427734375	1344.0
277.19537353515625	164.0
277.5899963378906	156.0
277.90057373046875	164.0
278.0694885253906	576.0
278.552490234375	224.0
279.0310363769531	292.0
279.0723876953125	320.0
279.6564025878906	140.0
280.0303955078125	148.0
280.1891784667969	144.0
281.07196044921875	152.0
281.4866638183594	180.0
281.7839050292969	140.0
281.8273620605469	192.0
282.0497131347656	212.0
282.0840148925781	424.0
282.3856201171875	144.0
283.082275390625	516.0
283.8021240234375	140.0
284.064697265625	1288.0
284.1662902832031	124.0
284.4529724121094	172.0
285.0622253417969	192.0
285.4205322265625	180.0
286.0760803222656	236.0
287.0862731933594	784.0
288.0697937011719	340.0
288.58660888671875	144.0
288.6474914550781	152.0
289.0594482421875	272.0
289.4900817871094	224.0
289.7000732421875	156.0
290.06414794921875	432.0
290.7715148925781	156.0
291.068115234375	476.0
291.2298889160156	160.0
291.2978210449219	204.0
291.8131408691406	100.0
291.8838195800781	112.0
292.0696105957031	2064.0
292.5798645019531	156.0
293.0554504394531	1648.0
293.1914367675781	160.0
293.4123229980469	148.0
293.740478515625	200.0
294.0815124511719	1116.0
294.5440673828125	256.0
295.0700378417969	492.0
295.7806091308594	176.0
295.9269714355469	136.0
296.06390380859375	452.0
296.1007995605469	1044.0
296.32293701171875	184.0
297.0819091796875	1392.0
297.3379211425781	148.0
298.0623474121094	160.0
298.0845642089844	352.0
299.08819580078125	164.0
299.59698486328125	196.0
299.750732421875	148.0
299.9726257324219	152.0
300.06854248046875	124.0
301.05816650390625	392.0
301.92340087890625	144.0
302.0554504394531	828.0
302.24237060546875	172.0
302.3939208984375	172.0
302.97216796875	172.0
303.06591796875	528.0
303.346435546875	192.0
303.50244140625	168.0
303.9394836425781	192.0
304.07073974609375	13696.0
304.91876220703125	180.0
304.9570007324219	152.0
305.0732727050781	1952.0
305.1595764160156	144.0
305.33453369140625	136.0
306.04583740234375	140.0
306.0804748535156	416.0
306.8410949707031	132.0
307.0655822753906	676.0
307.18798828125	176.0
307.5169372558594	188.0
307.7857360839844	196.0
308.0647888183594	304.0
308.34466552734375	140.0
309.06671142578125	124.0
310.08642578125	144.0
311.0743408203125	196.0
311.1039123535156	212.0
311.1434020996094	144.0
311.48052978515625	140.0
312.08148193359375	168.0
312.447265625	168.0
312.7840576171875	152.0
313.08935546875	1272.0
313.3978576660156	152.0
314.092041015625	2572.0
314.4905090332031	128.0
315.0743103027344	980.0
315.681640625	176.0
316.0070495605469	172.0
316.0697021484375	6184.0
316.2547607421875	192.0
317.08538818359375	1824.0
317.13671875	168.0
317.40838623046875	152.0
317.6330261230469	148.0
317.9879150390625	148.0
318.0482177734375	1336.0
318.0857238769531	612.0
318.9540100097656	180.0
319.0491027832031	416.0
319.0926513671875	168.0
319.6368408203125	152.0
320.0683898925781	236.0
320.3188781738281	168.0
320.5643615722656	112.0
320.99041748046875	176.0
321.015380859375	176.0
321.0433349609375	176.0
322.081787109375	160.0
322.1146545410156	140.0
322.178955078125	164.0
322.39691162109375	164.0
323.0803527832031	140.0
323.40545654296875	144.0
323.69903564453125	332.0
324.0943603515625	12604.0
324.2507019042969	200.0
324.5675354003906	104.0
325.0037536621094	152.0
325.0575866699219	168.0
325.09649658203125	2368.0
325.1421813964844	160.0
325.2047424316406	288.0
326.0945129394531	244.0
327.0735778808594	484.0
327.6283264160156	168.0
327.7544250488281	144.0
327.97064208984375	160.0
328.0030822753906	192.0
328.065673828125	356.0
328.49127197265625	116.0
328.58367919921875	240.0
328.63555908203125	116.0
328.7027587890625	140.0
329.0748596191406	644.0
329.1668701171875	148.0
329.2839660644531	144.0
329.4031677246094	184.0
329.4609680175781	164.0
329.61993408203125	152.0
330.047119140625	1580.0
330.0877685546875	312.0
331.0514221191406	212.0
331.1164855957031	360.0
331.65020751953125	240.0
332.0634765625	324.0
332.1007080078125	376.0
332.3392028808594	144.0
333.09674072265625	4336.0
334.0992431640625	488.0
334.4870300292969	168.0
335.0529479980469	208.0
335.21905517578125	164.0
335.52691650390625	152.0
335.8912658691406	148.0
336.0572814941406	820.0
336.2049865722656	152.0
336.6307678222656	148.0
337.06719970703125	172.0
338.0636901855469	128.0
338.993896484375	152.0
339.0697326660156	1008.0
339.34942626953125	172.0
340.0723876953125	200.0
340.16387939453125	172.0
340.6559143066406	140.0
340.9054260253906	108.0
341.0527648925781	212.0
341.0766296386719	164.0
341.11676025390625	180.0
342.0858154296875	4588.0
342.3310241699219	136.0
342.38720703125	112.0
342.4385986328125	148.0
342.5393371582031	140.0
342.5835266113281	140.0
342.6224365234375	136.0
342.9299011230469	192.0
343.01025390625	148.0
343.08807373046875	1164.0
343.2586975097656	104.0
343.44976806640625	144.0
343.6300354003906	116.0
343.8873596191406	168.0
343.9526672363281	136.0
344.101806640625	106716.0
344.25823974609375	104.0
344.31549072265625	120.0
344.37371826171875	216.0
344.41009521484375	112.0
344.6749572753906	144.0
344.7077331542969	140.0
344.85894775390625	196.0
345.0505065917969	100.0
345.10430908203125	18092.0
345.1942443847656	136.0
345.2270202636719	144.0
345.2635192871094	96.0
345.33258056640625	100.0
345.3838195800781	104.0
345.5027160644531	132.0
345.5316467285156	168.0
346.1062927246094	1752.0
346.37066650390625	128.0
346.5439758300781	140.0
346.9817810058594	116.0
347.1040344238281	240.0
347.2882080078125	168.0
347.31695556640625	264.0
347.3576354980469	124.0
347.39990234375	96.0
347.4522399902344	112.0
347.5925598144531	164.0
347.83697509765625	176.0
347.99920654296875	192.0
348.0596008300781	3560.0
348.22283935546875	136.0
348.2832336425781	152.0
348.32427978515625	100.0
348.6070251464844	144.0
349.0627136230469	688.0
349.5577697753906	136.0
349.7674255371094	152.0
349.83404541015625	120.0
350.0627136230469	276.0
350.7644348144531	140.0
351.06396484375	216.0
351.15252685546875	112.0
351.6608581542969	168.0
352.1275634765625	172.0
352.1649169921875	172.0
352.4824523925781	160.0
353.0506591796875	212.0
353.0843200683594	140.0
353.5103759765625	188.0
354.04986572265625	172.0
355.5849304199219	104.0
355.6545104980469	152.0
355.71832275390625	232.0
356.3642578125	144.0
356.6072998046875	124.0
357.07501220703125	364.0
357.1349182128906	180.0
357.3493347167969	164.0
358.07806396484375	196.0
358.480224609375	128.0
358.7300109863281	172.0
358.98406982421875	156.0
359.0760498046875	1232.0
359.1116027832031	2600.0
359.4310607910156	96.0
359.6556091308594	168.0
359.87457275390625	184.0
360.0323791503906	184.0
360.0754699707031	448.0
360.109619140625	368.0
360.22576904296875	160.0
360.4228820800781	136.0
360.9898986816406	228.0
361.05352783203125	164.0
361.1280212402344	37020.0
361.3837585449219	132.0
362.0773010253906	152.0
362.1312561035156	5692.0
362.1799011230469	176.0
363.07965087890625	224.0
363.1329040527344	668.0
363.22894287109375	164.0
363.8249816894531	148.0
364.2144470214844	140.0
364.438232421875	124.0
364.64276123046875	308.0
365.0733947753906	144.0
366.0209045410156	140.0
366.2684326171875	172.0
366.55584716796875	112.0
366.7027893066406	144.0
366.7333068847656	164.0
367.1004638671875	740.0
367.35101318359375	180.0
368.1028137207031	208.0
368.3014831542969	156.0
368.3625793457031	176.0
368.6797180175781	156.0
369.10601806640625	180.0
370.07867431640625	1032.0
370.8114013671875	172.0
370.8612060546875	200.0
371.0830383300781	472.0
371.5410461425781	140.0
373.8992004394531	192.0
374.064697265625	212.0
374.7887268066406	164.0
376.04974365234375	156.0
376.9947204589844	200.0
377.08599853515625	4540.0
377.4095153808594	152.0
378.0013427734375	168.0
378.0882568359375	980.0
379.08465576171875	268.0
379.5158386230469	140.0
380.1325988769531	144.0
381.06390380859375	136.0
381.8752136230469	144.0
382.3788146972656	360.0
382.7586669921875	128.0
382.9584655761719	100.0
384.7262268066406	148.0
385.1056213378906	424.0
385.8370056152344	136.0
386.0802917480469	352.0
386.1460266113281	136.0
386.2538757324219	280.0
386.4596252441406	148.0
386.50927734375	160.0
386.8070068359375	176.0
386.9300842285156	216.0
387.0249328613281	308.0
387.1073303222656	68704.0
387.4107971191406	124.0
387.448486328125	124.0
387.5001525878906	116.0
387.55096435546875	276.0
387.60662841796875	116.0
387.7430114746094	148.0
387.778076171875	124.0
387.8565673828125	152.0
387.8867492675781	260.0
387.9443054199219	216.0
387.9800109863281	164.0
388.097900390625	24344.0
388.264892578125	196.0
388.54815673828125	148.0
388.8772888183594	124.0
388.9043884277344	172.0
389.0980529785156	4348.0
389.2066650390625	104.0
389.6003112792969	172.0
389.8167419433594	108.0
389.87548828125	192.0
389.9687805175781	128.0
390.0967102050781	636.0
390.1697082519531	100.0
390.29217529296875	100.0
390.60626220703125	108.0
390.692138671875	124.0
390.76629638671875	120.0
390.8121032714844	120.0
391.4888916015625	152.0
391.94976806640625	180.0
393.8434143066406	152.0
394.10809326171875	160.0
395.00946044921875	140.0
395.4997253417969	168.0
395.7613830566406	196.0
396.8343200683594	140.0
397.6959533691406	160.0
398.5020751953125	144.0
398.625244140625	200.0
398.9631042480469	156.0
399.23345947265625	160.0
399.28515625	156.0
399.34405517578125	156.0
400.2879943847656	168.0
400.4405822753906	168.0
400.5087585449219	172.0
400.81988525390625	168.0
401.431640625	112.0
401.47247314453125	120.0
401.5732421875	176.0
401.6669616699219	144.0
401.70855712890625	244.0
401.886474609375	148.0
402.21051025390625	196.0
402.3327331542969	100.0
402.5502624511719	188.0
402.75048828125	124.0
402.9014892578125	200.0
402.94964599609375	236.0
403.0585021972656	212.0
403.0909729003906	176.0
403.1316833496094	272.0
403.2509765625	124.0
403.32415771484375	140.0
403.3625793457031	120.0
403.39208984375	148.0
403.4928894042969	136.0
403.5295104980469	120.0
403.6027526855469	248.0
403.7089538574219	176.0
403.8946533203125	180.0
403.9588623046875	116.0
404.00811767578125	204.0
404.08721923828125	1608.0
404.1773376464844	164.0
404.2159729003906	196.0
404.2795104980469	268.0
404.3087463378906	132.0
404.3624267578125	104.0
404.4336853027344	132.0
404.5131530761719	188.0
404.5491943359375	164.0
404.59600830078125	144.0
404.6623840332031	196.0
404.6704406738281	216.0
404.7554016113281	120.0
404.7878723144531	384.0
404.8552551269531	152.0
404.9229736328125	340.0
404.97015380859375	568.0
405.0196228027344	584.0
405.1196594238281	221300.0
405.2443542480469	420.0
405.3045349121094	136.0
405.3450012207031	148.0
405.3699035644531	344.0
405.4036560058594	132.0
405.4360656738281	352.0
405.4888610839844	448.0
405.545166015625	364.0
405.5910949707031	164.0
405.65496826171875	120.0
405.7310485839844	264.0
405.7813720703125	6096.0
405.8278503417969	400.0
405.87420654296875	152.0
405.93646240234375	172.0
405.9778747558594	320.0
406.034423828125	184.0
406.0738220214844	532.0
406.1218566894531	84568.0
406.2190246582031	236.0
406.3135986328125	168.0
406.37091064453125	244.0
406.4209899902344	116.0
406.46832275390625	156.0
406.5164489746094	228.0
406.6932067871094	116.0
406.72613525390625	168.0
406.78070068359375	464.0
406.8410949707031	168.0
406.9033203125	136.0
407.0341491699219	96.0
407.1240539550781	9620.0
407.2313232421875	272.0
407.5474548339844	128.0
407.6562805175781	112.0
407.82708740234375	300.0
407.9372863769531	144.0
408.0050964355469	120.0
408.12432861328125	1152.0
408.2334899902344	176.0
408.32476806640625	100.0
408.36590576171875	136.0
408.3983154296875	216.0
408.5111389160156	172.0
408.5784606933594	176.0
408.6295166015625	148.0
408.6858825683594	312.0
408.7606201171875	240.0
408.7727966308594	232.0
408.8331604003906	124.0
408.8785400390625	352.0
408.94842529296875	120.0
409.067626953125	176.0
409.1690979003906	184.0
409.2401428222656	216.0
409.2934265136719	168.0
409.3437805175781	96.0
409.64532470703125	200.0
409.6874694824219	152.0
409.7574157714844	120.0
409.8924865722656	112.0
410.1722717285156	116.0
410.5569152832031	96.0
410.60919189453125	212.0
410.679931640625	140.0
410.7679443359375	156.0
410.8031311035156	112.0
410.91790771484375	196.0
410.97021484375	96.0
412.4372863769531	152.0
413.0324401855469	120.0
418.3126220703125	112.0
419.5172424316406	116.0
419.69500732421875	152.0
420.261962890625	152.0
421.675537109375	148.0
422.5499572753906	144.0
425.3907165527344	144.0
446.16650390625	164.0
488.3077392578125	108.0
577.142578125	164.0
586.4606323242188	140.0
627.8338623046875	96.0
641.9273071289062	148.0
700.67626953125	108.0
827.33642578125	148.0
1005.6171875	180.0
1232.1239013671875	144.0
1270.571044921875	152.0
1487.4144287109375	144.0
1646.1055908203125	264.0
1848.356689453125	148.0
1931.431640625	216.0
1939.399169921875	156.0
1961.3033447265625	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078982
PEPMASS=203.064575
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=tosufloxacin tosilate [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=NC1CCN(C1)c2nc3n(cc(C(=O)O)c(=O)c3cc2F)c4ccc(F)cc4F
INCHI=InChI=1S/C19H15F3N4O3/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29)
INCHIAUX=WUWFMDMBOJLQIV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078982
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078982
SCANS=1070
52.17556381225586	228.0
67.140625	192.0
70.49705505371094	144.0
73.64640808105469	144.0
74.06204223632812	180.0
78.63178253173828	144.0
87.6311264038086	172.0
92.40253448486328	160.0
97.38682556152344	184.0
99.51168060302734	192.0
105.53255462646484	264.0
111.00773620605469	208.0
114.0181655883789	192.0
115.98175048828125	140.0
118.03128051757812	204.0
123.01941680908203	232.0
125.54439544677734	176.0
127.52729797363281	284.0
130.52345275878906	168.0
131.00595092773438	204.0
133.03207397460938	172.0
133.52609252929688	196.0
134.03253173828125	192.0
137.5204620361328	164.0
137.53680419921875	200.0
138.0260467529297	232.0
138.96665954589844	188.0
143.00820922851562	196.0
143.52578735351562	100.0
145.01634216308594	152.0
145.93214416503906	128.0
148.9420928955078	172.0
149.59133911132812	168.0
150.51779174804688	152.0
150.53976440429688	184.0
151.01324462890625	780.0
151.5303955078125	352.0
152.5367889404297	172.0
152.7923126220703	156.0
153.18865966796875	184.0
155.06158447265625	168.0
158.5359344482422	200.0
159.14271545410156	184.0
159.96026611328125	160.0
160.02137756347656	504.0
160.9480438232422	144.0
162.02294921875	152.0
162.13442993164062	160.0
162.55032348632812	148.0
164.03306579589844	160.0
164.51898193359375	748.0
164.54986572265625	336.0
165.02374267578125	136.0
165.5277862548828	1140.0
166.02735900878906	592.0
168.02597045898438	160.0
169.02090454101562	204.0
171.5269012451172	200.0
173.52392578125	524.0
174.02493286132812	396.0
174.0563201904297	156.0
174.5330810546875	2256.0
175.03509521484375	368.0
176.0634002685547	160.0
178.03103637695312	140.0
178.98301696777344	140.0
179.98025512695312	156.0
180.04583740234375	236.0
180.53726196289062	160.0
181.0311279296875	244.0
182.52578735351562	180.0
183.53981018066406	356.0
184.04278564453125	336.0
185.5440216064453	5264.0
186.0437469482422	716.0
186.23318481445312	96.0
186.26893615722656	192.0
186.5462646484375	192.0
189.04945373535156	276.0
189.53733825683594	228.0
193.58665466308594	176.0
193.88031005859375	176.0
194.01736450195312	160.0
194.05685424804688	4660.0
194.1686248779297	156.0
194.3378448486328	144.0
194.42941284179688	236.0
194.54957580566406	24276.0
194.59999084472656	168.0
194.98521423339844	96.0
195.05059814453125	4116.0
195.22003173828125	112.0
195.5566864013672	688.0
195.69140625	156.0
196.6382293701172	104.0
196.99099731445312	124.0
197.0397491455078	96.0
197.53887939453125	164.0
201.03277587890625	184.0
201.0821533203125	108.0
201.2937774658203	160.0
202.2182159423828	144.0
202.41213989257812	128.0
203.01429748535156	212.0
203.06251525878906	15136.0
203.15432739257812	176.0
203.18856811523438	140.0
203.56224060058594	1748.0
203.5932159423828	216.0
203.66421508789062	164.0
204.0676727294922	456.0
204.9329833984375	160.0
205.05636596679688	188.0
206.0399627685547	148.0
206.05996704101562	156.0
212.0660858154297	1168.0
212.56826782226562	708.0
213.04354858398438	164.0
213.0697021484375	184.0
214.03240966796875	140.0
215.06149291992188	204.0
215.5696563720703	212.0
217.54959106445312	156.0
218.0260467529297	296.0
218.54000854492188	220.0
220.0283660888672	160.0
221.031982421875	292.0
222.04067993164062	292.0
223.58065795898438	236.0
225.02462768554688	288.0
227.0451202392578	192.0
232.0292205810547	144.0
234.0496826171875	140.0
235.04733276367188	252.0
238.41795349121094	148.0
242.0517120361328	192.0
245.03184509277344	652.0
246.0299530029297	272.0
249.0287322998047	304.0
252.0620574951172	156.0
252.82415771484375	156.0
253.0246124267578	148.0
254.05801391601562	144.0
256.0286560058594	172.0
259.04248046875	148.0
260.00115966796875	140.0
261.0451965332031	160.0
262.0648498535156	232.0
264.0346374511719	148.0
267.02935791015625	420.0
268.06585693359375	140.0
270.0538330078125	216.0
271.6630859375	176.0
272.04278564453125	568.0
273.0459289550781	172.0
274.03424072265625	100.0
274.07769775390625	140.0
275.04168701171875	212.0
284.0386657714844	120.0
288.025634765625	144.0
290.0494079589844	208.0
293.0702819824219	200.0
294.08612060546875	200.0
298.031494140625	152.0
300.03778076171875	696.0
301.06634521484375	140.0
302.0586242675781	232.0
303.0384826660156	168.0
306.1116638183594	208.0
310.87664794921875	168.0
313.0758056640625	152.0
314.09552001953125	116.0
316.0495300292969	184.0
318.0469665527344	484.0
319.0355224609375	664.0
320.06005859375	160.0
322.0690612792969	152.0
323.0583801269531	188.0
323.0819396972656	188.0
324.0930480957031	168.0
328.0323486328125	784.0
329.0284423828125	176.0
330.05389404296875	328.0
332.2376403808594	140.0
336.0597229003906	420.0
343.0884094238281	140.0
344.1014709472656	148.0
346.04522705078125	1776.0
347.04302978515625	744.0
348.0608215332031	496.0
349.0567321777344	156.0
350.0854187011719	220.0
358.07049560546875	200.0
368.0667724609375	264.0
370.0775451660156	1848.0
371.08587646484375	260.0
372.0752868652344	176.0
373.090087890625	140.0
376.09124755859375	148.0
388.0912780761719	1292.0
389.0955810546875	1036.0
405.11865234375	208.0
1561.4105224609375	196.0
1880.0228271484375	140.0
1933.1815185546875	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078983
PEPMASS=445.162689
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=32.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=HALOMETASONE MONOHYDRATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO)Cl
INCHI=InChI=1S/C22H27ClF2O5/c1-10-4-11-12-5-15(24)13-6-16(27)14(23)7-19(13,2)21(12,25)17(28)8-20(11,3)22(10,30)18(29)9-26/h6-7,10-12,15,17,26,28,30H,4-5,8-9H2,1-3H3/t10-,11+,12+,15+,17+,19+,20+,21+,22+/m1/s1
INCHIAUX=GGXMRPUKBWXVHE-MIHLVHIWSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078983
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078983
SCANS=1378
47.248653411865234	196.0
48.34393310546875	160.0
58.831790924072266	176.0
60.42088317871094	180.0
75.28831481933594	192.0
76.89073181152344	184.0
91.0548324584961	140.0
94.28672790527344	172.0
97.32395935058594	180.0
101.06031036376953	172.0
102.54029083251953	176.0
104.54322052001953	152.0
105.06483459472656	180.0
107.08515167236328	140.0
109.62801361083984	156.0
111.3581771850586	140.0
117.0663833618164	176.0
119.09228515625	164.0
119.72821807861328	176.0
121.06254577636719	184.0
121.10196685791016	208.0
123.06353759765625	168.0
125.06536102294922	200.0
127.85857391357422	172.0
129.06768798828125	140.0
131.09320068359375	184.0
133.0664825439453	276.0
133.10214233398438	276.0
134.0717010498047	160.0
135.0830535888672	148.0
137.03538513183594	188.0
137.0966033935547	300.0
138.10220336914062	164.0
138.19577026367188	252.0
139.02761840820312	172.0
139.05642700195312	144.0
139.0921630859375	200.0
139.9373016357422	200.0
141.06260681152344	172.0
143.05999755859375	156.0
143.0846710205078	176.0
144.0663604736328	160.0
144.08546447753906	148.0
145.10562133789062	312.0
147.0771484375	188.0
148.08827209472656	212.0
149.07772827148438	128.0
151.06275939941406	140.0
151.09169006347656	184.0
153.0907440185547	404.0
155.02499389648438	3344.0
155.12350463867188	208.0
156.0305938720703	132.0
157.0264129638672	472.0
159.0573272705078	160.0
160.0629425048828	164.0
161.09645080566406	140.0
164.09165954589844	164.0
165.04656982421875	168.0
165.069580078125	164.0
165.0899200439453	184.0
167.0859832763672	156.0
168.0181884765625	172.0
169.03976440429688	1020.0
170.04595947265625	144.0
171.03599548339844	188.0
171.0955810546875	176.0
173.09906005859375	196.0
175.0893096923828	200.0
177.0703125	164.0
178.07614135742188	184.0
179.02316284179688	408.0
179.08694458007812	196.0
181.04171752929688	280.0
181.1013946533203	184.0
183.03762817382812	240.0
183.07516479492188	232.0
183.10963439941406	160.0
184.08595275878906	160.0
185.053955078125	184.0
187.068359375	176.0
189.0881805419922	140.0
189.10658264160156	288.0
191.0198211669922	140.0
191.1070098876953	348.0
192.0224151611328	156.0
193.0385284423828	264.0
193.10231018066406	148.0
195.01536560058594	160.0
195.0635986328125	184.0
195.09848022460938	160.0
196.086669921875	188.0
197.09861755371094	132.0
199.09274291992188	272.0
201.09603881835938	172.0
203.09933471679688	200.0
205.0241241455078	164.0
205.1033172607422	132.0
208.05101013183594	204.0
208.12196350097656	128.0
209.05055236816406	152.0
209.0989532470703	328.0
211.09060668945312	212.0
215.08824157714844	152.0
215.11398315429688	188.0
216.0461883544922	184.0
217.04632568359375	140.0
217.12184143066406	152.0
221.0349578857422	188.0
221.09945678710938	316.0
222.09873962402344	100.0
223.0323486328125	312.0
223.1099090576172	204.0
224.11859130859375	296.0
225.0489044189453	184.0
225.09368896484375	148.0
225.12355041503906	140.0
226.05667114257812	160.0
227.1077880859375	408.0
229.0495147705078	204.0
233.1279296875	176.0
235.1134033203125	196.0
236.06948852539062	144.0
236.1197509765625	276.0
239.02984619140625	220.0
239.10874938964844	336.0
241.12376403808594	156.0
242.11849975585938	196.0
243.0565643310547	148.0
243.11892700195312	164.0
244.0562744140625	172.0
245.0491485595703	168.0
245.12474060058594	168.0
246.08689880371094	164.0
247.04962158203125	200.0
247.09068298339844	368.0
247.119140625	320.0
248.11822509765625	156.0
249.07847595214844	176.0
252.10971069335938	156.0
253.0773162841797	260.0
255.05604553222656	104.0
256.0616760253906	292.0
256.1305847167969	156.0
257.0773010253906	268.0
257.8585205078125	176.0
258.1374206542969	168.0
259.0920715332031	220.0
260.104736328125	124.0
261.0768127441406	152.0
261.1278076171875	136.0
262.12994384765625	176.0
264.1151428222656	160.0
264.1510314941406	140.0
265.09967041015625	180.0
266.1181640625	152.0
267.0638122558594	164.0
269.0189208984375	156.0
269.0731201171875	272.0
270.0794982910156	448.0
271.0885314941406	296.0
273.0890808105469	240.0
274.0631103515625	128.0
274.09832763671875	200.0
274.13592529296875	164.0
275.0610656738281	140.0
275.1105651855469	236.0
275.140380859375	268.0
276.0809020996094	184.0
276.1182861328125	196.0
276.14959716796875	264.0
277.08453369140625	164.0
277.1126403808594	148.0
283.0895690917969	316.0
285.0777282714844	176.0
287.0846862792969	1800.0
287.9613952636719	176.0
288.0899658203125	252.0
288.1496887207031	276.0
289.0869445800781	236.0
290.8053894042969	164.0
291.1005554199219	144.0
292.1090393066406	256.0
293.09368896484375	180.0
293.15313720703125	120.0
295.0878601074219	212.0
299.1193542480469	200.0
299.16644287109375	144.0
301.07318115234375	340.0
301.1347351074219	156.0
303.0794982910156	148.0
304.7380065917969	196.0
307.091064453125	1560.0
308.08856201171875	264.0
309.09234619140625	356.0
310.1068420410156	420.0
311.06842041015625	128.0
311.11895751953125	644.0
312.1089782714844	304.0
313.09130859375	148.0
313.1171569824219	372.0
315.0970458984375	184.0
315.1351013183594	168.0
316.1451110839844	96.0
317.0905456542969	152.0
317.1330871582031	216.0
319.1138916015625	172.0
321.0965881347656	172.0
321.157958984375	192.0
323.1208801269531	204.0
323.7017822265625	176.0
324.121826171875	208.0
326.1241149902344	168.0
327.1060791015625	264.0
327.1516418457031	168.0
328.1159973144531	256.0
329.07305908203125	136.0
329.1285095214844	428.0
330.12603759765625	308.0
331.1294250488281	660.0
332.1196594238281	140.0
333.1138916015625	148.0
333.1429138183594	220.0
335.1015319824219	156.0
337.10687255859375	180.0
339.1164245605469	140.0
341.1240539550781	232.0
342.1304931640625	268.0
343.12908935546875	536.0
344.1276550292969	184.0
345.119873046875	136.0
347.1206970214844	276.0
349.1361083984375	492.0
349.8157043457031	148.0
350.131591796875	316.0
351.09368896484375	152.0
351.1301574707031	244.0
353.1054382324219	400.0
359.1199645996094	128.0
361.13311767578125	112.0
363.14495849609375	212.0
365.1027526855469	128.0
365.1273498535156	156.0
366.1426696777344	176.0
367.1325988769531	272.0
368.70635986328125	168.0
369.1275939941406	528.0
370.1268005371094	168.0
370.560302734375	104.0
371.12481689453125	668.0
372.1274719238281	140.0
372.9145202636719	144.0
376.5013427734375	204.0
377.1354064941406	388.0
378.1250915527344	228.0
379.1393737792969	120.0
380.120849609375	172.0
381.1459045410156	164.0
385.1434631347656	332.0
387.1313171386719	532.0
388.1329650878906	248.0
389.133544921875	784.0
390.1326599121094	96.0
391.13092041015625	292.0
395.1420593261719	140.0
397.14215087890625	144.0
398.9232482910156	144.0
399.14166259765625	128.0
400.1803894042969	196.0
401.1443786621094	152.0
405.15093994140625	260.0
407.138671875	316.0
408.1432800292969	144.0
409.1395568847656	356.0
410.151611328125	160.0
411.1336669921875	136.0
415.15283203125	144.0
425.1610412597656	188.0
425.99755859375	212.0
426.1454772949219	116.0
427.14520263671875	828.0
428.15179443359375	280.0
429.14794921875	508.0
430.156982421875	188.0
443.3247985839844	160.0
445.16033935546875	108.0
446.16619873046875	124.0
447.1585388183594	288.0
448.0896911621094	152.0
465.43524169921875	168.0
709.3883666992188	156.0
740.4239501953125	140.0
1944.1087646484375	192.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078984
PEPMASS=826.47937
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=41.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TACROLIMUS [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(\C)/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@@H]([C@H](C[C@H]4C)OC)[C@H](C[C@@H](C)CC(=C[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)C)OC
INCHI=InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19?,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
INCHIAUX=QJJXYPPXXYFBGM-KVDYWLTISA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078984
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078984
SCANS=2903
158.96421813964844	160.0
201.443115234375	152.0
215.60726928710938	172.0
219.08755493164062	140.0
225.153076171875	180.0
226.94700622558594	132.0
251.0893096923828	144.0
257.1331787109375	148.0
262.1134338378906	140.0
263.07647705078125	248.0
287.16107177734375	156.0
300.0823974609375	200.0
319.504638671875	176.0
333.9188232421875	140.0
335.1820373535156	164.0
339.1911926269531	200.0
343.18365478515625	164.0
350.11676025390625	208.0
353.0462951660156	176.0
353.21630859375	152.0
358.2108154296875	180.0
371.2146911621094	224.0
373.21380615234375	192.0
387.2417297363281	264.0
397.19439697265625	220.0
398.835205078125	144.0
399.24359130859375	228.0
403.23870849609375	140.0
405.2546081542969	240.0
409.901123046875	224.0
413.26055908203125	144.0
413.3252868652344	152.0
413.9203186035156	152.0
415.1724853515625	160.0
415.2447814941406	2060.0
416.2460021972656	688.0
417.2479248046875	344.0
429.221923828125	164.0
431.24285888671875	556.0
433.2577819824219	396.0
434.9078674316406	148.0
443.2401428222656	1256.0
444.2397766113281	672.0
445.2640686035156	144.0
450.2191162109375	260.0
459.23565673828125	368.0
460.2384948730469	332.0
461.2515869140625	500.0
462.2525329589844	264.0
463.2558288574219	148.0
477.2449951171875	604.0
478.2377624511719	420.0
479.3128662109375	160.0
483.3200988769531	128.0
487.2344665527344	1612.0
488.2287902832031	484.0
489.33251953125	144.0
499.2708740234375	152.0
505.24017333984375	3716.0
505.4581298828125	180.0
506.2436828613281	988.0
506.3803405761719	176.0
507.2542419433594	212.0
507.6831359863281	200.0
512.3455200195312	104.0
533.0115966796875	160.0
544.3207397460938	324.0
545.339599609375	120.0
558.3812866210938	172.0
570.297607421875	120.0
570.354736328125	104.0
571.3562622070312	168.0
572.3126831054688	372.0
575.2744750976562	120.0
576.3098754882812	152.0
576.3643798828125	220.0
585.3467407226562	148.0
588.3106689453125	880.0
588.5677490234375	160.0
589.3151245117188	452.0
590.326171875	124.0
590.3710327148438	172.0
591.4156494140625	300.0
598.2879028320312	324.0
598.3300170898438	156.0
599.311767578125	200.0
601.5451049804688	148.0
603.3848266601562	268.0
606.8090209960938	252.0
607.3905639648438	1168.0
608.392822265625	372.0
616.3081665039062	6580.0
616.525634765625	176.0
617.3125610351562	2272.0
618.3119506835938	740.0
619.304443359375	96.0
623.38671875	320.0
624.396240234375	172.0
625.4087524414062	1708.0
626.4074096679688	680.0
627.42529296875	148.0
635.3919677734375	732.0
636.3970336914062	364.0
636.4580078125	208.0
637.044189453125	156.0
637.3955688476562	192.0
641.42431640625	124.0
642.406494140625	116.0
643.4070434570312	128.0
644.4303588867188	96.0
645.7491455078125	144.0
651.4058227539062	252.0
653.4027099609375	1332.0
654.4002075195312	536.0
654.4617919921875	160.0
655.4075317382812	200.0
657.3558349609375	144.0
665.3667602539062	136.0
670.3878784179688	140.0
671.4122314453125	468.0
672.4117431640625	224.0
673.4173583984375	172.0
679.377197265625	712.0
680.3733520507812	604.0
681.3778686523438	188.0
690.0503540039062	244.0
697.273681640625	184.0
697.3920288085938	844.0
698.3883666992188	264.0
699.4102783203125	148.0
704.8523559570312	116.0
712.8477172851562	156.0
715.3995971679688	932.0
716.3850708007812	508.0
716.4181518554688	704.0
717.4070434570312	320.0
717.4623413085938	200.0
718.4144287109375	108.0
722.8032836914062	148.0
745.4190673828125	180.0
746.963134765625	168.0
750.23583984375	144.0
750.6884155273438	192.0
753.259033203125	140.0
758.040771484375	156.0
764.4537353515625	132.0
765.4795532226562	168.0
770.7684326171875	180.0
782.4686279296875	196.0
782.5438232421875	280.0
783.451171875	96.0
783.4959106445312	112.0
787.3887939453125	148.0
788.3504638671875	156.0
790.4530029296875	112.0
791.4471435546875	156.0
805.9047241210938	152.0
808.012451171875	152.0
808.4669189453125	1492.0
808.6837768554688	148.0
809.4605102539062	1052.0
810.4674072265625	204.0
811.472900390625	100.0
811.7201538085938	108.0
813.4312133789062	160.0
825.263916015625	164.0
825.4002075195312	124.0
825.7621459960938	120.0
825.8853759765625	172.0
825.9684448242188	228.0
826.0941772460938	168.0
826.345947265625	300.0
826.4716796875	26584.0
826.6323852539062	320.0
826.7321166992188	160.0
826.82421875	136.0
826.9007568359375	132.0
827.0216064453125	160.0
827.0929565429688	96.0
827.2317504882812	100.0
827.302490234375	208.0
827.47412109375	15312.0
827.594482421875	440.0
827.6920776367188	280.0
828.3571166992188	120.0
828.4782104492188	4556.0
828.8482666015625	164.0
829.1087646484375	168.0
829.2216796875	104.0
829.2745361328125	132.0
829.4749755859375	1232.0
829.5750732421875	104.0
830.456298828125	176.0
830.5292358398438	196.0
831.2385864257812	136.0
831.3567504882812	112.0
831.7766723632812	140.0
832.4354858398438	108.0
832.5159912109375	104.0
832.7608642578125	128.0
833.1006469726562	100.0
835.2100219726562	120.0
851.172119140625	112.0
942.2747802734375	160.0
969.6828002929688	160.0
999.3704223632812	148.0
1131.289794921875	156.0
1338.5096435546875	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078985
PEPMASS=186.089767
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_A2_B11_BC4_01_15718.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(O)Cn1c(C)ncc1[N+](=O)[O-]
INCHI=InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3
INCHIAUX=KPQZUUQMTUIKBP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078985
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078985
SCANS=1003
46.04697799682617	184.0
47.717681884765625	180.0
48.0385627746582	168.0
48.81278991699219	160.0
50.6669921875	180.0
51.26518630981445	160.0
51.436336517333984	140.0
52.15971755981445	176.0
55.39666748046875	220.0
57.8769645690918	156.0
57.98149108886719	140.0
58.52379608154297	148.0
60.027000427246094	148.0
60.86103057861328	184.0
65.88585662841797	236.0
68.0323257446289	144.0
70.80650329589844	164.0
71.73062133789062	164.0
72.79652404785156	172.0
78.861328125	140.0
79.1691665649414	144.0
84.03741455078125	156.0
84.11041259765625	152.0
85.13203430175781	244.0
86.86884307861328	220.0
88.06011199951172	180.0
88.95138549804688	196.0
90.59766387939453	172.0
92.30683898925781	248.0
92.53836059570312	176.0
93.73307800292969	148.0
93.83505249023438	176.0
95.22461700439453	176.0
95.61539459228516	156.0
96.04988861083984	200.0
97.0354995727539	164.0
97.85478210449219	144.0
98.05038452148438	372.0
99.3330078125	220.0
99.66852569580078	204.0
99.7718734741211	168.0
100.49882507324219	144.0
100.94721984863281	200.0
107.52920532226562	160.0
107.7294921875	148.0
108.6258316040039	144.0
110.62215423583984	152.0
110.68286895751953	180.0
110.94266510009766	164.0
111.04244232177734	1060.0
111.47578430175781	140.0
112.04717254638672	164.0
114.72261810302734	140.0
114.95587921142578	252.0
115.95381164550781	168.0
115.96881103515625	176.0
116.9697494506836	240.0
118.57672882080078	200.0
118.94328308105469	184.0
120.94682312011719	168.0
121.41532135009766	144.0
123.77767944335938	200.0
124.1300048828125	188.0
125.04972839355469	148.0
125.38380432128906	172.0
125.93041229248047	224.0
127.58635711669922	188.0
127.66730499267578	200.0
127.81351470947266	148.0
127.91162872314453	212.0
127.97767639160156	160.0
128.04617309570312	50012.0
129.04928588867188	2536.0
130.00999450683594	164.0
130.04629516601562	320.0
130.1175079345703	140.0
130.18312072753906	120.0
133.77220153808594	148.0
134.9765167236328	144.0
136.00514221191406	184.0
136.33261108398438	180.0
139.84544372558594	176.0
140.0906219482422	156.0
140.50523376464844	200.0
141.0980224609375	152.0
142.9575958251953	160.0
143.95977783203125	160.0
145.9290313720703	356.0
157.31752014160156	148.0
162.1672821044922	156.0
164.98513793945312	164.0
166.25814819335938	140.0
168.0763397216797	144.0
177.35704040527344	200.0
185.1134490966797	144.0
185.28408813476562	196.0
186.08799743652344	28308.0
186.29156494140625	100.0
186.35682678222656	112.0
186.96397399902344	160.0
187.09031677246094	2252.0
188.0876922607422	152.0
196.35447692871094	164.0
266.53704833984375	148.0
1062.30712890625	176.0
1217.4400634765625	148.0
1383.9710693359375	228.0
1421.23974609375	164.0
1526.3983154296875	184.0
1528.3974609375	140.0
1558.878173828125	180.0
1590.65185546875	196.0
1594.8775634765625	168.0
1633.3868408203125	192.0
1651.8994140625	200.0
1666.8984375	168.0
1695.058837890625	200.0
1740.4764404296875	144.0
1757.6400146484375	176.0
1790.063232421875	172.0
1807.8411865234375	188.0
1844.6693115234375	160.0
1881.5838623046875	300.0
1882.188232421875	148.0
1884.5894775390625	208.0
1891.7935791015625	248.0
1898.2744140625	196.0
1899.384521484375	140.0
1901.180419921875	216.0
1913.4276123046875	180.0
1921.9080810546875	144.0
1930.8619384765625	188.0
1949.8514404296875	168.0
1953.808349609375	164.0
1966.9649658203125	224.0
1968.404052734375	168.0
1991.5628662109375	144.0
1992.58447265625	156.0
1993.8284912109375	176.0
1997.2247314453125	212.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078986
PEPMASS=417.242767
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=RAMIPRIL [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H](C[C@@H]3CCC[C@@H]32)C(=O)O
INCHI=InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1
INCHIAUX=HDACQVRGBOVJII-JBDAPHQKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078986
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078986
SCANS=1134
45.82167053222656	152.0
47.72039794921875	176.0
47.750648498535156	228.0
47.882774353027344	168.0
48.4407958984375	180.0
48.83500671386719	196.0
49.56373977661133	176.0
50.49850845336914	140.0
51.16402053833008	160.0
51.87115478515625	168.0
52.46485900878906	156.0
53.54146194458008	144.0
53.68719482421875	160.0
53.7615966796875	200.0
54.787986755371094	156.0
55.14212417602539	140.0
57.217124938964844	152.0
57.84210205078125	204.0
58.624290466308594	212.0
59.77740478515625	204.0
60.35276412963867	192.0
60.70116424560547	144.0
62.31828308105469	180.0
62.56186294555664	200.0
63.16486358642578	176.0
63.775333404541016	232.0
66.77246856689453	172.0
67.85673522949219	172.0
67.90592956542969	156.0
73.31021118164062	224.0
73.75395202636719	184.0
74.50279235839844	152.0
75.35952758789062	204.0
76.3384017944336	164.0
77.8886489868164	212.0
84.20712280273438	176.0
90.32500457763672	148.0
91.05287170410156	316.0
93.96051788330078	196.0
96.09663391113281	164.0
96.60066986083984	152.0
97.48674011230469	160.0
98.3021469116211	140.0
99.3071517944336	164.0
100.56659698486328	148.0
100.69837188720703	144.0
102.05465698242188	868.0
103.05557250976562	256.0
103.07091522216797	140.0
103.29936981201172	184.0
106.7565689086914	160.0
107.26924133300781	176.0
107.72321319580078	180.0
108.86028289794922	156.0
110.09632873535156	808.0
110.24141693115234	200.0
111.0201644897461	200.0
111.3351821899414	184.0
112.74009704589844	168.0
114.53075408935547	180.0
115.0621337890625	196.0
115.19841766357422	188.0
116.06304931640625	168.0
116.98473358154297	160.0
117.02288818359375	216.0
117.0704345703125	6488.0
117.10746765136719	212.0
117.3013916015625	152.0
118.07238006591797	984.0
118.99312591552734	192.0
119.07998657226562	212.0
120.32991027832031	156.0
121.79054260253906	224.0
124.56269836425781	176.0
124.98065185546875	168.0
126.38188171386719	148.0
126.8387451171875	220.0
129.69691467285156	176.0
130.08682250976562	6416.0
130.150634765625	148.0
131.08824157714844	532.0
132.1015167236328	148.0
133.88491821289062	140.0
133.97244262695312	180.0
134.09703063964844	3688.0
134.27330017089844	184.0
135.10296630859375	504.0
135.55975341796875	192.0
135.8286895751953	212.0
136.1048583984375	164.0
136.84425354003906	148.0
138.09036254882812	168.0
138.26815795898438	172.0
139.50897216796875	144.0
141.29893493652344	156.0
142.7386474609375	296.0
143.25035095214844	152.0
143.9706573486328	148.0
144.0786895751953	292.0
144.3876495361328	168.0
144.64248657226562	188.0
145.06153869628906	264.0
145.63516235351562	144.0
145.81295776367188	164.0
145.94517517089844	148.0
146.07504272460938	208.0
149.84683227539062	168.0
152.0843963623047	196.0
155.0117950439453	180.0
156.1026153564453	4088.0
157.10472106933594	604.0
157.80706787109375	180.0
158.10223388671875	184.0
158.33755493164062	180.0
159.91928100585938	168.0
160.11265563964844	14008.0
160.1573028564453	112.0
161.11412048339844	1436.0
162.1086883544922	152.0
162.12716674804688	524.0
162.27870178222656	168.0
167.00050354003906	168.0
176.0129852294922	192.0
178.12222290039062	184.0
182.3185577392578	180.0
184.09654235839844	356.0
185.10519409179688	144.0
185.95187377929688	180.0
188.11119079589844	352.0
190.39569091796875	180.0
199.97695922851562	152.0
200.84759521484375	152.0
206.11607360839844	1120.0
206.14633178710938	416.0
206.57711791992188	160.0
207.00643920898438	176.0
207.1202392578125	288.0
207.16969299316406	140.0
208.6246337890625	144.0
208.72813415527344	200.0
209.1222686767578	152.0
211.72352600097656	152.0
212.2857208251953	156.0
215.36778259277344	148.0
219.2257843017578	184.0
220.562744140625	204.0
220.60118103027344	212.0
223.9125213623047	216.0
225.7747802734375	152.0
233.06689453125	184.0
233.47119140625	160.0
233.51072692871094	108.0
233.78289794921875	144.0
233.90676879882812	120.0
233.95335388183594	436.0
234.02195739746094	144.0
234.0463104248047	144.0
234.08737182617188	128.0
234.1497039794922	67724.0
234.24395751953125	188.0
234.31332397460938	96.0
234.36849975585938	160.0
234.40176391601562	160.0
234.67347717285156	100.0
235.15219116210938	7396.0
236.1533203125	1168.0
236.2157745361328	112.0
236.59324645996094	128.0
236.67465209960938	100.0
237.09799194335938	168.0
237.15316772460938	180.0
237.6718292236328	124.0
239.7347412109375	152.0
242.6371307373047	164.0
247.70428466796875	140.0
248.39390563964844	140.0
248.76319885253906	116.0
260.3635559082031	140.0
261.6980285644531	192.0
269.9595947265625	160.0
270.8399658203125	144.0
272.1637268066406	316.0
276.936767578125	204.0
280.02557373046875	192.0
283.8319091796875	176.0
290.95782470703125	144.0
293.9530334472656	216.0
299.3658142089844	164.0
303.4638977050781	192.0
310.0591125488281	152.0
311.3531799316406	148.0
326.4544982910156	156.0
326.881591796875	160.0
328.8538818359375	148.0
332.12835693359375	212.0
334.45379638671875	176.0
341.2066955566406	180.0
341.8687744140625	200.0
343.05474853515625	184.0
343.2005310058594	6716.0
343.60345458984375	208.0
344.1407775878906	172.0
344.2052001953125	2228.0
345.027099609375	144.0
345.209716796875	332.0
346.20269775390625	168.0
346.5557556152344	180.0
347.8563232421875	188.0
347.9119873046875	148.0
353.68994140625	144.0
354.090576171875	188.0
357.2171630859375	148.0
365.08428955078125	204.0
368.67919921875	144.0
369.0538024902344	272.0
369.3941650390625	172.0
372.52984619140625	196.0
374.7766418457031	144.0
375.55535888671875	156.0
376.2422180175781	200.0
380.44256591796875	160.0
385.9398498535156	184.0
385.97113037109375	180.0
388.43450927734375	144.0
393.2703552246094	152.0
399.1391296386719	252.0
399.8177185058594	176.0
408.484130859375	152.0
408.7348937988281	136.0
409.0514831542969	144.0
409.32525634765625	144.0
409.8529357910156	168.0
409.98590087890625	148.0
412.3243408203125	192.0
413.75042724609375	140.0
413.9498596191406	128.0
414.2578430175781	120.0
414.58074951171875	140.0
414.7145080566406	164.0
415.1783752441406	252.0
415.51336669921875	148.0
416.0636291503906	156.0
416.1793212890625	312.0
416.2183532714844	140.0
416.2939147949219	156.0
416.3360290527344	148.0
416.5107421875	104.0
416.6734313964844	124.0
416.710205078125	232.0
416.82501220703125	168.0
416.887939453125	212.0
417.044189453125	196.0
417.1268310546875	356.0
417.1701354980469	360.0
417.24017333984375	138144.0
417.3696594238281	236.0
417.46697998046875	136.0
417.5218505859375	188.0
417.60345458984375	104.0
417.6527099609375	124.0
417.7028503417969	136.0
417.83721923828125	396.0
417.9100036621094	500.0
418.05059814453125	252.0
418.16668701171875	112.0
418.24212646484375	33144.0
418.35595703125	208.0
418.6063232421875	160.0
418.647216796875	176.0
418.8564147949219	144.0
419.0	136.0
419.0479431152344	172.0
419.08172607421875	308.0
419.24444580078125	5244.0
419.5617980957031	112.0
420.1612548828125	96.0
420.2449645996094	568.0
420.3575439453125	240.0
420.5506286621094	100.0
420.59130859375	140.0
420.6690368652344	116.0
420.83587646484375	312.0
420.9918518066406	112.0
421.0743103027344	140.0
421.33734130859375	112.0
421.7872009277344	96.0
422.0096740722656	100.0
423.1979064941406	100.0
423.7188720703125	100.0
428.2511901855469	140.0
429.7276611328125	96.0
436.1831970214844	144.0
501.79132080078125	168.0
513.26513671875	156.0
595.4929809570312	140.0
893.4440307617188	204.0
1204.49462890625	192.0
1253.324951171875	140.0
1259.660400390625	152.0
1367.8170166015625	172.0
1521.9371337890625	180.0
1566.3511962890625	144.0
1590.572265625	164.0
1607.6112060546875	160.0
1617.16162109375	268.0
1649.8846435546875	152.0
1656.0263671875	176.0
1658.6029052734375	144.0
1667.4742431640625	164.0
1715.514404296875	184.0
1739.1884765625	160.0
1756.1788330078125	204.0
1778.9638671875	160.0
1792.9345703125	208.0
1818.0684814453125	144.0
1819.0191650390625	204.0
1832.43017578125	216.0
1844.3773193359375	164.0
1847.1905517578125	184.0
1870.9957275390625	188.0
1872.261474609375	144.0
1898.437744140625	168.0
1912.41650390625	152.0
1916.6923828125	168.0
1933.32763671875	264.0
1942.9921875	152.0
1960.2078857421875	152.0
1969.117919921875	152.0
1985.295654296875	216.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078987
PEPMASS=382.174255
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=azelastine hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCCC(CC1)n2nc(Cc3ccc(Cl)cc3)c4ccccc4c2=O
INCHI=InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
INCHIAUX=MBUVEWMHONZEQD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078987
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078987
SCANS=1167
45.030242919921875	188.0
45.08101272583008	156.0
45.19601058959961	160.0
45.28838348388672	208.0
45.56875228881836	200.0
45.680335998535156	204.0
46.5102424621582	172.0
46.68392562866211	244.0
46.93857192993164	228.0
47.40196990966797	156.0
47.45405578613281	208.0
47.52263641357422	148.0
48.057865142822266	144.0
48.467140197753906	176.0
48.51980972290039	176.0
48.67659378051758	184.0
48.75994873046875	160.0
48.81972885131836	196.0
49.496524810791016	140.0
49.7573127746582	220.0
49.81910705566406	152.0
49.982200622558594	144.0
50.539554595947266	168.0
51.22670364379883	152.0
51.46772766113281	160.0
51.56344223022461	168.0
51.780906677246094	160.0
52.315059661865234	148.0
52.41587829589844	196.0
52.994476318359375	176.0
53.347965240478516	224.0
53.401763916015625	148.0
53.761619567871094	148.0
53.897422790527344	176.0
54.113895416259766	212.0
54.20561218261719	148.0
54.30733108520508	200.0
54.3440055847168	160.0
54.50551986694336	144.0
54.63784408569336	212.0
55.36406326293945	156.0
55.48853302001953	140.0
55.62946701049805	172.0
56.1383171081543	152.0
56.790382385253906	156.0
56.9134407043457	228.0
57.00657272338867	144.0
57.55340576171875	168.0
57.63795852661133	148.0
58.62431335449219	156.0
58.93254852294922	200.0
59.30657958984375	108.0
59.336605072021484	160.0
60.134971618652344	160.0
60.93556594848633	200.0
61.14081954956055	176.0
62.5243034362793	144.0
62.743247985839844	160.0
63.264583587646484	256.0
63.30023193359375	132.0
63.59429168701172	152.0
64.02037048339844	156.0
64.11595153808594	196.0
64.18290710449219	156.0
65.16728210449219	224.0
65.3779296875	252.0
65.67215728759766	204.0
65.89875793457031	152.0
65.94239044189453	188.0
66.431396484375	224.0
66.5255126953125	156.0
66.63107299804688	168.0
66.78550720214844	168.0
66.87987518310547	160.0
66.89127349853516	152.0
66.9808349609375	148.0
67.08023071289062	216.0
67.69127655029297	168.0
67.99784088134766	204.0
68.75984191894531	172.0
68.7730484008789	200.0
68.87211608886719	196.0
69.0671615600586	144.0
69.21776580810547	192.0
69.27075958251953	188.0
69.5244369506836	168.0
69.58236694335938	176.0
69.60578155517578	152.0
69.8018569946289	172.0
70.22486114501953	172.0
70.52873992919922	140.0
70.67089080810547	192.0
71.81153869628906	184.0
71.8277359008789	152.0
72.28697204589844	256.0
72.5606460571289	156.0
73.12290954589844	196.0
73.46186065673828	184.0
74.27622985839844	240.0
75.05279541015625	168.0
75.49044799804688	336.0
76.48457336425781	180.0
76.54724884033203	176.0
78.13127136230469	192.0
79.30379486083984	140.0
79.4758071899414	152.0
81.2977294921875	208.0
81.56411743164062	124.0
81.59589385986328	196.0
82.35635375976562	144.0
82.48283386230469	168.0
82.71798706054688	184.0
85.66539001464844	168.0
85.71881866455078	172.0
86.36498260498047	156.0
86.65006256103516	140.0
86.9764404296875	164.0
87.03398895263672	148.0
87.43365478515625	176.0
87.60868072509766	168.0
87.91819763183594	140.0
88.67188262939453	224.0
88.73186492919922	140.0
88.89317321777344	192.0
89.17487335205078	148.0
89.30648803710938	144.0
89.40996551513672	192.0
89.80561065673828	168.0
90.24372863769531	140.0
90.39505004882812	156.0
91.28852081298828	164.0
92.07939910888672	208.0
93.7002944946289	260.0
93.79856872558594	160.0
93.99722290039062	200.0
94.0280990600586	148.0
94.35260772705078	148.0
94.79778289794922	168.0
95.15856170654297	184.0
95.32755279541016	208.0
95.38780212402344	144.0
95.70686340332031	164.0
96.08702850341797	152.0
96.12399291992188	172.0
96.14936065673828	164.0
96.19035339355469	228.0
96.53421020507812	156.0
96.8355941772461	172.0
97.08840942382812	180.0
97.28266143798828	172.0
97.30621337890625	144.0
97.83112335205078	204.0
98.0970687866211	468.0
98.63595581054688	148.0
98.69526672363281	140.0
99.00198364257812	204.0
99.138671875	184.0
99.18822479248047	204.0
99.68438720703125	180.0
99.96477508544922	192.0
100.11407470703125	172.0
100.28055572509766	164.0
101.34696197509766	140.0
102.64907836914062	256.0
102.9214859008789	220.0
102.95581817626953	148.0
102.98611450195312	160.0
103.0325698852539	140.0
103.05386352539062	208.0
103.46131134033203	164.0
103.55786895751953	140.0
104.06344604492188	140.0
104.55535888671875	164.0
104.7713851928711	216.0
104.79564666748047	160.0
105.53245544433594	208.0
106.51820373535156	188.0
106.5654525756836	192.0
106.7216567993164	140.0
107.26721954345703	148.0
107.54361724853516	244.0
107.99610900878906	144.0
108.33721160888672	132.0
108.41431427001953	192.0
108.52832794189453	172.0
109.95744323730469	152.0
110.09735870361328	1144.0
110.51956939697266	148.0
110.64305877685547	164.0
110.65980529785156	144.0
110.90909576416016	144.0
111.0551986694336	164.0
111.1084976196289	176.0
111.60186767578125	208.0
111.83747863769531	196.0
111.89977264404297	204.0
111.95641326904297	196.0
112.02828979492188	384.0
112.05274200439453	144.0
112.0771713256836	384.0
112.0915298461914	388.0
112.11309051513672	99900.0
112.1921615600586	148.0
112.26097869873047	256.0
112.28140258789062	200.0
112.45843505859375	112.0
112.71935272216797	248.0
113.09484100341797	156.0
113.11617279052734	7332.0
113.15896606445312	196.0
113.79448699951172	96.0
113.90861511230469	116.0
113.92345428466797	148.0
113.9464340209961	108.0
113.97098541259766	100.0
113.9968490600586	112.0
114.03923034667969	112.0
114.11666870117188	132.0
114.52654266357422	160.0
114.75511169433594	140.0
115.81879425048828	216.0
116.01807403564453	208.0
116.20895385742188	152.0
118.10094451904297	196.0
118.18041229248047	176.0
118.45757293701172	184.0
119.41474151611328	164.0
119.76806640625	108.0
121.37581634521484	164.0
121.94219207763672	236.0
122.44161224365234	140.0
122.60376739501953	128.0
122.9153823852539	236.0
124.9339828491211	168.0
125.0157699584961	2408.0
125.6290283203125	196.0
126.01749420166016	360.0
126.36576080322266	120.0
126.44459533691406	160.0
126.78052520751953	180.0
127.01348114013672	592.0
127.60655212402344	192.0
128.01063537597656	192.0
128.23008728027344	232.0
128.92066955566406	204.0
129.25987243652344	156.0
129.54966735839844	164.0
129.9214630126953	196.0
130.0326385498047	192.0
130.3385467529297	136.0
131.05038452148438	448.0
132.09242248535156	148.0
132.91490173339844	184.0
133.3098602294922	172.0
134.70376586914062	172.0
136.07705688476562	200.0
136.40927124023438	140.0
136.8396453857422	140.0
137.16346740722656	148.0
137.9033660888672	164.0
138.46487426757812	144.0
138.6007537841797	160.0
138.69448852539062	164.0
138.80702209472656	172.0
139.19805908203125	212.0
139.80067443847656	148.0
141.5498809814453	180.0
143.09799194335938	160.0
145.3975372314453	148.0
146.7421875	172.0
148.86422729492188	184.0
149.9931182861328	148.0
150.5591583251953	232.0
151.3612518310547	172.0
153.0530548095703	152.0
153.07275390625	176.0
153.23777770996094	180.0
153.2747344970703	228.0
153.36839294433594	140.0
155.9442596435547	164.0
156.37525939941406	140.0
156.45741271972656	180.0
156.63670349121094	180.0
157.5996856689453	140.0
158.15234375	168.0
158.72354125976562	172.0
158.81883239746094	160.0
159.0557861328125	5020.0
159.11244201660156	200.0
160.06179809570312	668.0
160.5290069580078	140.0
161.0795135498047	164.0
161.6252899169922	160.0
162.61868286132812	180.0
163.7195281982422	140.0
164.4284210205078	116.0
164.94418334960938	168.0
164.9774169921875	148.0
165.0208740234375	176.0
165.62994384765625	148.0
166.38900756835938	192.0
167.02886962890625	244.0
167.27589416503906	176.0
168.7463836669922	124.0
169.06712341308594	152.0
169.2583770751953	172.0
169.76397705078125	176.0
171.01881408691406	140.0
171.38531494140625	136.0
171.49024963378906	172.0
172.38832092285156	168.0
172.9947967529297	148.0
173.35830688476562	196.0
174.10650634765625	140.0
174.58216857910156	188.0
175.16647338867188	164.0
175.78076171875	148.0
176.69232177734375	148.0
177.08908081054688	180.0
177.52943420410156	96.0
177.65928649902344	148.0
179.26519775390625	176.0
179.3634490966797	148.0
179.46778869628906	160.0
179.62246704101562	168.0
179.7104949951172	140.0
180.423583984375	168.0
180.9962158203125	164.0
181.81106567382812	168.0
182.07147216796875	140.0
182.3885040283203	212.0
183.0530242919922	148.0
183.40594482421875	228.0
183.43560791015625	148.0
183.85365295410156	224.0
184.21275329589844	180.0
184.25057983398438	228.0
184.4586639404297	148.0
184.63169860839844	148.0
184.7263641357422	196.0
184.83187866210938	152.0
185.07492065429688	208.0
185.10256958007812	152.0
185.2108917236328	200.0
185.3788604736328	156.0
186.0216522216797	140.0
186.21224975585938	164.0
186.24432373046875	168.0
186.42091369628906	144.0
186.6193389892578	208.0
186.76890563964844	172.0
186.89801025390625	184.0
187.4904022216797	160.0
187.63214111328125	148.0
187.9648895263672	152.0
188.26516723632812	144.0
188.6668243408203	228.0
188.8256378173828	100.0
188.92935180664062	148.0
189.93467712402344	176.0
190.28045654296875	164.0
191.67218017578125	156.0
191.79620361328125	156.0
192.48590087890625	156.0
192.75108337402344	172.0
193.2930450439453	204.0
194.04920959472656	148.0
194.2710723876953	176.0
194.73916625976562	112.0
194.8710174560547	156.0
195.6243896484375	144.0
195.78866577148438	212.0
196.14776611328125	140.0
196.34046936035156	184.0
196.6503448486328	172.0
197.07569885253906	212.0
197.2470703125	164.0
197.41983032226562	128.0
198.07492065429688	164.0
199.11953735351562	160.0
200.01925659179688	176.0
200.07275390625	172.0
200.0924530029297	152.0
200.57135009765625	184.0
200.82229614257812	160.0
200.92384338378906	152.0
201.30628967285156	184.0
201.50259399414062	156.0
202.7844696044922	184.0
202.8424835205078	128.0
203.0790252685547	188.0
203.20130920410156	140.0
203.68106079101562	144.0
203.98226928710938	168.0
204.07608032226562	172.0
204.71630859375	300.0
205.98548889160156	152.0
207.0210418701172	116.0
207.4162139892578	228.0
208.28277587890625	232.0
208.63047790527344	152.0
208.98338317871094	152.0
209.459228515625	172.0
210.7025604248047	180.0
210.72567749023438	148.0
211.04071044921875	140.0
211.08697509765625	168.0
211.1158905029297	204.0
211.655029296875	104.0
212.7798309326172	200.0
213.9972686767578	176.0
214.132080078125	176.0
214.30599975585938	148.0
214.6149444580078	180.0
214.7811737060547	140.0
214.84364318847656	136.0
215.01458740234375	192.0
215.12550354003906	180.0
215.29653930664062	116.0
215.71742248535156	128.0
215.75942993164062	140.0
216.81175231933594	148.0
217.36154174804688	156.0
217.46424865722656	240.0
217.5552520751953	164.0
218.28977966308594	152.0
218.3397674560547	156.0
218.49566650390625	164.0
219.06903076171875	344.0
219.1109619140625	180.0
219.16282653808594	116.0
219.37619018554688	168.0
219.5088653564453	164.0
219.8433380126953	140.0
220.06895446777344	252.0
220.3589324951172	192.0
220.61013793945312	144.0
220.96502685546875	172.0
221.08094787597656	140.0
221.2076873779297	140.0
221.31723022460938	232.0
222.1368408203125	144.0
222.5625457763672	180.0
222.72589111328125	164.0
223.52859497070312	160.0
224.12034606933594	260.0
224.3088836669922	204.0
224.8935089111328	164.0
224.95321655273438	220.0
225.13833618164062	212.0
225.23878479003906	132.0
225.27870178222656	176.0
226.03201293945312	104.0
227.05557250976562	404.0
227.33863830566406	140.0
227.4556884765625	188.0
227.52774047851562	140.0
227.94223022460938	176.0
228.06097412109375	160.0
228.60980224609375	268.0
229.30087280273438	128.0
229.9508819580078	188.0
232.07032775878906	152.0
232.18060302734375	180.0
232.5203857421875	220.0
232.65394592285156	148.0
233.50778198242188	140.0
233.7024688720703	148.0
234.35678100585938	156.0
234.42108154296875	184.0
236.49940490722656	108.0
236.62332153320312	144.0
236.92037963867188	140.0
237.13487243652344	140.0
237.2390899658203	140.0
237.31573486328125	152.0
237.92494201660156	116.0
238.0416259765625	152.0
238.53759765625	140.0
238.9896697998047	196.0
239.30258178710938	204.0
239.45449829101562	140.0
240.0523681640625	148.0
241.0452423095703	224.0
241.4172821044922	144.0
242.04489135742188	112.0
242.42337036132812	192.0
243.8043212890625	144.0
243.8478240966797	140.0
244.2955780029297	164.0
245.05831909179688	152.0
246.82545471191406	152.0
247.10646057128906	224.0
248.32186889648438	152.0
249.0594482421875	232.0
249.4522247314453	140.0
249.939697265625	216.0
250.200927734375	160.0
252.26724243164062	140.0
252.3557586669922	232.0
252.69418334960938	172.0
252.83340454101562	172.0
253.4266357421875	176.0
253.59848022460938	176.0
254.03697204589844	580.0
255.0531768798828	364.0
255.27291870117188	148.0
255.5464630126953	156.0
255.63873291015625	168.0
256.0524597167969	340.0
257.0504150390625	252.0
257.0791320800781	160.0
257.52288818359375	160.0
257.56988525390625	200.0
258.0589904785156	120.0
258.2516174316406	196.0
258.3859558105469	156.0
259.056396484375	256.0
259.2530517578125	180.0
259.3382873535156	204.0
259.3786926269531	144.0
259.9078369140625	184.0
262.6875305175781	140.0
263.9050598144531	148.0
264.2673034667969	168.0
264.3837890625	168.0
265.04107666015625	192.0
265.1610412597656	140.0
265.2647705078125	176.0
265.4625244140625	144.0
265.79339599609375	196.0
266.2088928222656	156.0
267.39599609375	128.0
267.8904113769531	200.0
268.0174865722656	156.0
268.135498046875	184.0
268.55535888671875	196.0
269.0872802734375	140.0
269.1294250488281	192.0
270.0545349121094	156.0
270.0774230957031	172.0
270.38848876953125	164.0
270.4268493652344	156.0
270.5060729980469	168.0
270.6599426269531	180.0
270.8039245605469	96.0
270.90887451171875	140.0
271.06396484375	20192.0
271.1299743652344	108.0
271.1814880371094	160.0
271.6169128417969	176.0
271.8236083984375	140.0
272.0085754394531	180.0
272.06671142578125	2264.0
272.6116943359375	148.0
272.80224609375	152.0
273.01605224609375	168.0
273.061767578125	6252.0
273.2759094238281	184.0
273.6148986816406	140.0
274.0631103515625	856.0
274.11407470703125	160.0
274.86810302734375	112.0
275.2931823730469	156.0
276.1260070800781	152.0
276.3972473144531	140.0
276.5892028808594	144.0
276.7290954589844	140.0
276.79779052734375	244.0
277.3974609375	192.0
277.51678466796875	184.0
278.0973205566406	192.0
278.13385009765625	152.0
278.9908752441406	176.0
279.2103271484375	156.0
279.4554443359375	156.0
280.0928039550781	136.0
280.9123229980469	140.0
281.22265625	220.0
281.2569274902344	160.0
281.6333312988281	168.0
281.76361083984375	168.0
282.06512451171875	328.0
282.2950439453125	148.0
282.3218078613281	220.0
282.39202880859375	188.0
282.4856872558594	180.0
282.6864318847656	192.0
283.0638122558594	10704.0
283.16265869140625	164.0
283.4576721191406	152.0
283.671875	124.0
283.77166748046875	220.0
283.9728698730469	176.0
284.06634521484375	2128.0
284.4803771972656	132.0
284.95977783203125	148.0
285.0618591308594	3836.0
285.2118225097656	148.0
285.3294677734375	140.0
285.37957763671875	116.0
285.7350158691406	124.0
285.8741760253906	128.0
285.95849609375	200.0
286.0642395019531	824.0
286.21728515625	156.0
286.2547607421875	156.0
286.3861083984375	152.0
286.58941650390625	168.0
287.19256591796875	164.0
287.55267333984375	192.0
288.7351379394531	144.0
289.4322204589844	192.0
290.4809265136719	128.0
290.8064270019531	144.0
290.985107421875	140.0
291.01226806640625	148.0
291.62371826171875	164.0
292.13037109375	176.0
292.1639709472656	132.0
292.4638366699219	164.0
293.1654052734375	144.0
293.1960754394531	160.0
293.2676696777344	192.0
293.584716796875	156.0
293.6461181640625	240.0
294.0350341796875	160.0
294.345703125	140.0
294.4344787597656	176.0
294.4966125488281	192.0
295.0939636230469	196.0
295.3743896484375	140.0
295.6412658691406	204.0
295.9322204589844	164.0
296.1068420410156	252.0
296.5145568847656	152.0
296.6208190917969	144.0
297.0786437988281	764.0
297.6122741699219	164.0
298.0828552246094	152.0
298.3371887207031	152.0
298.3887634277344	164.0
298.7292175292969	164.0
298.7670593261719	152.0
299.0728759765625	300.0
299.76898193359375	152.0
300.5655212402344	212.0
301.21148681640625	108.0
301.4598693847656	148.0
301.5600891113281	168.0
301.836669921875	160.0
301.9922790527344	192.0
303.0307922363281	176.0
304.07073974609375	128.0
304.2376708984375	192.0
304.5467224121094	232.0
304.75396728515625	128.0
304.8489685058594	168.0
305.6974792480469	148.0
305.9262390136719	120.0
305.9591979980469	164.0
306.3381042480469	140.0
306.9619445800781	164.0
307.53759765625	228.0
308.0162353515625	144.0
308.0648498535156	160.0
308.1874694824219	124.0
308.4667053222656	140.0
308.65997314453125	100.0
309.07952880859375	1856.0
309.2231750488281	148.0
309.9418029785156	156.0
310.0797424316406	436.0
310.1401062011719	168.0
310.3712463378906	208.0
310.9640808105469	152.0
311.0763854980469	404.0
311.3292236328125	156.0
312.0073547363281	140.0
312.08135986328125	232.0
312.1531677246094	116.0
313.5292663574219	156.0
314.95330810546875	176.0
315.31719970703125	200.0
315.5469665527344	160.0
315.7025451660156	144.0
315.8935546875	144.0
316.0209045410156	164.0
316.09521484375	216.0
316.41729736328125	160.0
316.7386169433594	144.0
317.7569580078125	144.0
317.9450378417969	188.0
318.4150085449219	156.0
318.58770751953125	148.0
318.6402282714844	132.0
318.91461181640625	160.0
320.43408203125	188.0
320.45904541015625	172.0
321.2469177246094	168.0
321.62957763671875	136.0
321.925048828125	144.0
322.5788879394531	204.0
322.8598937988281	128.0
323.0947265625	304.0
323.4051513671875	148.0
323.77471923828125	340.0
324.1025695800781	172.0
324.53717041015625	168.0
324.759521484375	140.0
326.1274719238281	152.0
326.58770751953125	252.0
326.9403076171875	140.0
327.51275634765625	160.0
327.7433166503906	168.0
328.132568359375	168.0
328.5689392089844	160.0
328.61944580078125	144.0
329.4266357421875	96.0
329.5581970214844	188.0
330.7660827636719	164.0
331.18292236328125	100.0
331.24041748046875	148.0
331.8021240234375	164.0
332.2881164550781	160.0
332.6001892089844	176.0
333.10491943359375	148.0
333.4537353515625	176.0
333.71270751953125	148.0
333.8536376953125	156.0
333.94366455078125	180.0
334.1419677734375	164.0
336.2252502441406	244.0
336.77288818359375	156.0
337.2222900390625	196.0
338.28302001953125	100.0
338.79205322265625	188.0
339.124755859375	1144.0
339.4481201171875	192.0
339.66815185546875	148.0
340.1287536621094	296.0
340.60784912109375	160.0
341.0744934082031	172.0
341.1271057128906	364.0
342.131103515625	304.0
342.16204833984375	120.0
343.276123046875	148.0
343.54534912109375	224.0
344.2170715332031	228.0
345.26287841796875	168.0
345.28875732421875	172.0
346.3472900390625	140.0
346.3806457519531	140.0
346.7416687011719	184.0
347.08477783203125	152.0
347.2331237792969	156.0
347.4853515625	176.0
348.5026550292969	160.0
348.7323303222656	164.0
349.1107482910156	108.0
351.0544128417969	112.0
351.127197265625	3700.0
351.9890441894531	172.0
352.1292724609375	1292.0
352.6241149902344	168.0
352.7154846191406	124.0
352.8101806640625	124.0
352.8932800292969	172.0
353.1233825683594	812.0
353.20855712890625	236.0
353.34954833984375	208.0
354.128662109375	216.0
354.294677734375	132.0
354.5552673339844	192.0
355.4190673828125	192.0
355.7104797363281	140.0
355.9883117675781	152.0
356.7622985839844	164.0
357.3226623535156	160.0
357.35650634765625	140.0
357.7215576171875	172.0
358.011474609375	144.0
358.5614929199219	168.0
358.6105041503906	160.0
358.95733642578125	140.0
359.22509765625	152.0
359.6590270996094	152.0
359.9270935058594	184.0
360.10833740234375	156.0
360.2292175292969	168.0
360.31231689453125	156.0
360.618408203125	208.0
360.852783203125	160.0
361.62445068359375	188.0
362.3098449707031	172.0
362.44622802734375	140.0
362.5159606933594	108.0
362.9806823730469	140.0
363.6673583984375	180.0
364.09637451171875	188.0
364.48382568359375	164.0
365.09967041015625	148.0
365.400146484375	148.0
365.83612060546875	180.0
365.9710388183594	200.0
366.1634216308594	116.0
367.262939453125	160.0
367.5795593261719	236.0
367.797119140625	184.0
368.156005859375	140.0
369.1151428222656	140.0
369.60858154296875	148.0
369.7386779785156	144.0
370.56195068359375	152.0
370.5887756347656	152.0
371.3279113769531	200.0
371.4429626464844	108.0
371.8388671875	140.0
372.0307922363281	144.0
372.16033935546875	188.0
372.4706115722656	188.0
372.7916564941406	200.0
373.4525451660156	168.0
375.8448486328125	212.0
376.1574401855469	236.0
377.0430908203125	148.0
377.1064758300781	172.0
377.3355712890625	220.0
377.4649963378906	128.0
377.6134338378906	136.0
378.32000732421875	140.0
378.4770812988281	188.0
378.59210205078125	136.0
378.7210693359375	236.0
378.8486633300781	140.0
378.9496154785156	172.0
378.982666015625	128.0
379.1380920410156	140.0
379.3268127441406	120.0
379.3706970214844	220.0
379.4269104003906	232.0
379.4983215332031	208.0
379.5234680175781	340.0
379.5672302246094	116.0
379.61199951171875	188.0
379.7308349609375	112.0
379.7789001464844	152.0
379.85540771484375	112.0
379.88714599609375	120.0
379.92852783203125	136.0
380.0392761230469	148.0
380.0845947265625	188.0
380.1511535644531	440.0
380.2069396972656	112.0
380.26568603515625	232.0
380.339599609375	224.0
380.3763427734375	264.0
380.45849609375	132.0
380.5255432128906	192.0
380.5948486328125	232.0
380.7466735839844	256.0
380.77093505859375	308.0
380.8361511230469	224.0
380.9443359375	208.0
381.0088195800781	260.0
381.0440979003906	432.0
381.0735168457031	468.0
381.1126708984375	116.0
381.1505126953125	384.0
381.1813659667969	408.0
381.21539306640625	144.0
381.2671203613281	392.0
381.3069152832031	180.0
381.35125732421875	200.0
381.40850830078125	320.0
381.45452880859375	104.0
381.49298095703125	240.0
381.5376892089844	272.0
381.6160888671875	340.0
381.6683654785156	428.0
381.6946105957031	528.0
381.7333984375	280.0
381.7931213378906	336.0
381.8383483886719	188.0
381.9024658203125	316.0
381.9540710449219	356.0
382.0304260253906	460.0
382.0943603515625	1092.0
382.17138671875	237704.0
382.31231689453125	300.0
382.3987731933594	108.0
382.4445495605469	304.0
382.5359802246094	576.0
382.59375	740.0
382.6387634277344	224.0
382.6503601074219	276.0
382.7279052734375	148.0
382.7646789550781	584.0
382.81329345703125	11120.0
382.8595275878906	924.0
382.9219665527344	180.0
382.97943115234375	412.0
383.0278015136719	116.0
383.0738525390625	220.0
383.17333984375	149040.0
383.2920227050781	248.0
383.33233642578125	192.0
383.3846740722656	136.0
383.43603515625	268.0
383.4617004394531	236.0
383.5110168457031	256.0
383.5526428222656	216.0
383.7037353515625	288.0
383.74847412109375	416.0
383.8152160644531	924.0
383.95587158203125	156.0
384.0273742675781	156.0
384.0960388183594	476.0
384.1679382324219	172884.0
384.3078308105469	112.0
384.3606872558594	312.0
384.43060302734375	436.0
384.51519775390625	256.0
384.5621337890625	208.0
384.6092529296875	160.0
384.7386779785156	224.0
384.80908203125	956.0
384.8636779785156	384.0
384.9360046386719	312.0
384.9769287109375	348.0
385.00592041015625	312.0
385.0227355957031	248.0
385.03375244140625	244.0
385.0523376464844	180.0
385.0628662109375	268.0
385.1046142578125	148.0
385.1689758300781	34708.0
385.259521484375	304.0
385.2887268066406	276.0
385.3570556640625	272.0
385.4072570800781	376.0
385.4720764160156	252.0
385.5713195800781	124.0
385.6177673339844	172.0
385.6475830078125	160.0
385.6792297363281	344.0
385.72943115234375	272.0
385.8358459472656	204.0
385.87744140625	300.0
386.0016784667969	176.0
386.04730224609375	212.0
386.1764831542969	848.0
386.30206298828125	216.0
386.42303466796875	104.0
386.4770812988281	352.0
386.53790283203125	104.0
386.62847900390625	172.0
386.6705627441406	164.0
386.6835021972656	228.0
386.85577392578125	124.0
386.931884765625	144.0
387.0010986328125	104.0
387.0687561035156	152.0
387.2705383300781	160.0
387.3309020996094	260.0
387.3717346191406	108.0
387.5230712890625	156.0
387.6186218261719	164.0
387.68505859375	432.0
387.7323303222656	124.0
387.78851318359375	188.0
387.850341796875	200.0
388.1900939941406	128.0
388.5125427246094	184.0
388.5617980957031	268.0
389.04571533203125	108.0
389.3008728027344	156.0
393.4381103515625	96.0
394.4085693359375	124.0
395.43768310546875	100.0
395.9805603027344	96.0
396.5455322265625	104.0
397.1889343261719	128.0
397.33843994140625	148.0
397.6259765625	100.0
397.6927185058594	168.0
398.3586120605469	216.0
398.5866394042969	128.0
400.1032409667969	168.0
402.94537353515625	108.0
403.3016662597656	96.0
406.8992614746094	96.0
408.32427978515625	148.0
409.1592712402344	104.0
415.03900146484375	140.0
426.33721923828125	124.0
449.8774719238281	168.0
521.2319946289062	192.0
522.32763671875	144.0
526.7811889648438	152.0
529.2874145507812	148.0
536.0839233398438	96.0
555.3123168945312	132.0
559.7652587890625	152.0
575.4506225585938	148.0
599.5361328125	140.0
633.2776489257812	152.0
653.7349243164062	144.0
660.3904418945312	100.0
745.4359741210938	148.0
927.6637573242188	168.0
930.9224243164062	184.0
1210.560546875	156.0
1215.710205078125	136.0
1216.37744140625	168.0
1250.213134765625	176.0
1276.7423095703125	192.0
1294.969970703125	172.0
1300.3973388671875	220.0
1356.226806640625	152.0
1366.095703125	148.0
1383.778076171875	168.0
1384.9852294921875	148.0
1392.4837646484375	184.0
1392.6470947265625	144.0
1403.7135009765625	192.0
1412.3319091796875	160.0
1415.302978515625	156.0
1476.59423828125	148.0
1477.69580078125	176.0
1482.565673828125	148.0
1484.014404296875	172.0
1484.3671875	156.0
1484.949951171875	172.0
1486.1544189453125	160.0
1488.5799560546875	176.0
1518.3992919921875	144.0
1519.151611328125	144.0
1521.4254150390625	188.0
1525.1151123046875	176.0
1534.316162109375	188.0
1539.044189453125	212.0
1547.63720703125	152.0
1552.9190673828125	164.0
1556.9530029296875	172.0
1557.9190673828125	148.0
1561.2674560546875	196.0
1573.093994140625	188.0
1579.795166015625	140.0
1582.351318359375	184.0
1583.3807373046875	188.0
1588.842041015625	180.0
1590.087890625	156.0
1596.5308837890625	164.0
1611.7322998046875	180.0
1612.6832275390625	180.0
1613.138916015625	156.0
1618.9476318359375	140.0
1621.326904296875	224.0
1621.920654296875	216.0
1632.42919921875	140.0
1635.124267578125	184.0
1638.77197265625	160.0
1640.0614013671875	204.0
1641.109375	164.0
1647.9295654296875	172.0
1654.595458984375	184.0
1655.476318359375	144.0
1659.5440673828125	196.0
1662.05029296875	168.0
1670.2880859375	252.0
1683.7772216796875	192.0
1689.2208251953125	176.0
1692.2652587890625	148.0
1697.0582275390625	152.0
1697.6322021484375	172.0
1712.071044921875	144.0
1725.777099609375	188.0
1728.8790283203125	168.0
1729.73974609375	144.0
1737.6954345703125	156.0
1738.2928466796875	164.0
1762.1732177734375	164.0
1768.5369873046875	160.0
1773.4954833984375	216.0
1775.0045166015625	140.0
1781.6265869140625	260.0
1786.2080078125	196.0
1786.90625	196.0
1793.9383544921875	144.0
1794.056396484375	164.0
1797.5565185546875	144.0
1803.9923095703125	204.0
1804.753173828125	140.0
1805.9625244140625	160.0
1809.4742431640625	228.0
1814.752685546875	176.0
1815.5582275390625	256.0
1818.3323974609375	268.0
1823.8956298828125	140.0
1826.3529052734375	144.0
1829.5439453125	256.0
1831.5450439453125	236.0
1831.6131591796875	200.0
1841.6610107421875	148.0
1857.0501708984375	152.0
1858.45703125	160.0
1860.5855712890625	156.0
1862.6953125	192.0
1863.7117919921875	160.0
1870.43701171875	172.0
1870.94482421875	228.0
1872.6842041015625	156.0
1876.3033447265625	180.0
1883.1116943359375	140.0
1883.9217529296875	216.0
1884.16552734375	176.0
1886.213623046875	180.0
1895.447998046875	224.0
1895.8465576171875	192.0
1897.493408203125	160.0
1897.6668701171875	164.0
1898.5772705078125	148.0
1903.3934326171875	152.0
1906.685791015625	168.0
1909.8157958984375	156.0
1912.6610107421875	148.0
1919.1424560546875	148.0
1921.0611572265625	140.0
1925.44287109375	184.0
1925.8883056640625	152.0
1930.231689453125	144.0
1932.287109375	188.0
1932.724609375	192.0
1933.7747802734375	140.0
1944.0986328125	164.0
1944.748046875	204.0
1952.4970703125	200.0
1953.2535400390625	144.0
1957.8477783203125	184.0
1962.1478271484375	172.0
1967.17529296875	144.0
1970.5762939453125	160.0
1973.652099609375	144.0
1975.5802001953125	172.0
1979.03173828125	168.0
1979.403564453125	140.0
1983.567626953125	212.0
1987.52294921875	160.0
1993.5345458984375	140.0
1995.4901123046875	140.0
2001.1219482421875	140.0
2002.6268310546875	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078988
PEPMASS=286.11203
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=LETROZOLE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=N#Cc1ccc(cc1)C(c2ccc(C#N)cc2)n3cncn3
INCHI=InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
INCHIAUX=HPJKCIUCZWXJDR-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078988
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078988
SCANS=1257
45.462642669677734	152.0
45.75566482543945	164.0
46.209144592285156	184.0
48.169654846191406	152.0
48.56275939941406	188.0
49.04120635986328	188.0
49.90339660644531	164.0
50.82148361206055	188.0
51.6863899230957	156.0
52.3841438293457	176.0
52.663978576660156	156.0
52.7275505065918	212.0
53.067726135253906	164.0
53.477386474609375	164.0
53.99532699584961	164.0
54.31609344482422	140.0
55.196014404296875	112.0
55.494964599609375	164.0
55.55012130737305	140.0
55.8657112121582	140.0
56.63745880126953	164.0
57.60921096801758	204.0
58.08453369140625	200.0
58.2636604309082	172.0
58.42633056640625	212.0
58.63494110107422	152.0
58.73556900024414	148.0
59.17569351196289	156.0
60.128753662109375	204.0
60.52294921875	208.0
60.66083526611328	184.0
62.21146774291992	152.0
63.67998123168945	192.0
64.19083404541016	176.0
64.5213394165039	156.0
65.24598693847656	204.0
66.25788879394531	156.0
67.05573272705078	200.0
68.49928283691406	164.0
68.53553009033203	152.0
68.92823791503906	176.0
69.60074615478516	176.0
70.31156921386719	212.0
70.5958251953125	180.0
70.83992767333984	164.0
71.08639526367188	172.0
71.73223876953125	276.0
72.51821899414062	220.0
72.85250091552734	172.0
73.02247619628906	144.0
73.91127014160156	208.0
74.3310775756836	140.0
75.19325256347656	144.0
75.66238403320312	180.0
75.85918426513672	144.0
76.14183044433594	200.0
77.08272552490234	144.0
77.45011901855469	224.0
78.81353759765625	196.0
79.09649658203125	148.0
81.96121215820312	212.0
82.07476806640625	140.0
82.59488677978516	156.0
82.90629577636719	140.0
83.55451965332031	200.0
83.80394744873047	168.0
85.5032958984375	164.0
85.8422622680664	176.0
86.0150146484375	164.0
86.53701782226562	148.0
86.78900909423828	200.0
87.36660766601562	172.0
88.32917785644531	216.0
88.35162353515625	168.0
89.26881408691406	184.0
89.67733764648438	152.0
90.2000961303711	184.0
90.79480743408203	140.0
91.24662017822266	324.0
91.31127166748047	140.0
91.77210235595703	168.0
91.9838638305664	148.0
92.28133392333984	236.0
93.08665466308594	176.0
93.18269348144531	168.0
93.322998046875	208.0
93.69637298583984	140.0
95.14517211914062	128.0
95.37606811523438	164.0
95.92499542236328	168.0
96.21370697021484	188.0
96.48722076416016	148.0
96.5771713256836	200.0
96.77090454101562	144.0
96.87666320800781	192.0
97.04324340820312	144.0
99.22581481933594	144.0
99.30513763427734	148.0
99.32601165771484	160.0
99.51945495605469	156.0
100.41094970703125	300.0
102.37092590332031	172.0
102.54821014404297	176.0
102.75792694091797	184.0
103.002197265625	140.0
103.98014068603516	244.0
106.55510711669922	200.0
106.6619644165039	156.0
107.00345611572266	244.0
107.48369598388672	144.0
107.70459747314453	160.0
108.39351654052734	160.0
108.54276275634766	160.0
109.11373901367188	200.0
109.3821029663086	156.0
110.34798431396484	140.0
110.84194946289062	144.0
111.15648651123047	172.0
111.20265197753906	144.0
111.85002899169922	176.0
111.99531555175781	216.0
113.46184539794922	192.0
114.04410552978516	148.0
114.14339447021484	184.0
114.30293273925781	204.0
115.17488098144531	160.0
115.30521392822266	176.0
115.8979721069336	192.0
116.70932006835938	184.0
116.75232696533203	208.0
116.81684875488281	160.0
117.40269470214844	192.0
118.79560852050781	140.0
118.97355651855469	148.0
119.2428970336914	148.0
119.65401458740234	248.0
119.8282470703125	228.0
119.86528778076172	160.0
119.99824523925781	148.0
120.07893371582031	148.0
120.9529037475586	228.0
121.18065643310547	152.0
121.61046600341797	160.0
122.10040283203125	236.0
122.43051147460938	152.0
123.1539077758789	216.0
124.64485931396484	152.0
125.15422821044922	144.0
125.69781494140625	152.0
126.54747772216797	168.0
127.7638931274414	180.0
128.3990936279297	160.0
128.99742126464844	144.0
129.0471649169922	152.0
130.71658325195312	196.0
131.28152465820312	176.0
132.15867614746094	156.0
132.5181427001953	144.0
133.21556091308594	164.0
134.11065673828125	156.0
134.63438415527344	168.0
134.8677215576172	156.0
136.8651580810547	156.0
137.55990600585938	204.0
138.04354858398438	172.0
138.16282653808594	208.0
138.891357421875	196.0
139.0509033203125	152.0
139.38201904296875	180.0
140.04666137695312	268.0
140.13258361816406	140.0
140.6042022705078	252.0
143.27890014648438	240.0
144.00643920898438	200.0
145.0328826904297	152.0
145.96437072753906	144.0
146.76377868652344	144.0
147.391357421875	152.0
147.85565185546875	156.0
148.04205322265625	144.0
149.24075317382812	156.0
149.5594482421875	176.0
149.87359619140625	156.0
150.4662628173828	168.0
151.8463592529297	172.0
151.93466186523438	184.0
152.0475311279297	160.0
153.0560760498047	240.0
154.0345001220703	172.0
154.1011962890625	152.0
155.01174926757812	232.0
155.15798950195312	204.0
155.47547912597656	184.0
155.55491638183594	252.0
157.94456481933594	152.0
158.7108917236328	168.0
159.19517517089844	196.0
160.3221893310547	156.0
161.1397247314453	140.0
161.87071228027344	144.0
161.94415283203125	184.0
162.05055236816406	212.0
162.09107971191406	244.0
163.05441284179688	992.0
163.2740478515625	204.0
164.05581665039062	432.0
164.27561950683594	140.0
164.61959838867188	168.0
164.93896484375	140.0
164.97474670410156	160.0
165.0433807373047	184.0
165.5222625732422	196.0
165.97067260742188	164.0
166.06605529785156	288.0
166.1194305419922	156.0
166.19125366210938	196.0
167.49465942382812	172.0
168.06439208984375	152.0
168.201171875	148.0
169.4890899658203	152.0
170.90679931640625	140.0
171.2269744873047	172.0
171.29991149902344	152.0
172.00918579101562	180.0
172.2415771484375	156.0
172.72776794433594	176.0
173.56320190429688	192.0
174.03549194335938	164.0
174.77670288085938	172.0
175.4166717529297	168.0
176.0529022216797	144.0
176.74246215820312	172.0
176.79010009765625	144.0
177.05751037597656	3120.0
177.19305419921875	196.0
178.03074645996094	160.0
178.05918884277344	604.0
178.14230346679688	208.0
178.68994140625	144.0
179.09457397460938	248.0
179.45433044433594	176.0
179.58499145507812	156.0
180.51437377929688	180.0
181.41932678222656	144.0
182.00421142578125	240.0
182.13580322265625	196.0
182.7296142578125	192.0
183.45164489746094	156.0
183.51365661621094	176.0
183.85623168945312	152.0
183.99658203125	180.0
184.2693634033203	168.0
185.9129638671875	236.0
186.89935302734375	168.0
187.2341766357422	152.0
187.3404083251953	164.0
188.04945373535156	636.0
188.58468627929688	156.0
188.7487030029297	172.0
188.97572326660156	176.0
189.0561065673828	388.0
189.26608276367188	144.0
189.34423828125	148.0
189.42196655273438	408.0
189.44935607910156	152.0
189.73133850097656	156.0
189.7919464111328	224.0
189.88243103027344	144.0
189.97698974609375	120.0
190.06619262695312	98516.0
190.14283752441406	168.0
190.22702026367188	232.0
190.2710723876953	120.0
190.4481201171875	212.0
190.8254852294922	140.0
191.0367889404297	196.0
191.06887817382812	12856.0
191.130615234375	120.0
192.07101440429688	904.0
192.13624572753906	112.0
192.2311248779297	96.0
192.31338500976562	216.0
192.42294311523438	164.0
192.56759643554688	108.0
193.051025390625	440.0
194.05999755859375	344.0
194.34584045410156	144.0
194.44296264648438	160.0
194.76780700683594	196.0
195.99566650390625	152.0
196.22879028320312	140.0
196.72132873535156	172.0
197.29246520996094	156.0
199.95156860351562	164.0
201.10711669921875	140.0
202.0056610107422	192.0
202.05514526367188	512.0
202.15013122558594	188.0
203.0606689453125	396.0
203.26075744628906	180.0
203.97927856445312	148.0
204.2607879638672	172.0
204.46279907226562	144.0
204.70193481445312	156.0
206.17677307128906	152.0
206.29396057128906	164.0
206.55703735351562	148.0
206.61997985839844	140.0
207.06651306152344	144.0
207.4647979736328	168.0
208.07696533203125	3000.0
208.5325927734375	176.0
209.08258056640625	296.0
209.23158264160156	160.0
209.91732788085938	196.0
210.8122100830078	180.0
211.30953979492188	188.0
213.05467224121094	164.0
213.14779663085938	176.0
213.9010467529297	140.0
214.85104370117188	176.0
214.9978485107422	164.0
215.06057739257812	20608.0
215.23997497558594	184.0
215.37063598632812	140.0
215.6043701171875	168.0
216.06692504882812	8012.0
216.32388305664062	148.0
216.38987731933594	220.0
216.5352020263672	232.0
216.58482360839844	176.0
216.64698791503906	272.0
216.72593688964844	192.0
216.8041229248047	184.0
216.855712890625	240.0
216.96511840820312	148.0
217.008544921875	148.0
217.07748413085938	193936.0
217.26055908203125	132.0
217.29237365722656	184.0
217.33497619628906	192.0
217.3816680908203	164.0
217.4333038330078	168.0
217.52835083007812	216.0
217.55905151367188	1420.0
217.6184539794922	228.0
217.70449829101562	140.0
217.82835388183594	164.0
217.88931274414062	124.0
217.98553466796875	200.0
218.0443878173828	144.0
218.07972717285156	32064.0
218.15603637695312	160.0
218.26220703125	124.0
218.30331420898438	116.0
218.33897399902344	168.0
218.40838623046875	104.0
218.60023498535156	148.0
218.75881958007812	160.0
218.81576538085938	244.0
219.08267211914062	1712.0
219.15643310546875	116.0
219.2869110107422	128.0
219.38148498535156	152.0
219.40692138671875	156.0
219.47314453125	200.0
219.51907348632812	180.0
219.55271911621094	232.0
219.5979766845703	120.0
219.62615966796875	112.0
219.7017059326172	212.0
219.75352478027344	120.0
219.8255615234375	244.0
219.88824462890625	168.0
220.0752410888672	188.0
220.2141876220703	148.0
220.461181640625	104.0
220.62716674804688	108.0
220.93527221679688	168.0
221.04669189453125	128.0
221.08518981933594	180.0
223.14349365234375	124.0
227.8549346923828	156.0
229.0461883544922	156.0
229.21490478515625	168.0
230.8903045654297	160.0
233.07594299316406	140.0
233.36058044433594	284.0
234.0821533203125	156.0
235.0870819091797	2300.0
236.09181213378906	376.0
253.09913635253906	152.0
256.0842590332031	240.0
262.0780334472656	176.0
269.8810119628906	168.0
281.54962158203125	140.0
285.1172790527344	160.0
285.2754821777344	176.0
286.1086120605469	2248.0
287.11285400390625	412.0
347.94158935546875	140.0
732.3323974609375	152.0
1385.0804443359375	236.0
1487.9031982421875	148.0
1569.9368896484375	164.0
1603.2965087890625	184.0
1629.6951904296875	156.0
1686.4068603515625	144.0
1731.8251953125	148.0
1770.7628173828125	140.0
1867.5101318359375	192.0
1887.9317626953125	164.0
1888.4171142578125	184.0
1889.1004638671875	144.0
1889.515625	208.0
1952.9530029296875	196.0
1969.1173095703125	192.0
1970.3187255859375	204.0
1974.128173828125	140.0
1977.9857177734375	148.0
1990.91259765625	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078989
PEPMASS=204.141754
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=N-Ethyl-o-crotonotoluidide [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCN(C(=O)/C=C/C)c1ccccc1C
INCHI=InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+
INCHIAUX=DNTGGZPQPQTDQF-XBXARRHUSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078989
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078989
SCANS=1453
45.666099548339844	148.0
47.53628921508789	196.0
47.787742614746094	168.0
48.17100143432617	220.0
48.47261428833008	144.0
48.51557922363281	184.0
48.73069381713867	148.0
49.075870513916016	140.0
49.75151824951172	240.0
49.83168029785156	204.0
50.232906341552734	180.0
50.60600280761719	144.0
50.7519416809082	164.0
50.91513442993164	196.0
50.96647644042969	140.0
51.281551361083984	220.0
51.421974182128906	148.0
51.703521728515625	228.0
51.90837860107422	176.0
53.21567916870117	144.0
53.54431915283203	200.0
53.61570358276367	180.0
53.824310302734375	160.0
54.005523681640625	208.0
54.26457595825195	180.0
54.52454376220703	148.0
54.57158279418945	168.0
54.706932067871094	244.0
55.046043395996094	220.0
55.372215270996094	212.0
56.039608001708984	168.0
56.37858200073242	164.0
56.502689361572266	176.0
56.61644744873047	180.0
56.9569091796875	156.0
57.28914260864258	144.0
59.581214904785156	188.0
60.02381134033203	156.0
60.0793342590332	184.0
60.68559646606445	152.0
61.17030334472656	212.0
61.19676971435547	168.0
62.59505081176758	140.0
62.81727600097656	172.0
63.025672912597656	164.0
63.367431640625	148.0
63.757781982421875	152.0
63.90884780883789	144.0
63.93749237060547	160.0
64.04257202148438	152.0
64.06168365478516	204.0
66.40048217773438	144.0
66.99050903320312	192.0
67.09317779541016	172.0
68.24250030517578	216.0
69.59737396240234	192.0
69.98312377929688	140.0
70.41629791259766	184.0
70.50357055664062	232.0
70.9957504272461	152.0
71.40385437011719	196.0
71.71363830566406	156.0
71.8030014038086	140.0
71.8249282836914	216.0
71.87047576904297	140.0
72.40296173095703	160.0
72.58258819580078	208.0
73.19600677490234	192.0
73.3783187866211	148.0
73.4550552368164	144.0
73.47382354736328	160.0
73.635986328125	144.0
74.05844116210938	188.0
74.21952819824219	200.0
74.88114166259766	188.0
75.44192504882812	168.0
75.45921325683594	148.0
75.58374786376953	168.0
75.86259460449219	144.0
76.07423400878906	176.0
76.42007446289062	204.0
76.785888671875	176.0
77.10713195800781	144.0
77.20503234863281	176.0
77.43254089355469	148.0
77.5604476928711	152.0
77.73407745361328	180.0
77.80428314208984	208.0
77.82008361816406	172.0
77.93775939941406	160.0
78.25083923339844	160.0
79.03627014160156	212.0
79.12830352783203	160.0
79.852294921875	152.0
80.07654571533203	152.0
80.40816497802734	156.0
80.50814056396484	144.0
80.9874496459961	156.0
81.80445861816406	224.0
82.24789428710938	184.0
82.33636474609375	156.0
82.79572296142578	180.0
83.75652313232422	156.0
83.83668518066406	148.0
84.10661315917969	144.0
84.24356079101562	172.0
84.99971008300781	204.0
85.01622772216797	172.0
85.8329849243164	248.0
86.23358154296875	164.0
86.37040710449219	212.0
86.99858856201172	176.0
87.4614486694336	144.0
88.37537384033203	176.0
88.42827606201172	132.0
88.4863052368164	160.0
89.20294189453125	160.0
89.31388092041016	152.0
89.7998275756836	188.0
90.09051513671875	164.0
90.27815246582031	204.0
90.34761810302734	172.0
90.68277740478516	172.0
91.03944396972656	172.0
91.05538940429688	628.0
91.70149993896484	176.0
91.85213470458984	168.0
92.06016540527344	168.0
92.21491241455078	148.0
92.86396789550781	248.0
92.9406967163086	164.0
93.05672454833984	200.0
93.85626983642578	140.0
94.04681396484375	208.0
94.0607681274414	148.0
94.67366790771484	168.0
94.92170715332031	152.0
95.10407257080078	168.0
95.6483154296875	172.0
96.08094024658203	1120.0
96.1941146850586	208.0
96.85504150390625	152.0
97.06474304199219	200.0
97.08346557617188	196.0
97.51626586914062	212.0
97.75811767578125	136.0
98.06538391113281	176.0
98.9534912109375	220.0
98.98797607421875	192.0
99.35266876220703	144.0
99.50151062011719	176.0
99.59484100341797	172.0
99.92682647705078	212.0
100.46871948242188	200.0
101.47944641113281	168.0
101.70538330078125	156.0
101.75556945800781	172.0
101.78568267822266	192.0
102.64893341064453	228.0
103.71234130859375	176.0
104.0505599975586	208.0
104.85254669189453	176.0
104.88516235351562	188.0
105.07037353515625	440.0
105.68570709228516	172.0
105.7859878540039	196.0
106.04302215576172	156.0
106.06566619873047	5460.0
106.27580261230469	156.0
106.34967803955078	236.0
106.46464538574219	180.0
106.70079803466797	164.0
106.74823760986328	160.0
106.81781768798828	120.0
107.07278442382812	1960.0
107.14547729492188	164.0
108.08069610595703	1760.0
108.40103912353516	216.0
108.8163833618164	136.0
108.86016845703125	164.0
109.08248138427734	164.0
109.87590789794922	164.0
109.95310974121094	172.0
110.03243255615234	144.0
110.06126403808594	168.0
111.2172622680664	228.0
112.22071838378906	164.0
112.9485092163086	172.0
114.143310546875	168.0
114.57963562011719	156.0
115.06009674072266	168.0
115.68157958984375	156.0
115.89788818359375	160.0
116.04934692382812	924.0
116.39552307128906	180.0
117.01690673828125	184.0
117.05854797363281	412.0
117.10519409179688	144.0
118.06629180908203	364.0
118.95392608642578	160.0
119.036376953125	192.0
119.0733642578125	268.0
120.07955932617188	172.0
120.11155700683594	172.0
120.91560363769531	192.0
121.08905792236328	2064.0
121.77503967285156	160.0
121.96399688720703	144.0
122.09033966064453	184.0
122.2939224243164	188.0
122.5207290649414	244.0
122.70365142822266	148.0
123.22008514404297	192.0
123.90592956542969	160.0
124.0832290649414	152.0
124.6781005859375	204.0
125.55301666259766	176.0
126.58544921875	160.0
126.66918182373047	216.0
126.73104095458984	216.0
127.24689483642578	164.0
127.37265014648438	152.0
128.94960021972656	152.0
129.06980895996094	136.0
129.18954467773438	176.0
129.3253173828125	152.0
129.97117614746094	152.0
130.06434631347656	764.0
130.55270385742188	312.0
130.7233123779297	196.0
130.82801818847656	156.0
131.01475524902344	188.0
131.16583251953125	172.0
131.92529296875	152.0
131.950439453125	144.0
132.04010009765625	480.0
132.0789337158203	176.0
132.66929626464844	200.0
133.04544067382812	332.0
133.08206176757812	280.0
133.10421752929688	372.0
133.3374786376953	192.0
133.8134002685547	188.0
133.93545532226562	200.0
134.0601043701172	9692.0
134.09625244140625	4144.0
134.12802124023438	112.0
134.229248046875	108.0
135.01329040527344	184.0
135.06243896484375	640.0
135.09715270996094	304.0
135.3428192138672	344.0
135.9051055908203	156.0
136.11233520507812	14680.0
136.39512634277344	144.0
136.44253540039062	152.0
136.58462524414062	160.0
137.00946044921875	200.0
137.11529541015625	1356.0
138.11746215820312	112.0
138.34994506835938	156.0
138.9334716796875	224.0
142.0637664794922	368.0
142.44618225097656	188.0
143.07289123535156	924.0
143.65306091308594	176.0
143.77713012695312	172.0
144.0790557861328	232.0
144.27635192871094	160.0
144.56814575195312	148.0
145.0869598388672	196.0
145.19821166992188	148.0
146.06048583984375	248.0
146.09393310546875	220.0
146.5009765625	148.0
147.06927490234375	296.0
147.09898376464844	180.0
147.24147033691406	168.0
147.32359313964844	140.0
147.5531768798828	208.0
148.10899353027344	504.0
148.32540893554688	164.0
148.80816650390625	148.0
149.09722900390625	144.0
149.38656616210938	152.0
151.06488037109375	148.0
152.75503540039062	160.0
152.98635864257812	192.0
153.30654907226562	264.0
153.38677978515625	148.0
154.96685791015625	160.0
155.29922485351562	148.0
155.96713256835938	180.0
156.08013916015625	316.0
157.08566284179688	332.0
157.4370880126953	176.0
157.53948974609375	152.0
157.7333526611328	148.0
157.79190063476562	220.0
158.0395050048828	160.0
158.09571838378906	2920.0
158.5227813720703	148.0
158.80606079101562	140.0
159.0042724609375	156.0
159.0718536376953	168.0
159.10113525390625	552.0
160.07411193847656	216.0
160.53634643554688	236.0
160.66749572753906	176.0
160.83404541015625	152.0
161.08595275878906	168.0
162.06056213378906	140.0
162.09115600585938	6124.0
162.97032165527344	100.0
163.09619140625	240.0
163.51052856445312	192.0
165.0104217529297	148.0
166.72010803222656	192.0
167.113525390625	164.0
167.87855529785156	152.0
168.77198791503906	164.0
168.9556121826172	152.0
169.07464599609375	164.0
170.10362243652344	304.0
171.09811401367188	172.0
171.13050842285156	148.0
173.24070739746094	184.0
173.3848114013672	172.0
173.97235107421875	184.0
174.08982849121094	424.0
175.09962463378906	268.0
175.23997497558594	152.0
176.1088409423828	1648.0
176.14141845703125	1216.0
177.10964965820312	128.0
177.19773864746094	216.0
177.27987670898438	160.0
177.9111328125	156.0
178.98960876464844	164.0
179.8436737060547	180.0
179.9851531982422	152.0
180.98165893554688	128.0
182.43124389648438	228.0
183.35447692871094	184.0
183.46768188476562	160.0
183.48655700683594	236.0
183.90736389160156	156.0
184.48812866210938	192.0
184.9127960205078	148.0
184.9909210205078	148.0
186.13290405273438	812.0
187.1325225830078	156.0
188.10653686523438	384.0
188.264892578125	172.0
188.40145874023438	176.0
189.1124725341797	368.0
189.15072631835938	200.0
190.1190185546875	152.0
190.45042419433594	188.0
190.47239685058594	172.0
190.53009033203125	192.0
190.78016662597656	152.0
191.8455352783203	156.0
191.89515686035156	148.0
193.4228515625	152.0
193.46713256835938	180.0
193.6637420654297	208.0
194.1210174560547	164.0
194.193115234375	144.0
194.52053833007812	152.0
194.94268798828125	156.0
195.06776428222656	140.0
195.3736572265625	192.0
196.6163787841797	156.0
197.74266052246094	156.0
197.82943725585938	156.0
198.38690185546875	156.0
198.79359436035156	188.0
199.06588745117188	164.0
199.41986083984375	148.0
199.79666137695312	168.0
199.83323669433594	188.0
199.9964599609375	184.0
200.26675415039062	184.0
201.29611206054688	160.0
201.79623413085938	140.0
202.12716674804688	180.0
202.28565979003906	196.0
202.77120971679688	112.0
203.0166473388672	184.0
203.1336669921875	192.0
203.15846252441406	144.0
203.23622131347656	108.0
203.26292419433594	220.0
203.3107147216797	248.0
203.4876708984375	156.0
203.51321411132812	140.0
203.5359344482422	184.0
203.63156127929688	196.0
203.66510009765625	116.0
203.6946563720703	156.0
203.75393676757812	132.0
203.79263305664062	288.0
203.8731231689453	108.0
203.9210205078125	296.0
203.94154357910156	152.0
204.004638671875	140.0
204.03594970703125	220.0
204.07058715820312	552.0
204.09327697753906	428.0
204.14022827148438	177012.0
204.2368621826172	196.0
204.2869110107422	120.0
204.3211212158203	184.0
204.3558807373047	180.0
204.39894104003906	252.0
204.450927734375	116.0
204.48239135742188	132.0
204.49069213867188	228.0
204.55819702148438	232.0
204.57789611816406	208.0
204.6070098876953	4876.0
204.634765625	172.0
204.67626953125	228.0
204.7418975830078	192.0
204.8035888671875	128.0
204.83058166503906	228.0
204.87393188476562	100.0
205.02102661132812	144.0
205.14183044433594	40708.0
205.35145568847656	148.0
205.41357421875	196.0
205.4421844482422	104.0
205.47080993652344	120.0
205.9801483154297	136.0
206.0364532470703	172.0
206.14401245117188	3832.0
206.30352783203125	240.0
206.34384155273438	212.0
206.40359497070312	240.0
206.45082092285156	224.0
206.53025817871094	136.0
206.56907653808594	240.0
206.6024169921875	300.0
206.63790893554688	228.0
206.68014526367188	292.0
206.72691345214844	224.0
206.74844360351562	124.0
206.7822265625	168.0
206.82574462890625	96.0
206.90548706054688	108.0
207.1771240234375	140.0
207.4210205078125	112.0
207.72227478027344	108.0
207.75025939941406	124.0
213.0866241455078	160.0
217.8566436767578	124.0
228.10118103027344	164.0
250.07513427734375	132.0
264.2992858886719	152.0
316.0982971191406	152.0
473.51129150390625	140.0
589.0938110351562	152.0
1089.889404296875	180.0
1165.8232421875	172.0
1172.335693359375	180.0
1177.7459716796875	180.0
1246.1329345703125	220.0
1265.2811279296875	240.0
1352.7015380859375	156.0
1400.015380859375	156.0
1423.128662109375	168.0
1426.877685546875	176.0
1473.4276123046875	272.0
1515.18798828125	196.0
1538.39404296875	144.0
1585.3431396484375	260.0
1595.5179443359375	196.0
1603.375	152.0
1611.51416015625	264.0
1614.02392578125	212.0
1642.3812255859375	224.0
1653.7899169921875	180.0
1659.6064453125	192.0
1662.32373046875	192.0
1680.966552734375	164.0
1686.846923828125	140.0
1694.58056640625	160.0
1699.9676513671875	148.0
1707.320068359375	148.0
1714.9190673828125	164.0
1728.5869140625	172.0
1731.0784912109375	144.0
1732.10546875	144.0
1747.9627685546875	160.0
1749.6689453125	164.0
1751.142822265625	204.0
1759.56494140625	180.0
1767.1285400390625	160.0
1775.1109619140625	172.0
1787.568359375	148.0
1795.0992431640625	188.0
1800.103271484375	156.0
1824.1734619140625	232.0
1840.949462890625	172.0
1846.743896484375	196.0
1852.033447265625	180.0
1866.59716796875	144.0
1868.7991943359375	156.0
1872.5609130859375	152.0
1880.121826171875	168.0
1891.3228759765625	204.0
1897.932861328125	176.0
1898.93017578125	168.0
1904.2764892578125	176.0
1904.4415283203125	248.0
1913.8682861328125	220.0
1919.6541748046875	152.0
1919.9593505859375	188.0
1925.14306640625	160.0
1931.4620361328125	148.0
1931.6982421875	184.0
1939.6842041015625	144.0
1947.3177490234375	152.0
1950.85009765625	176.0
1964.6583251953125	140.0
1968.9569091796875	168.0
1975.6922607421875	216.0
1975.9842529296875	200.0
1977.4266357421875	148.0
1984.4512939453125	208.0
2001.1011962890625	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078990
PEPMASS=326.158051
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=MECILLINAM [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC1(C)S[C@@H]2[C@H](N=CN3CCCCCC3)C(=O)N2[C@H]1C(=O)O
INCHI=InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/t10-,11+,13-/m1/s1
INCHIAUX=BWWVAEOLVKTZFQ-NTZNESFSSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078990
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078990
SCANS=1112
58.92040252685547	168.0
65.39893341064453	216.0
73.03793334960938	156.0
85.02013397216797	168.0
88.28821563720703	144.0
91.29434204101562	200.0
96.95915222167969	140.0
98.09698486328125	188.0
100.00869750976562	360.0
100.11463928222656	188.0
101.01678466796875	188.0
101.94868469238281	180.0
105.1485595703125	156.0
110.09746551513672	140.0
112.0229263305664	160.0
112.11263275146484	168.0
113.07211303710938	156.0
114.03807830810547	436.0
115.04059600830078	168.0
116.03185272216797	316.0
117.32962036132812	152.0
120.71878814697266	144.0
122.09625244140625	152.0
126.03777313232422	140.0
126.08978271484375	752.0
127.0946273803711	172.0
132.4842529296875	228.0
134.4153594970703	220.0
139.12330627441406	428.0
140.13287353515625	140.0
143.1077117919922	140.0
149.10980224609375	160.0
153.04954528808594	432.0
154.05210876464844	196.0
160.0430450439453	2216.0
161.04660034179688	840.0
162.0339813232422	328.0
162.121826171875	144.0
163.71974182128906	148.0
166.02999877929688	152.0
167.1188201904297	2568.0
168.11907958984375	448.0
169.12164306640625	164.0
175.00079345703125	160.0
180.17262268066406	148.0
181.05015563964844	316.0
183.0182647705078	164.0
183.05731201171875	136.0
187.5260772705078	144.0
187.85055541992188	156.0
191.1798553466797	168.0
198.70155334472656	184.0
199.05323791503906	868.0
200.40817260742188	180.0
201.03631591796875	104.0
202.0428466796875	184.0
227.04959106445312	148.0
229.0291748046875	124.0
229.61630249023438	156.0
233.1523895263672	148.0
233.520263671875	184.0
237.60128784179688	188.0
238.12156677246094	260.0
239.12681579589844	288.0
239.5230255126953	140.0
240.07118225097656	168.0
254.86322021484375	168.0
265.0998229980469	144.0
267.28521728515625	172.0
269.1235656738281	144.0
270.6341247558594	164.0
274.24774169921875	196.0
274.58734130859375	204.0
277.4442443847656	172.0
280.15264892578125	180.0
283.0047912597656	176.0
283.11865234375	144.0
296.2853698730469	192.0
300.14166259765625	180.0
301.04864501953125	124.0
301.13897705078125	156.0
301.90277099609375	156.0
308.127685546875	176.0
313.66229248046875	152.0
322.8581848144531	208.0
323.2087707519531	360.0
324.2180480957031	656.0
324.2830810546875	176.0
325.1663818359375	144.0
326.0917663574219	136.0
326.099853515625	128.0
326.1544494628906	37280.0
326.2940979003906	176.0
326.6009521484375	168.0
326.6279296875	144.0
326.8001403808594	120.0
327.1587219238281	3932.0
327.2124328613281	184.0
327.7113037109375	184.0
328.0880126953125	232.0
328.1528015136719	2500.0
329.1411437988281	192.0
329.2407531738281	140.0
329.3989562988281	140.0
329.49664306640625	128.0
329.5243225097656	112.0
337.23065185546875	284.0
337.3067932128906	148.0
338.2205810546875	132.0
689.7957153320312	140.0
1091.87109375	192.0
1772.2408447265625	164.0
1899.4471435546875	248.0
1903.4046630859375	172.0
1973.0181884765625	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078991
PEPMASS=358.961151
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TRICLABENDAZOLE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1
INCHI=InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)
INCHIAUX=NQPDXQQQCQDHHW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078991
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078991
SCANS=2289
81.11317443847656	160.0
88.34626770019531	160.0
91.59323120117188	156.0
101.99298095703125	176.0
131.29786682128906	188.0
134.085693359375	188.0
154.7347869873047	184.0
156.7765655517578	200.0
163.03280639648438	148.0
165.02041625976562	304.0
166.02244567871094	152.0
167.01637268066406	288.0
167.90753173828125	144.0
168.2429656982422	144.0
170.97755432128906	188.0
173.0763397216797	188.0
176.25909423828125	180.0
196.9970245361328	168.0
198.00384521484375	116.0
198.97064208984375	452.0
199.35032653808594	184.0
212.9799041748047	164.0
214.00355529785156	196.0
229.98956298828125	264.0
231.987060546875	152.0
242.0302276611328	176.0
244.01622009277344	140.0
250.9844207763672	152.0
251.99600219726562	148.0
252.9857940673828	128.0
254.14266967773438	164.0
273.9981994628906	1396.0
275.0073547363281	300.0
275.99554443359375	424.0
276.9979553222656	576.0
280.7795104980469	144.0
280.9729919433594	224.0
288.9184265136719	156.0
292.008544921875	140.0
302.3250732421875	140.0
307.9627380371094	308.0
308.9664001464844	500.0
310.9612731933594	224.0
312.9579772949219	144.0
313.9588317871094	104.0
336.92340087890625	152.0
343.93524169921875	1956.0
344.9399108886719	408.0
345.9327697753906	1680.0
346.9404296875	288.0
352.4604797363281	144.0
358.2290954589844	112.0
358.886474609375	148.0
358.958740234375	6016.0
359.85614013671875	152.0
359.9626159667969	1052.0
360.9561767578125	4544.0
361.1258239746094	144.0
361.1598815917969	228.0
361.24810791015625	148.0
361.9594421386719	856.0
362.2330322265625	136.0
362.94073486328125	128.0
362.99285888671875	152.0
365.4542236328125	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078992
PEPMASS=406.215546
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Nifekalant hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cn1c(NCCN(CCO)CCCc2ccc(cc2)[N+](=O)[O-])cc(=O)n(C)c1=O
INCHI=InChI=1S/C19H27N5O5/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29/h5-8,14,20,25H,3-4,9-13H2,1-2H3
INCHIAUX=OEBPANQZQGQPHF-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078992
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078992
SCANS=1035
45.0997200012207	200.0
45.828426361083984	176.0
45.94352722167969	204.0
46.4503173828125	140.0
47.820838928222656	164.0
48.0482063293457	140.0
48.24569320678711	140.0
48.551700592041016	180.0
48.597476959228516	156.0
50.030052185058594	184.0
50.20899963378906	188.0
51.168312072753906	168.0
51.670684814453125	240.0
52.42884826660156	140.0
52.596153259277344	180.0
53.003990173339844	176.0
53.89303970336914	248.0
54.223758697509766	148.0
55.100772857666016	208.0
55.28708267211914	148.0
55.75274658203125	260.0
55.9118766784668	172.0
56.754390716552734	172.0
57.3421745300293	140.0
57.75587844848633	156.0
58.98756408691406	180.0
59.04107666015625	200.0
59.10073471069336	184.0
59.15889358520508	152.0
59.511512756347656	140.0
59.59291458129883	156.0
59.865177154541016	184.0
60.73841094970703	148.0
61.17039108276367	144.0
61.546119689941406	172.0
61.564857482910156	164.0
62.96257781982422	148.0
63.0305061340332	164.0
63.734039306640625	192.0
64.19087982177734	148.0
65.16728210449219	164.0
65.38436126708984	168.0
66.10572814941406	144.0
66.4751968383789	200.0
67.56687927246094	220.0
69.60910034179688	156.0
70.48194885253906	176.0
70.80982971191406	148.0
70.90867614746094	144.0
71.12672424316406	176.0
71.8031005859375	172.0
72.08333587646484	168.0
72.5453872680664	220.0
72.65222930908203	180.0
73.0784683227539	172.0
73.23868560791016	184.0
73.71296691894531	144.0
74.45301055908203	220.0
75.10186004638672	200.0
75.97715759277344	148.0
76.462890625	140.0
76.49327850341797	156.0
76.93780517578125	164.0
77.19115447998047	164.0
78.93202209472656	184.0
79.35697174072266	148.0
80.30657958984375	172.0
80.61007690429688	160.0
80.86223602294922	148.0
81.37407684326172	164.0
81.93244171142578	144.0
82.0045166015625	160.0
82.3960952758789	180.0
84.08118438720703	156.0
84.68817901611328	144.0
85.78885650634766	196.0
86.25958251953125	172.0
86.3316879272461	164.0
86.58045196533203	180.0
87.23463439941406	148.0
87.74099731445312	176.0
87.93268585205078	128.0
88.07444763183594	320.0
88.913818359375	212.0
89.18427276611328	152.0
89.92259216308594	192.0
90.54838562011719	144.0
90.63742065429688	176.0
90.7132339477539	140.0
91.05887603759766	172.0
91.32465362548828	184.0
91.81983947753906	152.0
91.89041900634766	160.0
92.57471466064453	200.0
93.33651733398438	140.0
93.47501373291016	148.0
93.86605072021484	168.0
94.04739379882812	164.0
94.14971923828125	144.0
94.66218566894531	284.0
94.98002624511719	244.0
95.2245864868164	152.0
95.53948211669922	152.0
95.82372283935547	164.0
96.03034973144531	168.0
96.08392333984375	144.0
96.84538269042969	264.0
97.22966003417969	172.0
97.9394302368164	140.0
98.63397979736328	148.0
98.75855255126953	212.0
99.09507751464844	212.0
99.16443634033203	160.0
99.25166320800781	172.0
99.382568359375	148.0
99.44805908203125	184.0
99.54930877685547	192.0
99.59896087646484	176.0
100.07426452636719	468.0
100.26747131347656	168.0
101.06224060058594	152.0
101.76776123046875	140.0
101.93246459960938	188.0
101.98271179199219	160.0
102.09191131591797	10844.0
102.26026916503906	144.0
102.88352966308594	192.0
103.02449035644531	176.0
103.05075073242188	152.0
103.09610748291016	1376.0
103.8767318725586	148.0
103.90919494628906	180.0
106.04150390625	2008.0
106.67231750488281	196.0
107.0437240600586	264.0
107.0838394165039	172.0
107.1106185913086	176.0
110.03050231933594	144.0
110.45890045166016	212.0
110.49028015136719	180.0
110.90071105957031	236.0
112.03265380859375	180.0
113.14202880859375	260.0
113.23307800292969	172.0
114.09031677246094	164.0
114.91452026367188	156.0
115.12583923339844	180.0
115.19632720947266	140.0
115.70315551757812	152.0
116.06100463867188	184.0
116.5159683227539	232.0
117.07029724121094	576.0
117.22169494628906	148.0
117.61943817138672	152.0
117.90362548828125	160.0
118.07823944091797	1532.0
118.47052001953125	140.0
119.07835388183594	212.0
119.59532928466797	172.0
120.09428405761719	152.0
121.25743865966797	144.0
121.61273956298828	164.0
123.53418731689453	152.0
123.71786499023438	152.0
124.07231903076172	168.0
124.53831481933594	160.0
124.62272644042969	168.0
125.01408386230469	176.0
125.04301452636719	176.0
125.0729751586914	516.0
125.4784927368164	164.0
125.83881378173828	160.0
126.03759765625	180.0
126.095703125	188.0
126.9576187133789	140.0
127.0995864868164	280.0
129.10604858398438	176.0
130.00767517089844	140.0
130.45057678222656	184.0
130.50286865234375	152.0
131.3363494873047	248.0
131.4298858642578	156.0
131.88204956054688	148.0
132.48387145996094	160.0
133.06536865234375	180.0
134.06251525878906	172.0
134.237548828125	248.0
134.98341369628906	212.0
135.35435485839844	172.0
135.96099853515625	156.0
136.04006958007812	16188.0
136.06875610351562	268.0
137.0441131591797	1884.0
137.21707153320312	228.0
137.3593292236328	160.0
137.4176483154297	164.0
137.91738891601562	176.0
138.0411376953125	176.0
138.45082092285156	164.0
138.72496032714844	224.0
139.04054260253906	156.0
139.79925537109375	212.0
139.94190979003906	144.0
141.0661163330078	280.0
141.39993286132812	304.0
141.7393798828125	172.0
142.85287475585938	168.0
143.28810119628906	136.0
143.5769500732422	244.0
143.8059844970703	144.0
144.08058166503906	224.0
144.09970092773438	156.0
144.31002807617188	180.0
144.74310302734375	144.0
144.8053741455078	172.0
144.82691955566406	164.0
145.05599975585938	172.0
145.3207550048828	180.0
146.1066436767578	216.0
146.1400604248047	148.0
146.18336486816406	168.0
146.29408264160156	192.0
146.95201110839844	204.0
147.06849670410156	1616.0
147.8823699951172	152.0
147.9646759033203	156.0
148.03819274902344	120.0
148.0736846923828	324.0
148.1099090576172	312.0
148.44683837890625	176.0
149.11138916015625	152.0
149.46707153320312	204.0
150.17111206054688	208.0
150.83279418945312	168.0
151.0186309814453	180.0
151.05776977539062	164.0
151.31472778320312	180.0
151.68463134765625	172.0
152.08200073242188	160.0
152.10899353027344	160.0
152.54132080078125	176.0
152.67575073242188	216.0
153.3264923095703	140.0
153.82191467285156	148.0
154.0763702392578	304.0
154.10130310058594	188.0
154.6886749267578	212.0
155.16305541992188	168.0
156.07186889648438	144.0
156.09912109375	176.0
156.53707885742188	144.0
156.83604431152344	196.0
156.9781494140625	148.0
157.95968627929688	228.0
158.03472900390625	208.0
158.0972900390625	164.0
158.2524871826172	140.0
159.10992431640625	196.0
159.27748107910156	204.0
159.704833984375	172.0
160.1100616455078	160.0
161.13731384277344	180.0
161.24343872070312	144.0
161.86575317382812	140.0
162.40809631347656	160.0
164.06956481933594	3960.0
164.15528869628906	140.0
164.1884307861328	176.0
165.07191467285156	292.0
166.08363342285156	168.0
166.26065063476562	156.0
166.47116088867188	152.0
166.555908203125	180.0
167.05459594726562	164.0
167.1034698486328	176.0
167.2295684814453	156.0
168.56027221679688	196.0
170.09686279296875	596.0
170.4986572265625	172.0
170.7664337158203	168.0
171.61618041992188	184.0
174.12945556640625	332.0
175.0869598388672	196.0
175.1374969482422	144.0
175.69369506835938	200.0
176.6208953857422	180.0
177.06553649902344	196.0
177.12380981445312	156.0
177.31723022460938	184.0
177.70968627929688	228.0
178.19821166992188	140.0
178.36032104492188	184.0
178.7113494873047	148.0
179.0713653564453	132.0
179.26254272460938	168.0
179.51654052734375	112.0
179.6006317138672	172.0
180.40220642089844	172.0
181.2854461669922	140.0
182.0928192138672	10184.0
182.18215942382812	160.0
183.0961456298828	992.0
184.09642028808594	144.0
185.10255432128906	156.0
186.43177795410156	152.0
187.13356018066406	156.0
187.3296356201172	152.0
188.65042114257812	156.0
190.0087432861328	148.0
190.12222290039062	280.0
190.1898651123047	180.0
190.39027404785156	156.0
190.7337188720703	228.0
191.08636474609375	136.0
191.13108825683594	220.0
191.21229553222656	148.0
192.24574279785156	144.0
192.4058380126953	172.0
193.11021423339844	132.0
193.98544311523438	140.0
194.1172332763672	232.0
194.28216552734375	292.0
194.53192138671875	164.0
194.62908935546875	148.0
196.15365600585938	212.0
197.41282653808594	240.0
197.83251953125	216.0
197.88011169433594	204.0
198.07054138183594	212.0
198.24949645996094	160.0
199.15603637695312	176.0
199.57757568359375	216.0
200.5459747314453	148.0
200.7929229736328	148.0
200.9718017578125	152.0
201.63841247558594	180.0
202.946044921875	168.0
203.12063598632812	128.0
204.42025756835938	160.0
204.46295166015625	160.0
205.09634399414062	276.0
205.1450653076172	4156.0
205.27484130859375	184.0
205.3575439453125	160.0
205.8942413330078	160.0
205.97691345214844	140.0
206.09690856933594	176.0
206.1495819091797	896.0
207.1137237548828	6408.0
207.15292358398438	340.0
207.49647521972656	180.0
207.79188537597656	236.0
208.11451721191406	1396.0
208.15640258789062	148.0
209.1141815185547	160.0
210.73712158203125	104.0
211.12222290039062	104.0
212.10606384277344	192.0
212.59910583496094	176.0
213.95068359375	168.0
214.0817108154297	144.0
214.27685546875	140.0
215.35618591308594	160.0
215.44161987304688	128.0
216.12501525878906	264.0
216.2040252685547	232.0
216.98904418945312	152.0
217.13197326660156	172.0
217.53762817382812	204.0
218.1434783935547	148.0
218.9901885986328	196.0
219.32608032226562	144.0
219.47348022460938	172.0
220.13059997558594	132.0
220.17874145507812	160.0
220.47122192382812	156.0
221.1095428466797	128.0
221.13418579101562	560.0
221.54823303222656	148.0
221.76454162597656	148.0
222.0953369140625	192.0
222.1416778564453	148.0
222.88037109375	212.0
223.10423278808594	532.0
224.11517333984375	236.0
224.2462921142578	212.0
224.38937377929688	152.0
224.83680725097656	164.0
225.01589965820312	168.0
225.12576293945312	156.0
225.29364013671875	148.0
227.17662048339844	168.0
228.7241668701172	148.0
228.7572784423828	152.0
229.9508819580078	180.0
230.2044677734375	144.0
233.12713623046875	916.0
233.55947875976562	188.0
233.9337615966797	216.0
234.1312255859375	464.0
234.87533569335938	144.0
234.95770263671875	144.0
235.10850524902344	676.0
236.13983154296875	156.0
236.2866668701172	212.0
236.6692352294922	144.0
237.05825805664062	180.0
237.13673400878906	6500.0
237.30047607421875	160.0
238.0102996826172	184.0
238.13931274414062	736.0
239.2358856201172	148.0
239.82730102539062	148.0
240.13870239257812	260.0
241.0772247314453	156.0
241.7049560546875	152.0
241.757568359375	156.0
242.15383911132812	176.0
243.2111053466797	160.0
243.38864135742188	196.0
244.7001495361328	152.0
244.87452697753906	168.0
247.10333251953125	256.0
247.30360412597656	144.0
247.6104278564453	244.0
247.87669372558594	192.0
248.13961791992188	280.0
248.52577209472656	176.0
248.79254150390625	172.0
248.85533142089844	176.0
248.91497802734375	152.0
249.12689208984375	980.0
249.53823852539062	272.0
249.7069091796875	152.0
249.75094604492188	148.0
249.96661376953125	116.0
250.0911865234375	204.0
250.15560913085938	10304.0
250.26248168945312	196.0
250.30702209472656	132.0
250.37411499023438	152.0
250.42022705078125	140.0
250.47897338867188	244.0
250.5455780029297	184.0
250.56881713867188	272.0
250.6023406982422	332.0
250.62774658203125	132.0
250.68077087402344	220.0
250.72679138183594	156.0
250.76605224609375	128.0
250.82708740234375	148.0
250.94357299804688	104.0
250.99656677246094	204.0
251.03359985351562	192.0
251.09104919433594	280.0
251.14060974121094	216480.0
251.2146453857422	144.0
251.3031005859375	160.0
251.35133361816406	140.0
251.3820037841797	184.0
251.43951416015625	148.0
251.4744110107422	132.0
251.6087646484375	104.0
251.65737915039062	284.0
251.7234649658203	116.0
251.83787536621094	176.0
251.91204833984375	120.0
251.96151733398438	104.0
251.99053955078125	216.0
252.0212860107422	184.0
252.14273071289062	29052.0
252.29666137695312	248.0
252.34877014160156	168.0
252.58580017089844	140.0
252.6435546875	152.0
252.7586212158203	164.0
253.09658813476562	112.0
253.14463806152344	2344.0
253.2616424560547	124.0
253.37428283691406	132.0
253.5385284423828	104.0
253.67532348632812	176.0
253.70477294921875	180.0
253.73443603515625	104.0
253.7551727294922	144.0
253.97366333007812	120.0
254.0460205078125	152.0
254.0809326171875	128.0
254.11329650878906	100.0
254.1504364013672	180.0
254.20994567871094	128.0
254.97409057617188	176.0
255.1075897216797	148.0
255.14950561523438	500.0
257.0843200683594	184.0
257.4739685058594	128.0
257.8321533203125	180.0
258.70599365234375	140.0
260.83917236328125	248.0
261.7657470703125	144.0
262.0331115722656	164.0
264.3352355957031	148.0
266.15106201171875	796.0
266.5716857910156	120.0
266.7872314453125	152.0
267.14825439453125	104.0
269.9433288574219	152.0
271.17962646484375	172.0
271.5086669921875	144.0
272.1912536621094	176.0
275.6631774902344	168.0
276.13592529296875	156.0
276.6885070800781	204.0
277.0229797363281	188.0
277.12237548828125	160.0
277.21185302734375	160.0
278.1935729980469	224.0
278.2433776855469	176.0
280.7822570800781	172.0
281.66339111328125	168.0
282.8069152832031	164.0
283.27191162109375	156.0
284.3956298828125	164.0
285.1009216308594	184.0
286.35577392578125	236.0
286.975830078125	184.0
290.34716796875	168.0
290.536376953125	168.0
293.4756164550781	268.0
293.6222229003906	160.0
294.1408386230469	172.0
295.0392761230469	144.0
299.2867431640625	172.0
299.79998779296875	144.0
300.1136779785156	144.0
300.45855712890625	180.0
300.9279479980469	152.0
302.006103515625	144.0
302.0787353515625	188.0
302.69134521484375	172.0
303.1763000488281	148.0
303.72064208984375	152.0
304.64398193359375	164.0
305.1061706542969	148.0
307.5550231933594	272.0
309.3622131347656	156.0
310.39227294921875	204.0
310.41680908203125	200.0
313.263671875	144.0
314.5366516113281	188.0
316.7147521972656	200.0
317.959228515625	172.0
318.1463928222656	312.0
319.14569091796875	292.0
320.2054138183594	124.0
320.40557861328125	164.0
320.89385986328125	152.0
322.99725341796875	160.0
323.1117248535156	164.0
323.2619934082031	184.0
323.28704833984375	144.0
324.0389709472656	140.0
324.6842041015625	156.0
324.759521484375	172.0
325.88311767578125	148.0
330.1148376464844	144.0
331.16796875	140.0
331.26214599609375	140.0
331.5085144042969	152.0
331.8492431640625	160.0
332.0885925292969	140.0
332.5239562988281	196.0
334.00274658203125	172.0
334.13006591796875	212.0
334.2901611328125	148.0
334.468505859375	184.0
336.5866394042969	156.0
336.9043884277344	184.0
339.3234558105469	176.0
340.6702880859375	144.0
341.6781311035156	132.0
343.619140625	148.0
344.38616943359375	168.0
344.59381103515625	168.0
346.11767578125	156.0
346.2732238769531	140.0
346.6362609863281	260.0
346.80303955078125	156.0
347.1700744628906	156.0
347.9529724121094	200.0
348.5546875	156.0
348.6215515136719	148.0
348.9263610839844	176.0
349.18597412109375	156.0
349.9941711425781	188.0
350.0276794433594	176.0
350.1715087890625	160.0
350.48583984375	164.0
350.5789794921875	168.0
352.063720703125	160.0
352.1085510253906	148.0
353.0802307128906	156.0
355.3877258300781	160.0
355.93572998046875	144.0
357.849853515625	104.0
358.380615234375	268.0
358.802734375	168.0
358.8743591308594	140.0
359.1094665527344	176.0
360.0101623535156	140.0
361.2196044921875	264.0
361.7304382324219	140.0
363.64837646484375	180.0
363.8153991699219	144.0
364.0338439941406	160.0
364.38885498046875	140.0
364.48004150390625	140.0
364.95135498046875	172.0
365.0426025390625	176.0
365.80352783203125	164.0
366.23760986328125	152.0
366.5309753417969	160.0
367.1294250488281	156.0
367.66253662109375	124.0
367.7970886230469	196.0
368.49212646484375	144.0
369.46319580078125	224.0
369.5201110839844	164.0
370.3359375	140.0
370.5006408691406	148.0
370.8531799316406	192.0
371.8619079589844	152.0
372.157470703125	140.0
372.4263000488281	184.0
372.6836853027344	220.0
374.3761901855469	144.0
374.71514892578125	180.0
375.1660461425781	148.0
376.1285400390625	140.0
376.6446838378906	152.0
379.2247314453125	176.0
379.337158203125	164.0
382.1799621582031	168.0
382.3122863769531	152.0
382.46405029296875	140.0
382.5847473144531	196.0
382.7755126953125	180.0
383.2974853515625	140.0
383.3744201660156	172.0
383.7379150390625	144.0
383.7807922363281	144.0
384.3775939941406	180.0
385.15838623046875	120.0
387.0590515136719	160.0
387.4429016113281	180.0
387.57611083984375	168.0
387.8896179199219	156.0
388.1091613769531	152.0
388.2034606933594	604.0
388.5602111816406	200.0
388.8858947753906	156.0
389.2080993652344	108.0
390.6991882324219	128.0
392.8364562988281	236.0
393.66925048828125	156.0
394.0207824707031	152.0
394.76385498046875	140.0
394.88427734375	128.0
395.06488037109375	112.0
395.7135009765625	152.0
395.8520812988281	176.0
398.0233154296875	152.0
398.10845947265625	160.0
398.1918640136719	164.0
398.5811767578125	192.0
399.1773986816406	224.0
399.5314025878906	216.0
399.8974609375	180.0
400.5106506347656	140.0
400.68756103515625	192.0
400.7855224609375	188.0
401.15679931640625	128.0
401.6192932128906	136.0
402.075439453125	160.0
402.33270263671875	172.0
402.3881530761719	132.0
402.5871887207031	240.0
402.7264099121094	120.0
402.9639892578125	168.0
403.1947937011719	116.0
403.3016052246094	140.0
403.5199890136719	120.0
403.59228515625	140.0
403.77545166015625	140.0
403.8785400390625	136.0
403.92742919921875	280.0
403.9565124511719	104.0
404.0350341796875	308.0
404.0832824707031	96.0
404.2003479003906	156.0
404.239501953125	152.0
404.2867126464844	172.0
404.4093322753906	236.0
404.5559387207031	104.0
404.5906677246094	108.0
404.6438293457031	140.0
404.70111083984375	160.0
404.7866516113281	276.0
404.8333740234375	196.0
404.91729736328125	208.0
405.0261535644531	152.0
405.1093444824219	164.0
405.1956481933594	284.0
405.247802734375	176.0
405.31622314453125	192.0
405.35784912109375	108.0
405.39532470703125	268.0
405.43170166015625	176.0
405.46282958984375	392.0
405.52728271484375	96.0
405.56903076171875	172.0
405.5877380371094	196.0
405.6315612792969	264.0
405.7455139160156	180.0
405.8008117675781	284.0
405.8470153808594	632.0
405.91119384765625	352.0
405.9417419433594	140.0
406.0148010253906	180.0
406.0326232910156	128.0
406.0498962402344	356.0
406.07891845703125	340.0
406.1577453613281	516.0
406.2119140625	220976.0
406.3180847167969	156.0
406.41796875	216.0
406.5037841796875	220.0
406.5804443359375	520.0
406.62762451171875	268.0
406.6573181152344	304.0
406.7148132324219	280.0
406.812255859375	324.0
406.872802734375	7096.0
406.9636535644531	232.0
407.0259704589844	308.0
407.07330322265625	156.0
407.21337890625	111276.0
407.35015869140625	316.0
407.44891357421875	236.0
407.5658264160156	160.0
407.6085205078125	192.0
407.6596984863281	140.0
407.6979675292969	164.0
407.8045959472656	160.0
407.87689208984375	508.0
407.9388122558594	136.0
408.0048828125	188.0
408.0788879394531	180.0
408.1246643066406	204.0
408.21337890625	16256.0
408.39727783203125	136.0
408.54473876953125	172.0
408.5823669433594	144.0
409.11895751953125	240.0
409.2181091308594	1748.0
409.3172302246094	604.0
409.34661865234375	164.0
409.4513244628906	356.0
409.5111999511719	296.0
409.58538818359375	380.0
409.6484680175781	260.0
409.6791076660156	240.0
409.74053955078125	276.0
409.78021240234375	400.0
409.8659362792969	292.0
409.9331359863281	228.0
409.97064208984375	156.0
410.11126708984375	272.0
410.1674499511719	192.0
410.2125244140625	108.0
410.32354736328125	160.0
410.37005615234375	108.0
410.5274353027344	152.0
410.668701171875	124.0
410.7359924316406	144.0
410.78253173828125	112.0
410.9501037597656	160.0
410.9843444824219	156.0
411.04107666015625	124.0
411.71673583984375	164.0
411.7748718261719	112.0
411.9899597167969	100.0
412.4482421875	120.0
413.76116943359375	124.0
420.32684326171875	148.0
421.7398681640625	108.0
436.1708984375	148.0
451.1405944824219	156.0
622.490478515625	144.0
647.4488525390625	108.0
697.011474609375	184.0
714.655517578125	96.0
721.8731079101562	164.0
789.4837646484375	104.0
807.9463500976562	144.0
996.57958984375	152.0
1078.200439453125	184.0
1438.2396240234375	140.0
1464.458984375	204.0
1473.7811279296875	144.0
1479.501953125	164.0
1482.4354248046875	220.0
1512.7197265625	228.0
1525.239501953125	228.0
1552.5738525390625	156.0
1608.689453125	212.0
1612.2596435546875	188.0
1620.685791015625	152.0
1627.8568115234375	156.0
1652.772705078125	160.0
1655.85693359375	148.0
1671.39453125	164.0
1677.9674072265625	180.0
1689.998046875	152.0
1691.381103515625	144.0
1725.71923828125	168.0
1738.2098388671875	148.0
1779.6278076171875	144.0
1786.191162109375	184.0
1786.9820556640625	148.0
1790.1552734375	172.0
1811.5322265625	276.0
1827.4248046875	160.0
1833.1126708984375	144.0
1834.9366455078125	180.0
1837.734130859375	244.0
1842.985107421875	152.0
1859.28076171875	144.0
1860.46533203125	140.0
1863.2305908203125	164.0
1867.597412109375	156.0
1869.9462890625	176.0
1870.970703125	160.0
1895.7772216796875	160.0
1895.94189453125	140.0
1898.967529296875	180.0
1903.7320556640625	144.0
1905.8255615234375	200.0
1906.025390625	156.0
1912.7567138671875	140.0
1914.1011962890625	176.0
1917.64306640625	148.0
1924.9974365234375	148.0
1931.699951171875	172.0
1934.010986328125	148.0
1936.7515869140625	264.0
1956.289306640625	224.0
1960.0941162109375	188.0
1965.6492919921875	140.0
1977.3851318359375	156.0
1983.399169921875	224.0
1984.603515625	136.0
1987.1591796875	144.0
1995.11669921875	144.0
1999.8934326171875	184.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078993
PEPMASS=828.481018
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=41.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=KITASAMYCIN [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CO[C@H]1[C@@H](CC(=O)O[C@H](C)CC=CC=C[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(OC(=O)CC(C)C)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)OC(=O)C
INCHI=InChI=1S/C42H69NO15/c1-23(2)19-33(48)58-42(8)22-34(53-27(6)40(42)50)56-37-26(5)54-41(36(49)35(37)43(9)10)57-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-32(47)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1
INCHIAUX=UKNSBNVKSFTZOJ-XRUKWLHHSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078993
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078993
SCANS=1288
49.792381286621094	204.0
53.51814270019531	160.0
56.3188591003418	176.0
60.837677001953125	224.0
94.25589752197266	196.0
101.10018157958984	220.0
109.06534576416016	1108.0
116.07158660888672	144.0
127.07865142822266	180.0
130.08702087402344	148.0
132.1001739501953	328.0
147.13290405273438	156.0
156.1075897216797	240.0
172.56561279296875	148.0
174.11288452148438	2536.0
175.0425567626953	232.0
175.11961364746094	184.0
183.13906860351562	164.0
185.115966796875	168.0
201.1296844482422	152.0
221.07728576660156	172.0
226.95269775390625	132.0
229.14303588867188	732.0
230.1469268798828	304.0
271.1622009277344	148.0
320.1773681640625	160.0
353.7759094238281	196.0
382.16412353515625	160.0
447.9120788574219	140.0
480.2832336425781	196.0
516.8695068359375	144.0
562.7401123046875	140.0
569.7399291992188	140.0
576.7161254882812	148.0
597.3203735351562	164.0
600.3194580078125	236.0
614.3433227539062	212.0
683.1663818359375	160.0
689.8935546875	148.0
735.7618408203125	160.0
738.1337890625	156.0
742.0159301757812	160.0
747.6976318359375	140.0
760.3110961914062	152.0
786.775390625	148.0
827.4349975585938	128.0
828.3120727539062	160.0
828.4727172851562	5256.0
829.263916015625	108.0
829.4775390625	2404.0
829.6635131835938	112.0
830.0305786132812	164.0
830.4778442382812	712.0
831.4845581054688	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078994
PEPMASS=193.136063
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TOCAINIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(N)C(=O)Nc1c(C)cccc1C
INCHI=InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)
INCHIAUX=BUJAGSGYPOAWEI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078994
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078994
SCANS=991
49.17774963378906	144.0
64.08404541015625	164.0
66.42162322998047	176.0
67.22534942626953	180.0
70.09477996826172	180.0
75.3987808227539	144.0
81.39281463623047	148.0
83.38359832763672	148.0
89.34405517578125	248.0
89.6943130493164	172.0
92.98299407958984	176.0
94.0145263671875	176.0
96.89234161376953	160.0
103.05360412597656	268.0
103.45516967773438	148.0
104.65911102294922	172.0
104.92805480957031	156.0
105.07032775878906	600.0
106.07218170166016	304.0
107.07394409179688	720.0
108.07762145996094	148.0
113.94573974609375	172.0
115.05531311035156	152.0
115.75232696533203	144.0
117.0772933959961	168.0
121.10399627685547	168.0
121.49417877197266	200.0
122.09669494628906	9284.0
123.07975769042969	224.0
123.0995864868164	772.0
123.97313690185547	100.0
124.17728424072266	140.0
132.08026123046875	424.0
133.08926391601562	180.0
133.96078491210938	152.0
134.10836791992188	232.0
136.9303741455078	152.0
143.78440856933594	228.0
144.0828857421875	144.0
148.04421997070312	176.0
148.11131286621094	588.0
149.96693420410156	460.0
150.09132385253906	876.0
154.9695281982422	156.0
158.09719848632812	188.0
161.09042358398438	144.0
163.12405395507812	192.0
163.96144104003906	152.0
167.97669982910156	160.0
175.11834716796875	208.0
175.33499145507812	196.0
176.10739135742188	316.0
178.12371826171875	144.0
187.93203735351562	184.0
192.14077758789062	188.0
193.04397583007812	160.0
193.0909881591797	228.0
193.13394165039062	6888.0
194.0858612060547	196.0
194.1370086669922	948.0
195.14633178710938	160.0
241.0430908203125	152.0
1733.9462890625	244.0
1776.5970458984375	152.0
1790.263671875	168.0
1832.7962646484375	144.0
1850.4678955078125	180.0
1863.0577392578125	160.0
1905.6790771484375	132.0
1911.2674560546875	204.0
1919.0977783203125	148.0
1946.1251220703125	180.0
1987.1845703125	144.0
1988.0186767578125	192.0
1997.712158203125	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078995
PEPMASS=240.117676
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Amfebutamone [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
INCHI=InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
INCHIAUX=SNPPWIUOZRMYNY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078995
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078995
SCANS=1114
47.92694091796875	156.0
53.80548095703125	152.0
60.78969192504883	228.0
62.403263092041016	180.0
72.30496978759766	184.0
74.90029907226562	144.0
80.25497436523438	140.0
85.14497375488281	160.0
85.9697265625	228.0
88.34619903564453	196.0
91.63125610351562	220.0
95.4443130493164	148.0
103.05757904052734	156.0
104.11637878417969	148.0
106.60053253173828	196.0
110.05988311767578	160.0
112.01029205322266	180.0
114.39468383789062	168.0
119.04141998291016	120.0
120.92031860351562	152.0
125.24356842041016	180.0
125.55782318115234	224.0
130.06570434570312	1944.0
130.68499755859375	164.0
130.85342407226562	192.0
131.07362365722656	3744.0
131.62864685058594	196.0
132.07260131835938	276.0
138.9927520751953	256.0
139.03160095214844	1068.0
140.04806518554688	208.0
141.03060913085938	484.0
151.01759338378906	228.0
151.9423370361328	148.0
159.69815063476562	192.0
166.04176330566406	2556.0
167.02621459960938	1272.0
167.05996704101562	320.0
167.13458251953125	180.0
168.039794921875	1176.0
169.0239715576172	244.0
170.0236358642578	164.0
170.0443878173828	140.0
175.40122985839844	180.0
182.03680419921875	172.0
182.09971618652344	136.0
184.0077667236328	168.0
184.0531768798828	8240.0
184.11036682128906	156.0
185.05613708496094	468.0
186.0497589111328	3484.0
187.0581512451172	156.0
210.09658813476562	196.0
223.06790161132812	156.0
238.11770629882812	268.0
239.12655639648438	116.0
239.16439819335938	244.0
240.05516052246094	132.0
240.1148681640625	2500.0
241.0806427001953	184.0
241.1207275390625	128.0
241.21664428710938	280.0
242.10733032226562	488.0
243.1164093017578	284.0
243.14627075195312	172.0
298.9876708984375	144.0
307.16815185546875	144.0
1044.3768310546875	224.0
1459.6513671875	140.0
1503.439208984375	172.0
1701.1871337890625	156.0
1742.0313720703125	180.0
1747.826171875	276.0
1970.5435791015625	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078996
PEPMASS=256.172485
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Atomoxetine hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CNCC[C@@H](Oc1ccccc1C)c2ccccc2
INCHI=InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
INCHIAUX=VHGCDTVCOLNTBX-QGZVFWFLSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078996
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078996
SCANS=1156
46.70433807373047	188.0
49.531551361083984	152.0
50.24991989135742	140.0
51.73080825805664	196.0
56.147281646728516	168.0
58.23789596557617	196.0
59.98845291137695	192.0
69.57923126220703	208.0
80.59938049316406	180.0
91.06048583984375	168.0
112.0986557006836	152.0
112.60919189453125	168.0
115.05978393554688	164.0
117.07012939453125	568.0
118.07635498046875	336.0
118.5268783569336	156.0
119.01274871826172	148.0
120.40204620361328	156.0
120.9639663696289	148.0
121.06372833251953	156.0
121.63472747802734	156.0
123.99698638916016	180.0
129.78994750976562	160.0
131.77012634277344	156.0
132.06044006347656	152.0
132.917236328125	208.0
141.15948486328125	148.0
143.4530029296875	184.0
145.10733032226562	140.0
145.84912109375	148.0
146.59518432617188	180.0
147.07936096191406	524.0
147.65740966796875	240.0
148.11209106445312	8172.0
148.97357177734375	140.0
149.118408203125	1536.0
149.90785217285156	148.0
152.0673065185547	140.0
166.09136962890625	176.0
168.10067749023438	140.0
173.15194702148438	156.0
179.08409118652344	172.0
181.0662078857422	140.0
182.0879669189453	164.0
185.93484497070312	176.0
193.99658203125	164.0
195.86154174804688	140.0
197.09329223632812	300.0
198.09580993652344	160.0
212.99111938476562	156.0
213.5928192138672	148.0
219.21414184570312	320.0
223.0617218017578	204.0
225.12644958496094	168.0
227.1343994140625	164.0
229.89688110351562	212.0
237.2176971435547	140.0
241.47610473632812	168.0
246.0970001220703	168.0
255.16946411132812	180.0
256.1708984375	17736.0
256.3175964355469	120.0
257.1744384765625	1736.0
258.0821838378906	176.0
258.1774597167969	252.0
258.8094482421875	124.0
259.1191711425781	152.0
348.8595275878906	152.0
1657.1939697265625	188.0
1714.163818359375	172.0
1854.392822265625	144.0
1949.965576171875	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078997
PEPMASS=315.072449
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ROFECOXIB [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3
INCHI=InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
INCHIAUX=RZJQGNCSTQAWON-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078997
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078997
SCANS=1310
48.814170837402344	168.0
49.516136169433594	200.0
52.91708755493164	156.0
52.97212219238281	140.0
55.87765884399414	196.0
56.84589767456055	164.0
62.439353942871094	144.0
65.34896850585938	140.0
66.21744537353516	212.0
69.41661834716797	184.0
76.51069641113281	176.0
76.79996490478516	148.0
86.21707916259766	188.0
89.43067932128906	184.0
91.50543975830078	196.0
94.31201934814453	140.0
99.29926300048828	184.0
101.07225799560547	184.0
101.94654846191406	168.0
103.0528793334961	176.0
105.03620910644531	172.0
106.18570709228516	164.0
106.59217834472656	164.0
108.75445556640625	172.0
115.62397003173828	172.0
117.53437042236328	156.0
121.79719543457031	168.0
130.04173278808594	192.0
131.04901123046875	328.0
134.87709045410156	164.0
135.7081756591797	140.0
148.7646942138672	196.0
152.0590362548828	244.0
153.06689453125	136.0
157.03053283691406	164.0
159.044677734375	144.0
163.78067016601562	296.0
164.3415069580078	180.0
164.5941925048828	156.0
165.0701141357422	168.0
166.0400390625	172.0
166.0782012939453	372.0
166.1041717529297	160.0
175.37200927734375	148.0
177.06707763671875	96.0
178.0789337158203	1856.0
179.0821990966797	440.0
180.09808349609375	180.0
180.7159423828125	144.0
181.06044006347656	196.0
181.99362182617188	180.0
183.27122497558594	208.0
184.43435668945312	160.0
185.10800170898438	184.0
188.04405212402344	188.0
188.65863037109375	144.0
189.0704345703125	1096.0
190.0784454345703	1412.0
190.1185302734375	156.0
191.08570861816406	4188.0
191.17654418945312	192.0
191.61158752441406	164.0
192.09278869628906	5432.0
192.24148559570312	112.0
193.03233337402344	228.0
193.06736755371094	204.0
193.0959930419922	656.0
193.22390747070312	176.0
193.50343322753906	152.0
194.07583618164062	140.0
195.07919311523438	160.0
195.1042022705078	164.0
203.85154724121094	188.0
205.0980987548828	176.0
205.9084014892578	188.0
206.07296752929688	3420.0
207.08023071289062	1840.0
208.09043884277344	392.0
209.02011108398438	132.0
209.0941162109375	156.0
210.06170654296875	152.0
217.06201171875	168.0
217.83424377441406	152.0
218.071533203125	2272.0
219.07699584960938	504.0
222.0655975341797	924.0
223.0795135498047	224.0
229.215087890625	148.0
231.4503173828125	152.0
236.08355712890625	2616.0
237.02674865722656	124.0
237.084716796875	856.0
238.08758544921875	224.0
244.4698486328125	152.0
254.71994018554688	208.0
257.0624694824219	176.0
257.1844787597656	140.0
258.45318603515625	144.0
262.8133850097656	196.0
267.7862243652344	168.0
267.95233154296875	160.0
268.0240173339844	268.0
269.0628662109375	11184.0
269.136962890625	192.0
269.48468017578125	132.0
270.06695556640625	1572.0
270.49957275390625	140.0
270.5224914550781	152.0
270.9056091308594	204.0
271.0622863769531	828.0
272.04864501953125	368.0
272.0829772949219	220.0
287.0730895996094	120.0
287.1545715332031	148.0
288.0765075683594	152.0
296.41864013671875	144.0
296.9088439941406	152.0
297.0582275390625	11628.0
298.0599365234375	1412.0
298.1061096191406	184.0
298.155029296875	156.0
298.18597412109375	192.0
299.0572509765625	948.0
299.89752197265625	116.0
299.9378967285156	144.0
300.2424621582031	152.0
313.6654052734375	152.0
314.8367919921875	140.0
314.89306640625	136.0
315.02606201171875	184.0
315.0694885253906	25888.0
315.1852722167969	188.0
315.2232971191406	180.0
315.7796936035156	120.0
315.9607849121094	188.0
316.0222473144531	144.0
316.07147216796875	2572.0
316.23907470703125	144.0
317.0666809082031	1076.0
317.15771484375	168.0
317.4023132324219	144.0
317.9361877441406	96.0
318.0675048828125	128.0
318.142578125	112.0
318.21514892578125	136.0
318.28558349609375	108.0
318.3557434082031	116.0
333.07373046875	172.0
333.101318359375	156.0
356.0855712890625	144.0
399.0184020996094	160.0
1834.1611328125	152.0
1920.59033203125	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078998
PEPMASS=748.495911
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=39.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=CLARITHROMYCIN [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
INCHI=InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
INCHIAUX=AGOYDEPGAOXOCK-KCBOHYOISA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078998
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078998
SCANS=1200
45.175899505615234	160.0
45.32049560546875	164.0
45.433685302734375	328.0
45.4612922668457	228.0
45.52035903930664	152.0
46.168556213378906	172.0
46.225372314453125	140.0
46.89626693725586	168.0
46.9262580871582	176.0
47.105037689208984	144.0
47.203697204589844	172.0
47.26773452758789	196.0
47.36493682861328	188.0
47.499271392822266	164.0
47.5225944519043	164.0
47.681884765625	228.0
48.002647399902344	184.0
48.136497497558594	240.0
48.17793273925781	264.0
48.23735809326172	184.0
48.34385299682617	212.0
48.403377532958984	320.0
48.5544319152832	404.0
48.56691360473633	204.0
48.61408233642578	184.0
48.63609313964844	140.0
48.666831970214844	148.0
48.93656921386719	164.0
48.95188522338867	184.0
48.972774505615234	188.0
49.14284896850586	164.0
49.51888656616211	192.0
50.158199310302734	148.0
50.220237731933594	144.0
50.57913589477539	140.0
50.94072723388672	140.0
51.50053024291992	148.0
51.54338836669922	208.0
51.656333923339844	180.0
51.689239501953125	152.0
51.7264518737793	208.0
51.75508499145508	160.0
52.97351837158203	192.0
53.03437423706055	144.0
53.45845413208008	140.0
53.80827713012695	204.0
54.185611724853516	144.0
54.54368209838867	160.0
55.082237243652344	136.0
55.16722869873047	244.0
55.21897888183594	200.0
55.26779556274414	308.0
55.31071472167969	168.0
55.45142364501953	212.0
55.783912658691406	148.0
55.828514099121094	156.0
56.14419174194336	144.0
56.57305908203125	156.0
56.712364196777344	164.0
56.813629150390625	180.0
56.86985397338867	180.0
56.94042205810547	196.0
57.00502014160156	172.0
57.0185432434082	164.0
57.09070587158203	180.0
57.2728157043457	440.0
57.44767379760742	144.0
57.58503341674805	156.0
57.65928268432617	192.0
57.913394927978516	280.0
58.032958984375	148.0
58.53488540649414	244.0
58.82765197753906	148.0
59.226219177246094	184.0
59.24153518676758	172.0
59.31049346923828	156.0
59.80111312866211	104.0
59.99763107299805	140.0
60.18585968017578	140.0
60.20284652709961	148.0
60.35531234741211	200.0
60.42697525024414	220.0
60.72904968261719	192.0
60.86716842651367	156.0
60.949493408203125	144.0
61.24819564819336	168.0
61.690128326416016	208.0
61.79301834106445	164.0
61.88148880004883	220.0
62.073341369628906	268.0
62.39997863769531	144.0
62.44558334350586	160.0
62.613983154296875	152.0
62.650211334228516	148.0
62.69895553588867	184.0
62.792076110839844	192.0
62.89045333862305	140.0
62.90568161010742	152.0
62.956207275390625	164.0
63.415008544921875	176.0
63.63391876220703	200.0
63.69585418701172	244.0
63.926387786865234	220.0
64.09358978271484	168.0
64.29132080078125	176.0
64.68511962890625	176.0
64.72238159179688	204.0
64.8389892578125	140.0
64.92803955078125	228.0
65.67431640625	148.0
65.91485595703125	176.0
66.07816314697266	144.0
66.23717498779297	216.0
66.42160034179688	252.0
66.48650360107422	188.0
66.76593017578125	140.0
66.80830383300781	184.0
66.83587646484375	152.0
67.86490631103516	140.0
68.05851745605469	144.0
68.07657623291016	140.0
68.65750122070312	176.0
68.79114532470703	184.0
68.88362121582031	224.0
68.96559143066406	112.0
69.01252746582031	140.0
69.25302124023438	172.0
69.31906127929688	168.0
69.3750991821289	140.0
69.48953247070312	152.0
69.5857925415039	180.0
69.7369613647461	188.0
69.7951431274414	196.0
69.8467025756836	148.0
69.89827728271484	188.0
69.94820404052734	356.0
70.06477355957031	212.0
70.12476348876953	144.0
70.17977142333984	140.0
70.25495147705078	160.0
70.39335632324219	160.0
70.45014190673828	168.0
70.46183776855469	148.0
70.59579467773438	192.0
70.6122817993164	160.0
70.69760131835938	164.0
70.85499572753906	148.0
70.8935317993164	144.0
71.00082397460938	148.0
71.192138671875	172.0
71.95490264892578	224.0
72.11767578125	168.0
72.49787139892578	228.0
72.78302764892578	192.0
73.22246551513672	148.0
73.47045135498047	200.0
74.00881958007812	148.0
74.0633773803711	140.0
74.1133041381836	152.0
74.16128540039062	236.0
74.20071411132812	168.0
74.2802963256836	176.0
74.37211608886719	148.0
74.45294952392578	196.0
74.58008575439453	228.0
75.020751953125	164.0
75.17597961425781	196.0
75.56475830078125	236.0
75.69803619384766	180.0
75.91934204101562	176.0
76.02220153808594	156.0
76.42858123779297	148.0
76.91504669189453	140.0
76.97265625	152.0
77.05998992919922	208.0
77.12639617919922	224.0
77.4378433227539	148.0
78.0388412475586	124.0
78.10134887695312	152.0
78.1822280883789	180.0
78.31251525878906	164.0
78.52930450439453	160.0
78.65634155273438	156.0
78.78214263916016	216.0
78.9036636352539	208.0
78.98677825927734	188.0
79.3409423828125	152.0
79.50057983398438	140.0
79.69235229492188	248.0
79.99533081054688	128.0
81.4412841796875	152.0
81.59402465820312	140.0
81.6102066040039	148.0
81.6569595336914	164.0
81.90715026855469	148.0
82.34905242919922	144.0
82.94796752929688	176.0
83.0484390258789	244.0
83.11663055419922	148.0
83.28182983398438	156.0
83.45993041992188	152.0
83.49447631835938	176.0
84.02454376220703	144.0
84.15959930419922	140.0
84.89153289794922	148.0
85.19805145263672	168.0
85.30095672607422	144.0
85.33221435546875	172.0
85.45912170410156	152.0
85.6229476928711	192.0
85.70953369140625	140.0
85.8440933227539	172.0
86.09322357177734	204.0
86.28538513183594	152.0
86.64071655273438	144.0
86.87986755371094	140.0
87.3397216796875	180.0
87.67182159423828	164.0
87.70550537109375	188.0
87.729736328125	180.0
88.07392120361328	160.0
88.31354522705078	164.0
88.7580337524414	168.0
88.86307525634766	184.0
88.89309692382812	244.0
89.07708740234375	184.0
89.27255249023438	140.0
89.4701156616211	140.0
90.08111572265625	168.0
90.1436767578125	180.0
90.4460678100586	152.0
90.56089782714844	192.0
90.67932891845703	156.0
90.76434326171875	140.0
90.79468536376953	152.0
91.36071014404297	212.0
91.47108459472656	144.0
91.62723541259766	140.0
91.72442626953125	168.0
91.91239929199219	128.0
92.19585418701172	192.0
92.3927993774414	164.0
92.44637298583984	176.0
92.6263427734375	188.0
92.88703155517578	324.0
92.94075012207031	184.0
93.40951538085938	180.0
93.67708587646484	192.0
93.83804321289062	224.0
94.48490142822266	124.0
94.69114685058594	144.0
95.25946807861328	168.0
95.40132141113281	192.0
95.5958251953125	188.0
95.76325225830078	208.0
95.77688598632812	160.0
95.91327667236328	156.0
95.93472290039062	208.0
96.05562591552734	228.0
96.08016967773438	180.0
96.19612121582031	148.0
96.9295425415039	188.0
97.0647964477539	152.0
97.10052490234375	164.0
97.32379913330078	140.0
97.5418701171875	140.0
97.8330078125	160.0
97.94918823242188	164.0
97.98464965820312	144.0
98.05834197998047	188.0
98.09713745117188	10344.0
98.15576934814453	176.0
98.19754028320312	156.0
98.30801391601562	168.0
98.40369415283203	144.0
98.67145538330078	192.0
98.68924713134766	196.0
98.72333526611328	220.0
98.85935974121094	140.0
98.98802947998047	320.0
99.03877258300781	168.0
99.08171081542969	728.0
99.09915924072266	384.0
99.73995208740234	168.0
100.07585144042969	1536.0
100.10015106201172	152.0
100.52364349365234	144.0
100.7822265625	164.0
101.01213836669922	140.0
101.03013610839844	168.0
101.08319091796875	140.0
101.10692596435547	132.0
101.14420318603516	184.0
101.44467163085938	172.0
102.10928344726562	196.0
102.41240692138672	112.0
102.76396179199219	208.0
102.95976257324219	204.0
103.11128234863281	140.0
103.17298889160156	200.0
103.19011688232422	164.0
103.45919036865234	244.0
103.63539123535156	156.0
103.67996978759766	140.0
103.71240234375	144.0
104.03289794921875	176.0
104.29900360107422	172.0
104.70591735839844	140.0
104.76702880859375	156.0
104.99735260009766	200.0
105.11387634277344	168.0
105.37090301513672	148.0
105.52622985839844	180.0
105.56507873535156	140.0
106.30253601074219	164.0
106.40515899658203	192.0
106.49961853027344	160.0
106.53549194335938	140.0
106.62652587890625	172.0
106.9478530883789	152.0
107.02608489990234	180.0
107.08580017089844	252.0
107.4300308227539	168.0
107.47283935546875	176.0
107.72109985351562	160.0
108.25263977050781	196.0
108.287841796875	168.0
108.4577407836914	188.0
108.71907043457031	160.0
109.06343078613281	800.0
109.10076904296875	328.0
109.1968994140625	140.0
109.25514221191406	140.0
109.46327209472656	160.0
109.54033660888672	144.0
109.89702606201172	128.0
109.99700164794922	176.0
110.0213394165039	132.0
110.06787109375	148.0
110.09722137451172	156.0
110.47763061523438	224.0
110.69110870361328	292.0
110.92156982421875	152.0
110.96768951416016	216.0
111.77424621582031	144.0
111.93000793457031	156.0
111.99529266357422	172.0
112.11430358886719	168.0
112.16386413574219	180.0
112.22288513183594	188.0
112.52881622314453	212.0
112.69567108154297	148.0
112.88168334960938	180.0
112.92924499511719	140.0
113.05967712402344	5432.0
113.4936294555664	204.0
113.66755676269531	160.0
113.69090270996094	248.0
114.06295013427734	440.0
114.0908432006836	2136.0
114.77365112304688	164.0
114.9378890991211	172.0
114.95282745361328	176.0
115.07542419433594	6680.0
115.4462890625	140.0
115.51798248291016	216.0
115.80752563476562	148.0
115.91532135009766	112.0
116.07123565673828	24732.0
116.10729217529297	32124.0
116.2351303100586	96.0
116.34950256347656	112.0
116.45356750488281	180.0
116.71359252929688	172.0
116.75173950195312	192.0
116.86103057861328	124.0
117.07256317138672	1232.0
117.111328125	2264.0
117.33367156982422	140.0
117.35954284667969	216.0
117.41658020019531	196.0
117.46638488769531	136.0
117.685791015625	176.0
117.76092529296875	152.0
117.77703857421875	128.0
118.02882385253906	120.0
118.07931518554688	140.0
118.11294555664062	264.0
118.28202056884766	144.0
118.37078094482422	144.0
118.47257995605469	212.0
118.54624938964844	152.0
118.57225036621094	180.0
118.63294219970703	196.0
119.21244812011719	176.0
119.3080825805664	168.0
119.47119140625	160.0
119.80644226074219	216.0
121.0470199584961	160.0
121.10125732421875	432.0
121.36474609375	168.0
121.7399673461914	184.0
121.79927062988281	144.0
122.04407501220703	152.0
122.22136688232422	156.0
122.40626525878906	144.0
122.83162689208984	164.0
123.07984161376953	1288.0
123.12296295166016	204.0
123.46551513671875	152.0
123.59159851074219	240.0
124.08174896240234	164.0
124.10990142822266	160.0
124.79598236083984	204.0
124.9094009399414	152.0
125.0969467163086	272.0
125.23660278320312	148.0
126.09223937988281	160.0
126.27668762207031	196.0
126.53277587890625	220.0
126.80281829833984	156.0
126.86550903320312	128.0
126.95555877685547	152.0
127.02030944824219	212.0
127.07540893554688	10924.0
127.1235122680664	184.0
127.18635559082031	176.0
127.36994934082031	188.0
128.07972717285156	788.0
128.10516357421875	424.0
128.18490600585938	140.0
128.34494018554688	188.0
128.56600952148438	164.0
128.72854614257812	184.0
128.7510528564453	136.0
129.09002685546875	128.0
129.11154174804688	132.0
130.07412719726562	124.0
130.63693237304688	188.0
130.78028869628906	156.0
130.85768127441406	172.0
131.24501037597656	208.0
131.3248291015625	152.0
131.616943359375	196.0
131.8202362060547	172.0
131.9139404296875	152.0
132.56781005859375	168.0
133.10150146484375	128.0
135.11282348632812	172.0
135.18917846679688	156.0
135.2493438720703	172.0
135.57591247558594	156.0
135.77064514160156	176.0
135.85877990722656	188.0
136.6230926513672	148.0
136.75881958007812	132.0
136.8372039794922	148.0
137.0976104736328	412.0
137.2869110107422	164.0
137.72567749023438	176.0
138.3102264404297	156.0
138.3903045654297	192.0
138.60061645507812	204.0
138.6873321533203	140.0
138.8350372314453	180.0
138.8655242919922	272.0
139.07542419433594	132.0
139.1124725341797	292.0
139.13302612304688	180.0
139.4665985107422	188.0
139.67820739746094	140.0
139.73703002929688	184.0
140.1076202392578	712.0
140.13491821289062	164.0
140.19618225097656	144.0
140.22210693359375	144.0
140.30224609375	148.0
140.3942108154297	184.0
140.6537322998047	140.0
140.92530822753906	156.0
141.1028289794922	148.0
141.33909606933594	196.0
141.60423278808594	228.0
141.6776580810547	140.0
142.02342224121094	204.0
142.1201934814453	572.0
142.7594757080078	168.0
143.09786987304688	160.0
143.2193145751953	196.0
143.53150939941406	140.0
143.82972717285156	144.0
144.21665954589844	204.0
145.41661071777344	204.0
146.209716796875	140.0
146.97360229492188	184.0
147.11358642578125	184.0
148.31822204589844	184.0
148.5922393798828	172.0
148.61651611328125	164.0
149.13229370117188	176.0
149.37205505371094	248.0
149.46206665039062	164.0
149.6470489501953	144.0
150.0661163330078	148.0
150.23683166503906	148.0
150.31979370117188	144.0
150.38568115234375	152.0
150.69093322753906	140.0
151.07965087890625	172.0
151.1109161376953	168.0
152.0131378173828	172.0
152.067138671875	140.0
152.34951782226562	196.0
152.83877563476562	156.0
153.0902862548828	296.0
153.18344116210938	144.0
153.38796997070312	152.0
153.9567413330078	152.0
154.1703643798828	204.0
154.48562622070312	228.0
154.61550903320312	156.0
154.9250030517578	156.0
155.30923461914062	164.0
155.34494018554688	152.0
155.46571350097656	160.0
156.10098266601562	424.0
156.2059326171875	152.0
156.40000915527344	200.0
156.5244903564453	260.0
156.83392333984375	176.0
156.90570068359375	168.0
157.10191345214844	216.0
157.28736877441406	164.0
157.3497772216797	200.0
157.41603088378906	128.0
157.44900512695312	108.0
157.51959228515625	204.0
157.6708526611328	264.0
157.69192504882812	140.0
157.70053100585938	132.0
157.74627685546875	212.0
157.80435180664062	208.0
157.8253173828125	208.0
157.85926818847656	292.0
157.89149475097656	196.0
157.93800354003906	164.0
157.95602416992188	288.0
157.99090576171875	104.0
157.99887084960938	220.0
158.01593017578125	664.0
158.0425567626953	152.0
158.0537109375	176.0
158.06321716308594	236.0
158.09349060058594	516.0
158.1190948486328	330588.0
158.18397521972656	196.0
158.21353149414062	312.0
158.3058624267578	312.0
158.32594299316406	380.0
158.34840393066406	260.0
158.3870391845703	132.0
158.4229278564453	212.0
158.46826171875	176.0
158.49012756347656	140.0
158.52980041503906	4048.0
158.56146240234375	96.0
158.58944702148438	200.0
158.66998291015625	224.0
158.69760131835938	184.0
158.74972534179688	192.0
158.94129943847656	172.0
158.96070861816406	216.0
159.0714111328125	168.0
159.121337890625	37676.0
159.2665252685547	124.0
159.38526916503906	152.0
159.41580200195312	240.0
159.48838806152344	128.0
159.51910400390625	184.0
159.5957794189453	120.0
159.6483154296875	128.0
159.75537109375	112.0
159.8143768310547	128.0
159.92483520507812	248.0
159.95843505859375	108.0
159.9894561767578	132.0
160.12159729003906	2904.0
160.15000915527344	304.0
160.18873596191406	148.0
160.25059509277344	200.0
160.27378845214844	144.0
160.3085174560547	144.0
160.34754943847656	240.0
160.3842010498047	216.0
160.4135284423828	256.0
160.4386749267578	316.0
160.491943359375	196.0
160.5415496826172	128.0
160.595703125	168.0
160.6806182861328	128.0
160.90357971191406	112.0
161.0172576904297	128.0
161.07235717773438	128.0
161.12506103515625	400.0
161.2369384765625	140.0
161.278076171875	116.0
161.3542938232422	220.0
161.4791717529297	164.0
162.40225219726562	96.0
163.05284118652344	160.0
163.111083984375	140.0
165.0911865234375	268.0
167.14450073242188	152.0
167.71141052246094	120.0
167.91990661621094	164.0
170.21878051757812	100.0
171.10035705566406	188.0
171.12799072265625	160.0
171.8812713623047	148.0
172.25828552246094	108.0
174.1168670654297	196.0
175.10836791992188	168.0
175.43246459960938	236.0
176.12832641601562	956.0
177.1287384033203	340.0
181.0897216796875	140.0
181.1204376220703	132.0
183.1007080078125	412.0
184.09645080566406	144.0
184.33416748046875	140.0
187.1490020751953	480.0
188.15577697753906	196.0
189.11524963378906	180.0
190.1427459716797	1024.0
190.17654418945312	152.0
191.78895568847656	156.0
192.58792114257812	144.0
193.12545776367188	280.0
194.12112426757812	192.0
195.13661193847656	912.0
196.13079833984375	144.0
199.2766571044922	212.0
201.1628875732422	160.0
202.18104553222656	140.0
203.74053955078125	148.0
204.19869995117188	176.0
204.44000244140625	200.0
205.12640380859375	148.0
205.16012573242188	144.0
205.70260620117188	208.0
211.13038635253906	100.0
213.15252685546875	192.0
219.41432189941406	196.0
220.14967346191406	128.0
221.11976623535156	456.0
221.14935302734375	144.0
222.1171875	176.0
223.17172241210938	136.0
228.52232360839844	176.0
228.80523681640625	192.0
231.27450561523438	216.0
232.14097595214844	316.0
233.15106201171875	660.0
233.18492126464844	160.0
233.6961669921875	168.0
234.0340118408203	140.0
234.186279296875	176.0
235.1649932861328	200.0
236.1732635498047	140.0
237.41671752929688	160.0
239.1309356689453	164.0
239.38653564453125	140.0
240.87001037597656	184.0
240.97195434570312	140.0
243.1744842529297	148.0
244.22381591796875	156.0
244.57229614257812	140.0
245.19009399414062	432.0
246.1779022216797	160.0
247.16567993164062	156.0
249.14404296875	148.0
251.16464233398438	264.0
252.16571044921875	152.0
252.60220336914062	160.0
253.65667724609375	160.0
253.80267333984375	148.0
260.3505859375	144.0
263.1997985839844	144.0
263.426513671875	196.0
264.2217712402344	144.0
265.1428527832031	140.0
266.1852111816406	128.0
267.15771484375	188.0
270.5909423828125	208.0
271.17144775390625	112.0
272.1846008300781	292.0
272.5424499511719	140.0
273.25970458984375	132.0
274.1985168457031	324.0
276.2158203125	136.0
281.1623229980469	232.0
281.2142639160156	132.0
281.5672607421875	164.0
283.2216491699219	140.0
284.18603515625	2588.0
284.5565185546875	252.0
285.1868591308594	812.0
286.0659484863281	148.0
286.18853759765625	164.0
286.8879089355469	144.0
288.2548522949219	220.0
288.9479675292969	144.0
289.18084716796875	648.0
289.2728576660156	192.0
290.1766357421875	404.0
291.199951171875	148.0
291.9648742675781	140.0
292.1097106933594	200.0
292.3648681640625	176.0
295.1507873535156	208.0
295.19970703125	184.0
296.6102600097656	172.0
297.1795349121094	172.0
299.9513854980469	160.0
301.7188415527344	184.0
301.7745666503906	164.0
303.2293395996094	116.0
303.4325256347656	160.0
304.80352783203125	164.0
307.19061279296875	1024.0
308.1952819824219	656.0
309.4249572753906	140.0
309.5265197753906	168.0
311.7996826171875	204.0
312.6253356933594	108.0
312.91827392578125	160.0
313.3092041015625	152.0
315.9580383300781	168.0
316.21246337890625	21840.0
316.2978515625	120.0
316.47918701171875	108.0
316.68426513671875	136.0
317.215087890625	3680.0
318.21649169921875	560.0
319.2449645996094	152.0
320.00286865234375	180.0
320.1239318847656	220.0
320.2058410644531	200.0
321.2006530761719	104.0
321.23931884765625	160.0
321.51422119140625	172.0
325.2012023925781	304.0
326.21197509765625	196.0
326.256591796875	160.0
327.48724365234375	144.0
329.2091979980469	116.0
329.2508544921875	140.0
329.9751281738281	152.0
330.1687927246094	144.0
330.6048889160156	112.0
332.3396911621094	188.0
332.716064453125	144.0
334.4950256347656	160.0
336.2723693847656	184.0
339.2168273925781	768.0
339.7118835449219	160.0
339.8255920410156	152.0
340.2192687988281	176.0
341.21466064453125	132.0
342.2145080566406	240.0
343.0840759277344	140.0
343.67633056640625	112.0
343.82391357421875	132.0
344.50115966796875	172.0
347.2297058105469	640.0
348.2087707519531	148.0
352.0559387207031	144.0
352.9004211425781	152.0
353.9930419921875	160.0
358.0224609375	172.0
358.40289306640625	140.0
361.8132629394531	100.0
362.23089599609375	180.0
362.54345703125	156.0
363.315673828125	156.0
364.4303283691406	140.0
364.76702880859375	180.0
365.2328186035156	1964.0
366.01104736328125	128.0
366.2335205078125	352.0
366.28680419921875	176.0
366.671630859375	192.0
367.24920654296875	148.0
367.9303894042969	164.0
368.64898681640625	144.0
369.6847839355469	148.0
370.000244140625	192.0
370.3662414550781	176.0
371.0993957519531	132.0
371.1748962402344	140.0
372.7217712402344	140.0
373.51373291015625	212.0
373.8501281738281	148.0
374.853515625	140.0
379.24542236328125	256.0
380.2625732421875	160.0
382.0551452636719	224.0
382.1656494140625	124.0
382.8006896972656	108.0
382.8880920410156	168.0
383.1529846191406	144.0
383.240966796875	1196.0
384.2450866699219	792.0
384.4351806640625	132.0
384.50213623046875	164.0
384.8100280761719	132.0
386.2173156738281	144.0
389.4077453613281	148.0
390.9803161621094	172.0
392.615234375	172.0
393.1596374511719	156.0
394.24169921875	160.0
394.4222412109375	164.0
397.25946044921875	1436.0
397.6693115234375	160.0
398.2576599121094	552.0
399.2681884765625	236.0
399.9181823730469	136.0
400.17578125	172.0
401.2507019042969	208.0
401.97509765625	104.0
402.25897216796875	136.0
404.0230712890625	144.0
405.9696960449219	140.0
406.0866394042969	148.0
406.28253173828125	160.0
406.8998718261719	136.0
407.2579650878906	152.0
407.51702880859375	132.0
407.9571228027344	184.0
408.2749938964844	140.0
409.8099670410156	136.0
411.7388000488281	124.0
413.7461853027344	140.0
413.8352355957031	144.0
415.26861572265625	840.0
415.52532958984375	168.0
416.27154541015625	404.0
419.1724853515625	144.0
421.1451721191406	96.0
422.2301025390625	176.0
422.94610595703125	156.0
423.00341796875	144.0
424.5562438964844	140.0
424.8597717285156	144.0
425.7340393066406	160.0
425.9927673339844	144.0
429.725341796875	188.0
431.8371276855469	164.0
432.3837585449219	144.0
433.281494140625	1264.0
433.3951721191406	148.0
433.4894714355469	176.0
434.2810974121094	444.0
434.3974304199219	152.0
435.21087646484375	148.0
435.27313232421875	144.0
436.05413818359375	240.0
436.1622009277344	144.0
438.1221618652344	152.0
439.348388671875	112.0
439.4103698730469	164.0
439.7296142578125	104.0
440.0155334472656	164.0
441.78582763671875	192.0
444.18359375	180.0
444.229736328125	140.0
445.863037109375	192.0
446.3044128417969	144.0
446.49786376953125	144.0
448.2195739746094	156.0
448.3080749511719	192.0
448.7295837402344	152.0
449.84332275390625	168.0
451.28814697265625	188.0
451.7195129394531	144.0
453.03179931640625	172.0
453.434326171875	224.0
453.5826721191406	152.0
454.490234375	172.0
455.4666442871094	232.0
455.9740295410156	144.0
458.4183044433594	160.0
458.5570373535156	120.0
460.05706787109375	164.0
461.8089904785156	168.0
462.3737487792969	156.0
464.0700378417969	160.0
464.2964172363281	272.0
464.6125183105469	124.0
465.2262268066406	120.0
465.28851318359375	144.0
465.3228454589844	156.0
465.4957275390625	108.0
465.88543701171875	140.0
466.2947998046875	176.0
466.6504211425781	148.0
467.7043762207031	140.0
468.3416442871094	176.0
468.4234619140625	144.0
469.30694580078125	144.0
471.4609375	172.0
475.8487854003906	168.0
476.65667724609375	196.0
479.1889953613281	156.0
479.2804870605469	180.0
479.8556213378906	100.0
480.6583557128906	228.0
481.5270690917969	180.0
482.30645751953125	240.0
483.313720703125	124.0
485.7625427246094	120.0
485.8868408203125	200.0
486.17205810546875	144.0
487.4674987792969	144.0
487.5495300292969	144.0
487.6224670410156	184.0
488.2308044433594	208.0
488.8923034667969	184.0
489.3808898925781	144.0
489.64068603515625	196.0
490.4954528808594	204.0
491.2598571777344	160.0
493.04486083984375	116.0
493.6654357910156	152.0
493.7715759277344	140.0
494.1519775390625	152.0
494.27587890625	164.0
494.8125305175781	192.0
496.238037109375	184.0
497.6134033203125	144.0
497.99530029296875	184.0
498.137451171875	172.0
498.972412109375	108.0
499.8009033203125	124.0
500.1408996582031	136.0
500.3200378417969	288.0
500.7216491699219	164.0
502.3976135253906	140.0
502.83489990234375	140.0
503.20159912109375	108.0
503.6041564941406	120.0
505.0241394042969	224.0
506.4717712402344	188.0
507.07672119140625	180.0
507.3631896972656	124.0
508.18585205078125	132.0
509.9141845703125	160.0
510.8014221191406	168.0
513.5490112304688	148.0
514.1360473632812	156.0
515.1378784179688	148.0
515.2011108398438	164.0
515.3738403320312	156.0
515.657470703125	160.0
515.955810546875	148.0
517.2677001953125	184.0
517.7385864257812	168.0
517.8685302734375	128.0
518.7444458007812	188.0
519.2296142578125	168.0
519.5032958984375	116.0
520.3515625	152.0
520.4911499023438	152.0
521.8775634765625	144.0
522.0388793945312	104.0
522.16796875	172.0
522.3411865234375	808.0
522.6820678710938	164.0
522.7523803710938	136.0
523.3360595703125	328.0
524.3441772460938	100.0
524.9915771484375	232.0
525.3486328125	240.0
525.48876953125	160.0
526.11328125	136.0
526.2235717773438	216.0
527.52099609375	144.0
527.6581420898438	156.0
529.8045043945312	140.0
529.9419555664062	156.0
530.8494873046875	216.0
530.9871215820312	148.0
531.4052124023438	128.0
532.6761474609375	148.0
532.8782958984375	164.0
533.3930053710938	152.0
535.829345703125	116.0
536.0966186523438	104.0
536.6431274414062	144.0
536.960693359375	144.0
537.6718139648438	144.0
538.004150390625	160.0
538.0641479492188	176.0
538.6921997070312	196.0
540.2771606445312	136.0
540.3525390625	2240.0
540.777099609375	160.0
540.94140625	108.0
541.3587646484375	852.0
541.6219482421875	140.0
542.0899658203125	144.0
542.359375	312.0
542.6846923828125	140.0
543.7252197265625	160.0
543.9990234375	192.0
544.0703735351562	164.0
544.1197509765625	140.0
545.1575317382812	112.0
545.4808959960938	160.0
545.9765014648438	132.0
546.6389770507812	152.0
546.929931640625	176.0
547.1835327148438	216.0
547.3139038085938	148.0
548.3294067382812	184.0
548.6021728515625	116.0
550.1951904296875	144.0
551.003173828125	144.0
553.6552734375	140.0
553.6927490234375	208.0
554.3651733398438	204.0
555.3787841796875	276.0
555.8585205078125	164.0
556.0227661132812	148.0
556.3223876953125	116.0
556.449951171875	244.0
556.580078125	116.0
556.7822875976562	144.0
556.9361572265625	112.0
557.50634765625	120.0
557.6893310546875	100.0
557.8687133789062	168.0
557.9933471679688	132.0
558.110595703125	248.0
558.2671508789062	268.0
558.3643188476562	47032.0
558.494384765625	300.0
558.5491333007812	196.0
558.5914916992188	176.0
558.865234375	120.0
558.9798583984375	160.0
559.0858764648438	128.0
559.1495361328125	128.0
559.2826538085938	108.0
559.3679809570312	11460.0
559.629638671875	148.0
559.89794921875	112.0
560.014404296875	144.0
560.3682250976562	3752.0
561.3687133789062	472.0
561.5894165039062	144.0
562.0697631835938	144.0
562.2214965820312	244.0
562.3870849609375	308.0
562.7130737304688	184.0
562.9288940429688	144.0
563.3665161132812	152.0
563.4509887695312	136.0
563.6807861328125	116.0
564.0140380859375	104.0
564.7011108398438	148.0
565.3846435546875	96.0
566.438720703125	112.0
567.201904296875	164.0
567.29736328125	148.0
568.956298828125	160.0
570.16748046875	144.0
570.970947265625	160.0
572.3764038085938	680.0
572.7781372070312	140.0
573.3793334960938	304.0
573.6961059570312	196.0
574.2056274414062	124.0
574.3792724609375	200.0
574.4526977539062	200.0
575.7340698242188	156.0
575.8400268554688	148.0
576.0422973632812	204.0
576.3704223632812	124.0
576.6177978515625	136.0
576.998046875	156.0
577.5145263671875	148.0
578.6486206054688	176.0
578.97900390625	268.0
579.08935546875	96.0
579.2903442382812	148.0
579.543701171875	104.0
579.6595458984375	148.0
580.175048828125	124.0
580.40625	96.0
580.5084228515625	228.0
580.7560424804688	176.0
580.9105834960938	256.0
581.0906982421875	124.0
581.2142333984375	112.0
581.6640014648438	112.0
581.7357177734375	160.0
581.8197631835938	152.0
581.9393310546875	156.0
582.1200561523438	152.0
582.2236938476562	112.0
582.2808227539062	184.0
583.2745361328125	120.0
583.3225708007812	128.0
583.56298828125	160.0
583.8482666015625	148.0
583.9253540039062	112.0
584.1089477539062	168.0
584.1734008789062	124.0
584.477783203125	148.0
584.7084350585938	164.0
584.9444580078125	100.0
584.9842529296875	172.0
585.12353515625	184.0
585.4443359375	232.0
585.51953125	116.0
585.5712890625	168.0
585.630615234375	104.0
585.8216552734375	116.0
585.9732055664062	140.0
586.150146484375	296.0
586.3317260742188	156.0
586.4113159179688	148.0
586.4965209960938	408.0
586.6118774414062	224.0
586.8045654296875	208.0
586.8541870117188	208.0
587.1234130859375	140.0
587.1568603515625	156.0
587.460205078125	224.0
587.6868286132812	240.0
587.80517578125	172.0
588.0172119140625	112.0
588.1448364257812	220.0
588.2157592773438	224.0
588.2590942382812	140.0
588.36962890625	432.0
588.4542846679688	184.0
588.5740966796875	216.0
588.7074584960938	276.0
588.8704223632812	108.0
588.9288330078125	180.0
588.968994140625	276.0
589.0181274414062	220.0
589.0851440429688	204.0
589.1370849609375	128.0
589.24169921875	132.0
589.28271484375	508.0
589.392822265625	144.0
589.4554443359375	192.0
589.539794921875	244.0
589.5986938476562	160.0
589.6707763671875	200.0
589.753662109375	188.0
589.810546875	300.0
589.8637084960938	168.0
589.9758911132812	128.0
590.0238037109375	492.0
590.0771484375	400.0
590.1442260742188	248.0
590.200439453125	508.0
590.2230224609375	388.0
590.2483520507812	380.0
590.3264770507812	844.0
590.39306640625	218556.0
590.529296875	332.0
590.6642456054688	188.0
590.7508544921875	96.0
590.853515625	228.0
590.910888671875	220.0
590.989501953125	304.0
591.0552978515625	124.0
591.1244506835938	156.0
591.1911010742188	2904.0
591.240966796875	468.0
591.3270263671875	856.0
591.3947143554688	120040.0
591.5673217773438	320.0
591.6695556640625	284.0
591.707763671875	128.0
591.7931518554688	116.0
591.8590087890625	164.0
591.9260864257812	208.0
591.9744873046875	292.0
592.09228515625	100.0
592.1317749023438	272.0
592.3956298828125	23176.0
592.4869384765625	332.0
592.6204833984375	264.0
592.6905517578125	200.0
592.838134765625	128.0
592.9105224609375	236.0
593.0043334960938	144.0
593.1940307617188	144.0
593.3980712890625	3684.0
593.5266723632812	340.0
593.6221313476562	164.0
593.67626953125	100.0
593.734130859375	148.0
593.8383178710938	144.0
593.9362182617188	268.0
594.0284423828125	108.0
594.076904296875	96.0
594.15185546875	152.0
594.2297973632812	268.0
594.3220825195312	160.0
594.4083251953125	920.0
594.5248413085938	168.0
594.6087036132812	148.0
594.68603515625	240.0
594.7176513671875	224.0
594.7919921875	316.0
594.8455810546875	268.0
594.8661499023438	160.0
594.9343872070312	192.0
594.965576171875	376.0
595.0440063476562	104.0
595.1544799804688	148.0
595.4090576171875	232.0
595.4639282226562	184.0
595.545654296875	216.0
595.6162109375	244.0
595.69921875	176.0
595.7342529296875	160.0
595.9864501953125	208.0
596.0060424804688	100.0
596.0232543945312	100.0
596.1837768554688	116.0
596.3097534179688	128.0
596.3980712890625	168.0
596.8754272460938	204.0
596.9945068359375	176.0
597.670166015625	96.0
598.08056640625	128.0
598.4888916015625	96.0
599.5550537109375	200.0
600.1166381835938	136.0
600.3155517578125	144.0
603.0615234375	164.0
604.6683349609375	144.0
605.9627075195312	104.0
606.7305297851562	156.0
608.1594848632812	116.0
608.5663452148438	96.0
608.82861328125	100.0
609.41552734375	128.0
611.280517578125	148.0
611.4320068359375	108.0
612.0711669921875	156.0
612.7930297851562	144.0
613.1965942382812	104.0
613.5443115234375	184.0
613.9711303710938	100.0
614.63525390625	124.0
617.5858764648438	104.0
618.9371948242188	156.0
619.2218627929688	168.0
619.9848022460938	236.0
620.6390991210938	140.0
622.7929077148438	152.0
624.1356201171875	136.0
624.8658447265625	148.0
626.8724365234375	168.0
629.2050170898438	140.0
631.7804565429688	180.0
631.9818115234375	96.0
632.8314208984375	144.0
634.705322265625	160.0
636.0097045898438	144.0
637.6420288085938	180.0
641.1494750976562	208.0
645.1018676757812	196.0
647.9510498046875	140.0
648.9261474609375	120.0
649.0095825195312	144.0
650.6969604492188	272.0
651.3854370117188	152.0
656.091552734375	120.0
658.1596069335938	144.0
659.8500366210938	116.0
660.4227905273438	188.0
660.56201171875	108.0
662.8424072265625	120.0
663.698974609375	96.0
665.2753295898438	156.0
667.16064453125	172.0
667.8291625976562	156.0
670.0322875976562	140.0
670.0838623046875	140.0
670.4393920898438	188.0
672.264892578125	248.0
672.4315185546875	100.0
674.4519653320312	104.0
679.2080688476562	140.0
680.116455078125	108.0
680.6144409179688	180.0
680.65576171875	100.0
680.8642578125	108.0
681.6450805664062	152.0
681.7340698242188	164.0
681.8880615234375	144.0
681.980712890625	184.0
683.9520263671875	164.0
684.1967163085938	240.0
684.5924072265625	152.0
685.4744262695312	100.0
686.7604370117188	152.0
686.9586791992188	168.0
687.1038818359375	96.0
687.6891479492188	148.0
687.7935791015625	196.0
687.9327392578125	228.0
688.7713623046875	180.0
689.6007690429688	164.0
690.0939331054688	160.0
692.895751953125	104.0
694.3860473632812	176.0
695.2633056640625	152.0
695.3199462890625	168.0
695.8466186523438	96.0
698.18310546875	140.0
698.4508666992188	116.0
699.0845947265625	156.0
699.61181640625	136.0
699.7301025390625	172.0
700.0652465820312	204.0
701.06689453125	136.0
702.0562133789062	96.0
702.7577514648438	128.0
703.070068359375	100.0
703.9205932617188	132.0
704.7599487304688	96.0
707.6910400390625	124.0
709.3289184570312	156.0
709.482666015625	148.0
710.2939453125	156.0
710.7767333984375	144.0
710.9253540039062	140.0
711.0499267578125	116.0
713.1878051757812	140.0
714.2264404296875	176.0
714.3948364257812	152.0
715.3036499023438	104.0
716.45654296875	6828.0
717.138427734375	212.0
717.4594116210938	3212.0
717.5529174804688	192.0
717.76416015625	116.0
718.085693359375	208.0
718.4655151367188	936.0
718.6502685546875	116.0
719.0288696289062	116.0
719.4620361328125	256.0
720.7125854492188	188.0
720.959716796875	96.0
722.6266479492188	188.0
725.6419677734375	160.0
726.1353149414062	168.0
727.2459106445312	168.0
727.4015502929688	168.0
727.6590576171875	116.0
729.2708129882812	184.0
729.46533203125	148.0
730.069580078125	128.0
730.4808349609375	196.0
730.9146728515625	100.0
731.4868774414062	164.0
732.7505493164062	280.0
732.9140625	148.0
733.3699951171875	100.0
733.5056762695312	144.0
733.560791015625	164.0
734.159912109375	124.0
734.545654296875	124.0
735.2554321289062	100.0
735.384521484375	172.0
735.5674438476562	160.0
735.9415283203125	124.0
736.7638549804688	100.0
737.01220703125	108.0
737.3497924804688	204.0
737.4982299804688	192.0
737.7173461914062	172.0
737.8265380859375	240.0
738.256591796875	164.0
738.3583374023438	168.0
738.4234008789062	132.0
738.48876953125	104.0
738.594970703125	108.0
738.6674194335938	228.0
738.8613891601562	264.0
738.9915771484375	176.0
739.114990234375	100.0
739.1812744140625	128.0
739.3505859375	104.0
739.4104614257812	128.0
739.471923828125	160.0
739.7601928710938	116.0
739.8849487304688	160.0
739.9380493164062	164.0
740.108642578125	160.0
740.4445190429688	256.0
740.6864013671875	148.0
740.926513671875	132.0
741.0045166015625	108.0
741.1482543945312	128.0
741.4232177734375	172.0
741.5089721679688	96.0
741.57373046875	124.0
741.6810913085938	156.0
741.8153686523438	164.0
742.036865234375	324.0
742.1072998046875	200.0
742.2053833007812	108.0
742.2872314453125	220.0
742.3618774414062	172.0
742.465087890625	136.0
742.6192016601562	124.0
742.6831665039062	412.0
742.8161010742188	216.0
742.9320068359375	168.0
743.0271606445312	248.0
743.1050415039062	148.0
743.2036743164062	136.0
743.33935546875	172.0
743.4022216796875	96.0
743.462890625	168.0
743.6454467773438	264.0
743.6788940429688	212.0
743.7350463867188	112.0
743.798583984375	120.0
743.8585205078125	168.0
743.9535522460938	248.0
744.0261840820312	140.0
744.0923461914062	236.0
744.1638793945312	152.0
744.2531127929688	128.0
744.307373046875	240.0
744.3716430664062	196.0
744.4190673828125	292.0
744.4411010742188	236.0
744.4863891601562	248.0
744.5479736328125	100.0
744.6353759765625	240.0
744.7805786132812	168.0
744.8370971679688	236.0
744.9312133789062	232.0
745.0479736328125	244.0
745.072265625	212.0
745.1273803710938	132.0
745.187255859375	300.0
745.220947265625	456.0
745.3089599609375	280.0
745.3544921875	180.0
745.416748046875	132.0
745.4532470703125	216.0
745.5140380859375	184.0
745.6452026367188	428.0
745.7083129882812	240.0
745.7645874023438	448.0
745.8724975585938	236.0
745.9400024414062	164.0
745.9725341796875	232.0
746.0546264648438	220.0
746.068359375	264.0
746.14013671875	436.0
746.2133178710938	160.0
746.281005859375	340.0
746.3190307617188	280.0
746.3553466796875	300.0
746.43505859375	316.0
746.48193359375	140.0
746.5244140625	428.0
746.63818359375	384.0
746.7503051757812	176.0
746.8365478515625	384.0
746.9265747070312	180.0
747.0458984375	240.0
747.1348266601562	268.0
747.2035522460938	192.0
747.2998657226562	164.0
747.4114990234375	312.0
747.51171875	348.0
747.5465698242188	176.0
747.63916015625	176.0
747.683837890625	348.0
747.7636108398438	276.0
747.831787109375	352.0
747.8746948242188	296.0
747.955322265625	292.0
748.0012817382812	256.0
748.06982421875	356.0
748.0928955078125	344.0
748.2028198242188	880.0
748.2230834960938	212.0
748.2459716796875	604.0
748.3660278320312	1168.0
748.4873657226562	242420.0
748.621826171875	272.0
748.6834716796875	444.0
748.8458251953125	232.0
748.8892211914062	248.0
748.9840087890625	624.0
749.0361328125	800.0
749.0947875976562	384.0
749.2406616210938	276.0
749.3134155273438	320.0
749.3919677734375	7656.0
749.4895629882812	187628.0
749.61865234375	180.0
749.6695556640625	112.0
749.7708129882812	152.0
749.8654174804688	396.0
749.9932250976562	384.0
750.197509765625	276.0
750.2103881835938	244.0
750.3177490234375	444.0
750.3865966796875	2812.0
750.490234375	55160.0
750.6461181640625	168.0
750.6856689453125	220.0
750.7586669921875	320.0
750.8116455078125	264.0
750.9013061523438	248.0
750.981689453125	280.0
751.0260620117188	220.0
751.0931396484375	116.0
751.207275390625	376.0
751.2777709960938	444.0
751.3742065429688	248.0
751.4922485351562	9332.0
751.662353515625	116.0
751.7373046875	228.0
751.9093627929688	172.0
752.0121459960938	220.0
752.1026611328125	112.0
752.3551635742188	156.0
752.4067993164062	184.0
752.5001220703125	1756.0
752.5621948242188	396.0
752.6284790039062	184.0
752.6753540039062	108.0
752.7369995117188	132.0
752.804443359375	264.0
752.8670043945312	300.0
752.9563598632812	240.0
753.0060424804688	204.0
753.1029663085938	472.0
753.1451416015625	212.0
753.2503662109375	332.0
753.325439453125	396.0
753.3989868164062	444.0
753.4613037109375	496.0
753.5145263671875	300.0
753.7003784179688	176.0
753.758544921875	248.0
753.83447265625	164.0
754.0546264648438	152.0
754.15234375	148.0
754.2396850585938	308.0
754.3582153320312	180.0
754.4642944335938	128.0
754.552001953125	152.0
754.61474609375	184.0
754.7384033203125	220.0
754.84228515625	104.0
754.8839111328125	140.0
755.0176391601562	160.0
755.2889404296875	208.0
755.4241943359375	156.0
755.52978515625	244.0
755.6578369140625	228.0
756.1851196289062	160.0
756.431884765625	124.0
756.7833251953125	120.0
756.8758544921875	132.0
757.134765625	96.0
759.141357421875	132.0
759.2694702148438	156.0
759.6558837890625	112.0
760.8955688476562	112.0
761.2758178710938	172.0
763.1688842773438	136.0
765.2747192382812	148.0
766.7157592773438	132.0
766.78955078125	144.0
768.6299438476562	128.0
768.7362670898438	144.0
769.2213134765625	140.0
769.6766967773438	108.0
770.7479248046875	120.0
771.20263671875	116.0
772.4456787109375	112.0
772.7097778320312	120.0
775.2449951171875	140.0
775.8961181640625	120.0
776.8065795898438	112.0
779.5692138671875	120.0
780.3889770507812	96.0
786.2396850585938	104.0
787.3113403320312	164.0
787.6519775390625	144.0
788.5322265625	112.0
797.6388549804688	112.0
827.5982666015625	188.0
841.6624145507812	156.0
844.7312622070312	152.0
860.9562377929688	180.0
866.5025634765625	112.0
871.5354614257812	100.0
883.082275390625	164.0
894.4871826171875	104.0
926.9840698242188	216.0
935.3633422851562	120.0
947.21630859375	132.0
960.22509765625	120.0
963.6802978515625	144.0
971.1273193359375	140.0
977.7315673828125	148.0
993.5463256835938	144.0
1020.3345336914062	120.0
1022.5977172851562	96.0
1078.6866455078125	100.0
1087.7364501953125	96.0
1135.54541015625	152.0
1160.2470703125	128.0
1162.8492431640625	140.0
1170.469970703125	176.0
1192.3951416015625	140.0
1194.3890380859375	244.0
1209.8463134765625	144.0
1213.525146484375	164.0
1216.1126708984375	148.0
1229.4124755859375	144.0
1231.1995849609375	140.0
1264.4677734375	180.0
1274.826171875	116.0
1297.98583984375	176.0
1302.44970703125	204.0
1310.982421875	216.0
1327.7689208984375	176.0
1334.6602783203125	184.0
1339.580078125	208.0
1341.71533203125	148.0
1344.127685546875	180.0
1353.333984375	220.0
1359.7093505859375	224.0
1359.9736328125	184.0
1361.41259765625	168.0
1376.83349609375	208.0
1380.683837890625	164.0
1383.4215087890625	164.0
1387.562744140625	172.0
1389.46875	140.0
1396.9644775390625	156.0
1404.42822265625	184.0
1404.6668701171875	176.0
1412.4278564453125	200.0
1415.2567138671875	184.0
1418.748046875	216.0
1419.895263671875	172.0
1420.7503662109375	152.0
1423.3111572265625	124.0
1424.42431640625	144.0
1426.6304931640625	144.0
1428.33740234375	156.0
1440.62451171875	196.0
1448.537109375	172.0
1454.9146728515625	156.0
1465.257568359375	176.0
1466.9722900390625	220.0
1470.2977294921875	152.0
1483.461181640625	188.0
1489.3619384765625	160.0
1491.254638671875	192.0
1492.966552734375	188.0
1493.6048583984375	172.0
1494.443359375	144.0
1496.305908203125	148.0
1497.992431640625	180.0
1499.2637939453125	140.0
1505.5279541015625	144.0
1505.890869140625	188.0
1506.1689453125	144.0
1506.6015625	160.0
1509.561767578125	144.0
1510.5130615234375	152.0
1512.7880859375	152.0
1514.60009765625	152.0
1514.685302734375	188.0
1515.7698974609375	164.0
1519.5614013671875	200.0
1521.7034912109375	152.0
1522.2935791015625	188.0
1522.6322021484375	168.0
1523.7694091796875	152.0
1527.0809326171875	148.0
1534.1043701171875	172.0
1540.6282958984375	232.0
1540.8782958984375	164.0
1549.437255859375	144.0
1552.1412353515625	148.0
1557.187255859375	148.0
1565.9881591796875	156.0
1567.24072265625	176.0
1571.0723876953125	140.0
1575.7269287109375	196.0
1585.3360595703125	172.0
1585.415283203125	164.0
1585.50244140625	152.0
1598.8284912109375	144.0
1602.2161865234375	180.0
1603.8460693359375	156.0
1603.909912109375	160.0
1605.9591064453125	144.0
1607.5855712890625	144.0
1610.5166015625	172.0
1611.4910888671875	168.0
1611.95458984375	168.0
1612.06640625	152.0
1612.64990234375	176.0
1612.86572265625	200.0
1617.216796875	152.0
1618.057373046875	148.0
1619.5628662109375	224.0
1620.387939453125	172.0
1623.74658203125	164.0
1624.0794677734375	180.0
1624.27587890625	168.0
1626.2769775390625	172.0
1626.8677978515625	164.0
1628.0802001953125	172.0
1637.4200439453125	212.0
1646.8616943359375	168.0
1648.0087890625	184.0
1655.3209228515625	264.0
1655.4505615234375	176.0
1660.5399169921875	148.0
1660.7021484375	176.0
1660.775146484375	168.0
1667.9041748046875	216.0
1668.0938720703125	100.0
1671.3768310546875	180.0
1671.49072265625	140.0
1672.56494140625	168.0
1675.455810546875	140.0
1676.7677001953125	156.0
1677.7376708984375	176.0
1679.707763671875	196.0
1680.9267578125	164.0
1687.420166015625	176.0
1691.829833984375	156.0
1694.0654296875	252.0
1697.6962890625	168.0
1700.067138671875	140.0
1701.42138671875	196.0
1701.758056640625	176.0
1702.2342529296875	164.0
1704.049560546875	152.0
1705.742431640625	176.0
1705.997314453125	160.0
1706.1534423828125	180.0
1706.3343505859375	168.0
1708.9168701171875	168.0
1710.974365234375	164.0
1711.6839599609375	148.0
1716.841064453125	196.0
1717.8060302734375	180.0
1718.0452880859375	292.0
1718.9197998046875	168.0
1720.0174560546875	168.0
1721.0576171875	152.0
1721.315185546875	140.0
1725.3043212890625	204.0
1725.8582763671875	152.0
1727.330322265625	208.0
1727.82666015625	144.0
1728.56298828125	188.0
1734.144775390625	180.0
1735.1063232421875	140.0
1737.4678955078125	100.0
1737.8458251953125	152.0
1738.7227783203125	192.0
1742.3348388671875	160.0
1744.0394287109375	148.0
1745.609619140625	164.0
1745.875732421875	152.0
1750.2611083984375	184.0
1751.501953125	172.0
1756.59912109375	136.0
1759.32373046875	168.0
1760.9996337890625	120.0
1766.318115234375	200.0
1767.137939453125	208.0
1767.596435546875	176.0
1767.757080078125	196.0
1770.636962890625	164.0
1771.3070068359375	188.0
1773.0496826171875	152.0
1773.3681640625	200.0
1774.26513671875	184.0
1774.46630859375	192.0
1774.7049560546875	164.0
1775.0113525390625	160.0
1775.230224609375	184.0
1775.6402587890625	144.0
1776.89013671875	228.0
1777.234130859375	160.0
1778.4425048828125	156.0
1783.9024658203125	164.0
1785.4578857421875	220.0
1785.6260986328125	144.0
1786.9971923828125	140.0
1787.2664794921875	264.0
1788.916015625	152.0
1789.4801025390625	212.0
1789.68212890625	144.0
1790.7515869140625	148.0
1791.0379638671875	140.0
1795.2098388671875	172.0
1800.408203125	204.0
1800.9149169921875	164.0
1801.316650390625	128.0
1802.224365234375	140.0
1802.40185546875	212.0
1803.4296875	236.0
1804.8953857421875	160.0
1806.1385498046875	164.0
1807.3990478515625	144.0
1809.057861328125	196.0
1810.1416015625	172.0
1810.3109130859375	180.0
1810.6326904296875	164.0
1813.5218505859375	156.0
1814.2835693359375	144.0
1816.13330078125	168.0
1818.6956787109375	192.0
1819.009765625	156.0
1822.0074462890625	180.0
1822.6787109375	256.0
1822.89111328125	180.0
1823.330810546875	108.0
1823.4520263671875	144.0
1825.1776123046875	168.0
1825.6368408203125	180.0
1825.8919677734375	188.0
1826.8701171875	156.0
1827.0657958984375	164.0
1827.9251708984375	200.0
1829.370361328125	180.0
1829.738037109375	184.0
1830.070068359375	144.0
1830.648681640625	140.0
1832.4464111328125	140.0
1838.0181884765625	160.0
1838.295654296875	144.0
1838.867431640625	180.0
1839.4136962890625	180.0
1839.575927734375	200.0
1840.4967041015625	144.0
1841.018798828125	160.0
1844.316650390625	176.0
1845.0946044921875	184.0
1846.744873046875	164.0
1847.155517578125	148.0
1849.77392578125	168.0
1850.7156982421875	176.0
1851.668212890625	148.0
1853.0281982421875	144.0
1859.01318359375	140.0
1861.433837890625	164.0
1861.6142578125	144.0
1863.8046875	160.0
1863.9249267578125	168.0
1864.5264892578125	164.0
1867.423828125	144.0
1871.0521240234375	160.0
1873.6817626953125	176.0
1873.8282470703125	172.0
1875.715576171875	144.0
1876.6551513671875	148.0
1877.6640625	232.0
1878.2333984375	200.0
1878.474853515625	204.0
1882.9718017578125	152.0
1884.716796875	152.0
1885.2093505859375	160.0
1894.181396484375	184.0
1896.16552734375	144.0
1896.6805419921875	144.0
1897.45703125	168.0
1898.3240966796875	188.0
1898.4368896484375	196.0
1900.206298828125	168.0
1903.148681640625	144.0
1904.21337890625	124.0
1905.310302734375	112.0
1905.49365234375	164.0
1907.0057373046875	148.0
1908.851318359375	144.0
1909.54443359375	168.0
1909.6922607421875	160.0
1910.544677734375	224.0
1911.510498046875	148.0
1911.701904296875	168.0
1914.6357421875	176.0
1914.9578857421875	144.0
1916.508544921875	140.0
1916.708984375	144.0
1919.111572265625	112.0
1919.3587646484375	144.0
1919.846435546875	148.0
1920.420654296875	116.0
1921.9232177734375	176.0
1922.069091796875	216.0
1922.2808837890625	184.0
1922.4991455078125	180.0
1924.414306640625	160.0
1925.8876953125	152.0
1926.017578125	176.0
1926.209716796875	148.0
1926.600341796875	128.0
1926.9522705078125	148.0
1927.3350830078125	204.0
1928.7489013671875	208.0
1929.250732421875	156.0
1929.9764404296875	176.0
1930.5694580078125	132.0
1932.44287109375	160.0
1933.24658203125	180.0
1933.55419921875	208.0
1934.0531005859375	140.0
1934.552001953125	216.0
1935.6220703125	196.0
1936.5233154296875	152.0
1937.967529296875	148.0
1938.449462890625	196.0
1940.237548828125	160.0
1941.7720947265625	196.0
1943.34228515625	156.0
1943.5440673828125	196.0
1945.27294921875	176.0
1945.8436279296875	160.0
1947.5296630859375	140.0
1947.722900390625	208.0
1948.2762451171875	140.0
1949.683349609375	200.0
1949.962158203125	172.0
1951.0181884765625	140.0
1954.254638671875	140.0
1956.8070068359375	180.0
1960.3533935546875	192.0
1961.80224609375	196.0
1963.90966796875	160.0
1964.2271728515625	200.0
1965.74462890625	204.0
1967.9337158203125	196.0
1968.587158203125	164.0
1970.318359375	188.0
1972.607177734375	156.0
1974.1455078125	140.0
1974.84423828125	140.0
1976.4896240234375	176.0
1976.578125	156.0
1978.9857177734375	148.0
1979.0565185546875	168.0
1979.48291015625	152.0
1979.826904296875	192.0
1983.432861328125	168.0
1984.9222412109375	272.0
1985.1412353515625	132.0
1985.9893798828125	168.0
1986.87353515625	168.0
1989.5181884765625	184.0
1993.8958740234375	136.0
1995.36376953125	200.0
1996.057373046875	164.0
1997.9874267578125	172.0
1998.076416015625	148.0
2000.2833251953125	176.0
2001.5474853515625	140.0
2001.859130859375	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000078999
PEPMASS=770.473145
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=40.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=CLARITHROMYCIN [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
INCHI=InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
INCHIAUX=AGOYDEPGAOXOCK-KCBOHYOISA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000078999
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078999
SCANS=1211
52.021705627441406	156.0
79.19026184082031	152.0
104.32127380371094	180.0
109.06546783447266	1184.0
109.10115814208984	160.0
110.07206726074219	200.0
116.1079330444336	196.0
126.69963836669922	228.0
127.07715606689453	144.0
128.06764221191406	184.0
135.11734008789062	188.0
171.09921264648438	152.0
174.11651611328125	536.0
174.73443603515625	156.0
175.1146240234375	148.0
177.1182098388672	144.0
215.1271514892578	352.0
226.11253356933594	180.0
233.99119567871094	152.0
257.0403747558594	152.0
257.0914306640625	240.0
269.1945495605469	164.0
291.16796875	180.0
313.18212890625	172.0
320.23406982421875	216.0
375.2501220703125	144.0
388.2178955078125	156.0
436.3013916015625	156.0
437.2499694824219	184.0
455.2633972167969	312.0
464.29937744140625	112.0
473.2816467285156	160.0
498.30169677734375	276.0
499.30572509765625	228.0
518.36328125	156.0
519.7598876953125	148.0
520.3272705078125	148.0
532.4163208007812	160.0
533.3897705078125	180.0
540.3513793945312	160.0
550.3726196289062	524.0
551.3673095703125	212.0
556.3086547851562	252.0
558.3363647460938	104.0
575.8842163085938	212.0
580.3494262695312	96.0
594.3605346679688	160.0
595.3327026367188	528.0
596.3355712890625	136.0
610.5697631835938	160.0
612.3720703125	2172.0
612.681396484375	160.0
613.3707885742188	704.0
614.3638305664062	296.0
656.3870239257812	136.0
677.802490234375	152.0
680.4840698242188	148.0
681.8554077148438	140.0
684.998046875	144.0
702.4751586914062	176.0
725.41015625	216.0
738.1979370117188	148.0
739.4353637695312	124.0
752.4391479492188	264.0
752.4774169921875	164.0
759.5258178710938	140.0
765.813720703125	160.0
769.0005493164062	164.0
769.442138671875	140.0
770.3468627929688	140.0
770.4642944335938	16196.0
770.7044067382812	140.0
771.2191772460938	100.0
771.4688110351562	6996.0
771.60888671875	120.0
771.6822509765625	144.0
771.88623046875	100.0
772.0997924804688	144.0
772.450927734375	4496.0
772.5975341796875	120.0
772.6737670898438	124.0
773.4501342773438	1528.0
773.5618896484375	128.0
773.6127319335938	208.0
773.91943359375	104.0
774.1338500976562	220.0
774.2774658203125	128.0
774.459228515625	1032.0
775.1912841796875	124.0
775.2762451171875	148.0
775.3430786132812	104.0
775.512451171875	116.0
776.5859985351562	144.0
804.32275390625	140.0
1570.0377197265625	140.0
1831.5333251953125	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079000
PEPMASS=318.210266
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=NATEGLINIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc2ccccc2)C(=O)O
INCHI=InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1
INCHIAUX=OELFLUMRDSZNSF-BRWVUGGUSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079000
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079000
SCANS=1971
53.923736572265625	192.0
54.8602294921875	164.0
57.50960159301758	212.0
58.30322265625	172.0
59.051795959472656	172.0
60.01311492919922	168.0
66.6587142944336	168.0
88.22640991210938	192.0
94.66413879394531	164.0
95.03048706054688	164.0
103.0566635131836	324.0
105.062744140625	148.0
107.04735565185547	204.0
107.09210205078125	200.0
109.86565399169922	160.0
118.37957763671875	240.0
119.91116333007812	164.0
120.08113861083984	6496.0
121.08541107177734	648.0
125.1327896118164	4416.0
127.8855209350586	148.0
149.05865478515625	156.0
153.12831115722656	1140.0
165.99647521972656	160.0
166.02723693847656	212.0
166.08653259277344	11836.0
166.14984130859375	140.0
166.23574829101562	244.0
167.08998107910156	1284.0
168.09652709960938	164.0
201.61849975585938	192.0
272.200439453125	1112.0
273.2084655761719	172.0
286.0999450683594	140.0
289.0836486816406	140.0
296.0658264160156	184.0
300.1939697265625	752.0
316.2580871582031	192.0
317.20050048828125	128.0
317.9699401855469	148.0
318.2071533203125	5468.0
318.27166748046875	192.0
319.2085266113281	1324.0
320.21563720703125	268.0
320.9640197753906	140.0
321.2419128417969	252.0
321.2773132324219	120.0
327.0051574707031	164.0
1443.9140625	140.0
1729.2684326171875	144.0
1757.3895263671875	176.0
1835.8153076171875	176.0
1923.985107421875	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079001
PEPMASS=322.155823
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_C2_D11_BC5_01_15719.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=FAMCICLOVIR [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(=O)C
INCHI=InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)
INCHIAUX=GGXKWVWZWMLJEH-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079001
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079001
SCANS=1013
45.14653396606445	196.0
45.46403503417969	180.0
45.73552703857422	144.0
45.83922576904297	140.0
46.49103927612305	180.0
46.643157958984375	156.0
46.89905548095703	152.0
50.144168853759766	164.0
50.29508590698242	144.0
51.06161117553711	200.0
51.44062423706055	160.0
51.549171447753906	152.0
52.688594818115234	160.0
53.10694122314453	172.0
53.30874252319336	148.0
53.83171081542969	176.0
53.96029281616211	172.0
54.645225524902344	188.0
56.03847122192383	204.0
56.235313415527344	188.0
56.65549850463867	160.0
57.18857192993164	184.0
57.751365661621094	148.0
59.973045349121094	148.0
60.32962417602539	272.0
61.312156677246094	160.0
62.71175003051758	184.0
63.58161926269531	180.0
63.68896484375	164.0
64.64297485351562	236.0
65.61151123046875	176.0
68.67407989501953	156.0
69.68720245361328	196.0
69.71378326416016	184.0
70.4001235961914	200.0
70.53044128417969	156.0
70.88021850585938	192.0
72.95794677734375	244.0
75.08464813232422	192.0
76.13687896728516	176.0
76.99720764160156	144.0
78.33023071289062	148.0
79.24711608886719	276.0
79.27546691894531	192.0
80.13548278808594	188.0
80.56544494628906	140.0
80.75670623779297	208.0
82.62934875488281	172.0
82.88101959228516	152.0
83.08226776123047	196.0
83.21046447753906	188.0
84.3259506225586	200.0
85.23307037353516	148.0
86.11734008789062	160.0
87.49697875976562	176.0
87.87718200683594	172.0
88.30309295654297	196.0
88.82379150390625	168.0
89.23130798339844	168.0
92.57858276367188	160.0
93.03299713134766	172.0
93.7388687133789	156.0
93.800537109375	156.0
93.86030578613281	208.0
93.97410583496094	160.0
94.03778839111328	156.0
94.44933319091797	156.0
95.45394134521484	144.0
95.6778335571289	168.0
97.84691619873047	168.0
99.61489868164062	236.0
100.147705078125	148.0
100.41903686523438	208.0
103.07609558105469	300.0
103.28934478759766	156.0
106.04427337646484	200.0
106.11602020263672	160.0
106.26984405517578	180.0
106.37451171875	168.0
106.4751205444336	264.0
106.92535400390625	176.0
107.49620056152344	160.0
107.9713363647461	196.0
108.19273376464844	216.0
108.44752502441406	176.0
109.05099487304688	932.0
111.16920471191406	160.0
111.24685668945312	244.0
111.51152038574219	200.0
112.79937744140625	156.0
112.9029769897461	156.0
113.49165344238281	144.0
113.66346740722656	160.0
114.96365356445312	160.0
115.22415161132812	156.0
115.26260375976562	176.0
115.28824615478516	176.0
115.50846862792969	216.0
116.3077163696289	172.0
116.38285827636719	176.0
116.88582611083984	140.0
117.04942321777344	184.0
117.84101104736328	148.0
118.56591033935547	152.0
118.7480239868164	176.0
119.03563690185547	520.0
119.0583724975586	220.0
119.16915130615234	140.0
119.39739227294922	188.0
119.43218994140625	144.0
120.09869384765625	176.0
120.22087097167969	164.0
121.0507583618164	472.0
121.25091552734375	184.0
121.51624298095703	172.0
122.9553451538086	228.0
125.00968933105469	152.0
127.07513427734375	372.0
128.74000549316406	172.0
129.86253356933594	172.0
130.43927001953125	144.0
131.04095458984375	112.0
131.055908203125	196.0
131.263427734375	200.0
131.32272338867188	148.0
131.74044799804688	156.0
133.0457763671875	148.0
133.07493591308594	436.0
134.61375427246094	168.0
135.05516052246094	180.0
135.8612823486328	172.0
135.9564208984375	164.0
136.00051879882812	156.0
136.06283569335938	54380.0
136.1117706298828	176.0
136.23605346679688	132.0
136.37245178222656	116.0
136.43402099609375	96.0
136.49339294433594	152.0
136.7442626953125	232.0
137.0634765625	2076.0
137.10525512695312	152.0
138.0667266845703	180.0
141.24227905273438	148.0
142.3479461669922	160.0
142.58425903320312	236.0
142.98855590820312	144.0
143.93734741210938	156.0
144.0596466064453	116.0
145.08615112304688	2024.0
145.10975646972656	140.0
145.9020233154297	144.0
146.01744079589844	144.0
147.0751495361328	144.0
148.06272888183594	5368.0
148.085205078125	648.0
148.3159942626953	180.0
149.0642547607422	784.0
149.0926513671875	152.0
149.9761199951172	176.0
150.0793914794922	164.0
150.22483825683594	144.0
150.52992248535156	160.0
150.60806274414062	208.0
151.07740783691406	280.0
151.10186767578125	140.0
153.41775512695312	184.0
155.0218505859375	148.0
155.05902099609375	220.0
155.4483642578125	160.0
155.56253051757812	148.0
155.65936279296875	160.0
155.77857971191406	300.0
156.36537170410156	152.0
157.33750915527344	184.0
158.07785034179688	136.0
159.0723419189453	148.0
160.0426483154297	172.0
160.08328247070312	452.0
160.6728515625	156.0
161.04139709472656	172.0
161.06874084472656	196.0
161.4305877685547	156.0
162.07424926757812	724.0
162.098876953125	148.0
163.0912322998047	180.0
163.28407287597656	152.0
163.44821166992188	180.0
165.65562438964844	176.0
167.85565185546875	268.0
168.48049926757812	172.0
169.04908752441406	176.0
169.22767639160156	176.0
170.3662109375	156.0
172.75149536132812	180.0
173.06658935546875	708.0
173.09959411621094	156.0
173.79420471191406	176.0
174.07838439941406	516.0
174.34828186035156	180.0
174.4586639404297	152.0
174.78480529785156	140.0
175.09910583496094	1380.0
175.5328826904297	160.0
176.10653686523438	500.0
176.82205200195312	212.0
178.0749053955078	368.0
179.07347106933594	152.0
180.04425048828125	172.0
180.7071533203125	200.0
181.54556274414062	160.0
181.5670166015625	180.0
183.06117248535156	344.0
183.2578125	156.0
183.45994567871094	168.0
184.49388122558594	168.0
184.89419555664062	148.0
185.08242797851562	756.0
186.07765197753906	1348.0
186.38023376464844	152.0
187.08880615234375	1460.0
188.0950469970703	488.0
188.94036865234375	208.0
189.1125030517578	208.0
190.10951232910156	704.0
190.38487243652344	184.0
191.11302185058594	268.0
191.27293395996094	144.0
191.40782165527344	176.0
191.71084594726562	172.0
192.89212036132812	152.0
193.1072235107422	284.0
193.4259796142578	152.0
197.21441650390625	220.0
197.88299560546875	212.0
200.0937957763672	656.0
201.0979461669922	532.0
201.9121551513672	144.0
202.0248565673828	176.0
202.109130859375	16656.0
202.61351013183594	180.0
202.82139587402344	176.0
203.1114959716797	1940.0
203.4151153564453	104.0
203.48521423339844	192.0
204.11358642578125	100.0
205.0696563720703	172.0
205.11526489257812	144.0
205.63438415527344	152.0
206.58438110351562	176.0
206.9579315185547	184.0
208.10882568359375	140.0
208.9497833251953	184.0
209.05624389648438	144.0
209.71575927734375	216.0
211.1796112060547	220.0
211.56735229492188	188.0
212.04510498046875	128.0
212.78787231445312	156.0
212.9621124267578	200.0
213.05215454101562	156.0
213.74412536621094	152.0
214.15460205078125	172.0
214.34979248046875	144.0
217.54653930664062	168.0
217.9106903076172	180.0
218.71646118164062	200.0
220.1199951171875	5420.0
220.43585205078125	148.0
220.82017517089844	212.0
221.05091857910156	144.0
221.1224365234375	640.0
221.27586364746094	160.0
222.0399932861328	156.0
222.12045288085938	204.0
222.21405029296875	196.0
224.8667449951172	192.0
224.9921112060547	168.0
225.21905517578125	168.0
225.93948364257812	192.0
227.9513397216797	156.0
228.5376739501953	152.0
233.24639892578125	160.0
234.37850952148438	232.0
235.117431640625	288.0
236.00538635253906	160.0
236.16439819335938	180.0
238.13009643554688	1416.0
239.13258361816406	504.0
239.76576232910156	148.0
240.13572692871094	140.0
240.18507385253906	144.0
241.23805236816406	148.0
242.5691375732422	184.0
243.0250244140625	144.0
243.07156372070312	188.0
243.2484588623047	188.0
244.4387969970703	148.0
245.34515380859375	160.0
246.253173828125	140.0
247.5572967529297	168.0
249.7730712890625	160.0
251.1060028076172	124.0
251.60394287109375	144.0
251.65130615234375	156.0
251.9955596923828	156.0
252.7037811279297	152.0
252.9759521484375	148.0
253.1405792236328	172.0
253.6443328857422	152.0
254.09463500976562	148.0
254.5834503173828	152.0
255.15855407714844	144.0
256.4158935546875	188.0
256.8877868652344	168.0
256.97711181640625	144.0
257.85845947265625	176.0
257.919189453125	192.0
258.2133483886719	176.0
259.5583190917969	152.0
260.8360900878906	148.0
262.06396484375	168.0
262.1317443847656	14232.0
262.3232421875	152.0
263.1339416503906	2064.0
264.1395263671875	184.0
264.775634765625	164.0
264.8678894042969	140.0
264.9090576171875	184.0
265.0250549316406	236.0
265.13958740234375	140.0
265.21624755859375	192.0
265.6604919433594	168.0
268.95355224609375	140.0
269.9696350097656	204.0
270.4832763671875	292.0
270.9089660644531	196.0
271.4563293457031	188.0
271.9156188964844	156.0
272.0895690917969	220.0
274.62335205078125	140.0
275.2239685058594	140.0
276.2650451660156	200.0
276.6025695800781	160.0
276.9071960449219	228.0
278.13726806640625	152.0
278.4427185058594	164.0
279.0475158691406	176.0
279.4026794433594	116.0
279.9259033203125	204.0
280.02105712890625	188.0
280.14166259765625	11352.0
280.22076416015625	108.0
281.1450500488281	1604.0
281.2227478027344	172.0
281.5098876953125	204.0
282.14398193359375	380.0
283.9226989746094	212.0
284.6911926269531	200.0
287.9039001464844	196.0
290.19329833984375	144.0
293.4723205566406	156.0
293.7042236328125	196.0
295.1043701171875	184.0
295.6413879394531	148.0
295.7337951660156	200.0
297.5025329589844	140.0
298.3888854980469	176.0
298.6742858886719	148.0
300.8659362792969	164.0
301.9440002441406	184.0
303.8768615722656	180.0
304.42877197265625	164.0
305.158447265625	160.0
306.8749084472656	236.0
307.12249755859375	144.0
308.2501525878906	148.0
308.5752258300781	160.0
309.94024658203125	176.0
310.45904541015625	144.0
313.17926025390625	236.0
317.07275390625	148.0
317.88128662109375	140.0
318.48126220703125	140.0
318.79034423828125	168.0
319.09356689453125	136.0
319.1829528808594	208.0
319.42181396484375	144.0
319.4552307128906	176.0
319.5157165527344	180.0
319.6480712890625	120.0
319.92022705078125	156.0
320.0150146484375	136.0
320.0673828125	144.0
320.1350402832031	168.0
320.193359375	96.0
320.25714111328125	100.0
320.7015075683594	180.0
320.7478332519531	140.0
320.7906188964844	172.0
320.857421875	104.0
320.91064453125	132.0
321.00634765625	188.0
321.09326171875	100.0
321.16265869140625	248.0
321.23992919921875	192.0
321.2889404296875	140.0
321.3477478027344	244.0
321.426025390625	140.0
321.46112060546875	160.0
321.4869079589844	140.0
321.53875732421875	156.0
321.65570068359375	152.0
321.7016296386719	148.0
321.74505615234375	160.0
321.91375732421875	236.0
321.9535827636719	192.0
322.0073547363281	600.0
322.05389404296875	216.0
322.0818786621094	712.0
322.1112365722656	340.0
322.1537780761719	180456.0
322.27978515625	236.0
322.3601989746094	108.0
322.40618896484375	216.0
322.48223876953125	324.0
322.5180969238281	192.0
322.59320068359375	228.0
322.7413635253906	3348.0
322.7733459472656	224.0
322.8345031738281	240.0
322.8773193359375	300.0
322.9232177734375	132.0
322.9558410644531	192.0
323.0754089355469	284.0
323.1553955078125	39572.0
323.2786560058594	164.0
323.33184814453125	140.0
323.48284912109375	180.0
323.7445373535156	100.0
323.93841552734375	132.0
324.0136413574219	108.0
324.1567687988281	4412.0
324.2313232421875	172.0
324.3470153808594	144.0
324.4709777832031	104.0
324.49530029296875	204.0
324.55743408203125	176.0
324.6573486328125	152.0
324.8249816894531	180.0
324.8907165527344	112.0
324.96563720703125	124.0
324.9913330078125	160.0
325.03515625	160.0
325.0722351074219	96.0
325.1590576171875	240.0
325.262939453125	228.0
325.3115539550781	160.0
325.3468933105469	352.0
325.3567199707031	232.0
325.4331359863281	108.0
325.49774169921875	164.0
325.5378112792969	136.0
325.5936584472656	200.0
325.8658752441406	124.0
325.98028564453125	216.0
326.0202331542969	132.0
326.18328857421875	140.0
326.2629089355469	180.0
326.4583740234375	212.0
326.8252868652344	144.0
326.8594665527344	120.0
327.42840576171875	96.0
328.3368225097656	144.0
334.5686950683594	132.0
334.7137756347656	120.0
334.9363098144531	100.0
338.36737060546875	148.0
349.7597961425781	152.0
656.43505859375	164.0
1088.052490234375	216.0
1093.0673828125	204.0
1179.627197265625	148.0
1188.7166748046875	160.0
1220.94970703125	152.0
1252.05810546875	164.0
1299.7017822265625	148.0
1300.70654296875	152.0
1350.874755859375	152.0
1375.87548828125	184.0
1390.2496337890625	176.0
1400.1072998046875	172.0
1402.9461669921875	192.0
1485.779052734375	168.0
1495.0147705078125	160.0
1511.1339111328125	140.0
1524.0511474609375	224.0
1546.85498046875	168.0
1562.5423583984375	156.0
1582.154052734375	176.0
1584.038818359375	168.0
1671.663818359375	156.0
1679.6553955078125	176.0
1681.9083251953125	184.0
1734.8350830078125	176.0
1736.510009765625	160.0
1750.4132080078125	172.0
1752.76220703125	148.0
1752.8956298828125	172.0
1761.6142578125	188.0
1782.56005859375	196.0
1786.427490234375	200.0
1801.32275390625	208.0
1832.4403076171875	148.0
1839.279541015625	208.0
1844.3447265625	184.0
1872.59033203125	152.0
1880.6258544921875	176.0
1884.848876953125	164.0
1906.034912109375	200.0
1916.3367919921875	156.0
1919.0386962890625	256.0
1920.3729248046875	228.0
1922.24853515625	156.0
1924.3433837890625	160.0
1924.4482421875	144.0
1947.945068359375	192.0
1966.2237548828125	204.0
1970.250244140625	148.0
1998.408203125	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079002
PEPMASS=275.205597
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=19-Nortestosterone [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]2CC[C@@H]1O
INCHI=InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
INCHIAUX=NPAGDVCDWIYMMC-IZPLOLCNSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079002
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079002
SCANS=1351
45.03148651123047	172.0
45.095619201660156	236.0
45.1919059753418	144.0
45.24544143676758	232.0
45.36198806762695	148.0
45.48539733886719	216.0
45.773109436035156	252.0
45.826988220214844	184.0
46.09280014038086	156.0
46.38920211791992	164.0
46.567138671875	176.0
46.95484161376953	152.0
46.978031158447266	152.0
47.38132095336914	224.0
47.46493148803711	144.0
47.58979415893555	164.0
47.77670669555664	140.0
47.934871673583984	188.0
48.46981430053711	176.0
48.69732666015625	140.0
48.823638916015625	172.0
48.91006088256836	244.0
49.007545471191406	144.0
49.52583312988281	160.0
50.47816848754883	136.0
51.15397262573242	140.0
51.17817687988281	164.0
51.410526275634766	156.0
51.49522399902344	184.0
51.66275405883789	188.0
51.69919967651367	148.0
51.77793884277344	176.0
52.051841735839844	148.0
52.09780502319336	144.0
52.12510299682617	184.0
52.422977447509766	188.0
52.98649597167969	200.0
53.20112991333008	168.0
53.337772369384766	188.0
53.65357208251953	148.0
53.71919631958008	172.0
53.729408264160156	152.0
53.901695251464844	164.0
54.051082611083984	124.0
54.49806213378906	144.0
54.56272888183594	156.0
54.66421890258789	180.0
55.57444381713867	164.0
55.93855285644531	212.0
56.01002883911133	144.0
56.44608688354492	156.0
56.8277702331543	196.0
56.881797790527344	164.0
57.194454193115234	156.0
57.27275085449219	148.0
57.808712005615234	196.0
58.03094482421875	168.0
58.09355926513672	160.0
58.230167388916016	152.0
58.259029388427734	216.0
58.310691833496094	172.0
58.62114715576172	180.0
58.64248275756836	172.0
58.9278450012207	144.0
59.12910461425781	260.0
59.30889129638672	156.0
59.58818435668945	256.0
59.613136291503906	184.0
59.79269790649414	260.0
60.3897819519043	148.0
60.425201416015625	196.0
60.9649658203125	152.0
61.293304443359375	144.0
61.50384521484375	232.0
61.90094757080078	144.0
62.084293365478516	196.0
62.238075256347656	180.0
62.288333892822266	144.0
62.30718231201172	140.0
62.340179443359375	168.0
62.56982421875	144.0
62.62826156616211	180.0
62.84721755981445	156.0
63.110992431640625	180.0
63.269203186035156	160.0
63.48310852050781	164.0
63.50372314453125	196.0
63.67989730834961	164.0
64.01651000976562	164.0
64.4988784790039	244.0
64.57242584228516	212.0
64.6604232788086	212.0
64.7036361694336	148.0
65.18803405761719	188.0
65.83302307128906	176.0
66.46208190917969	212.0
66.69757080078125	164.0
67.36239624023438	140.0
67.6265869140625	160.0
67.89105987548828	196.0
68.11756134033203	228.0
68.28521728515625	152.0
68.3806381225586	148.0
68.48436737060547	188.0
69.5359115600586	172.0
69.93980407714844	144.0
71.14168548583984	188.0
71.96755981445312	140.0
72.0460205078125	248.0
72.71995544433594	144.0
72.93736267089844	164.0
73.04788970947266	148.0
73.1202392578125	116.0
73.17212677001953	140.0
73.30497741699219	220.0
73.37086486816406	208.0
73.51302337646484	140.0
73.91458892822266	168.0
74.06803131103516	208.0
74.20577239990234	164.0
74.30524444580078	196.0
74.32240295410156	216.0
74.36530303955078	212.0
74.38761901855469	172.0
74.75714111328125	240.0
75.0879135131836	168.0
75.11895751953125	156.0
76.00129699707031	180.0
76.37828063964844	144.0
76.55406188964844	168.0
76.5679931640625	140.0
76.6463851928711	176.0
76.97955322265625	184.0
77.1124038696289	192.0
77.50432586669922	148.0
77.93771362304688	180.0
78.00689697265625	176.0
78.7692642211914	148.0
78.79877471923828	108.0
79.34971618652344	148.0
79.47582244873047	160.0
79.52888488769531	152.0
79.8789291381836	208.0
80.34387969970703	176.0
80.40454864501953	160.0
80.52237701416016	156.0
80.65637969970703	152.0
80.8048095703125	160.0
80.87818145751953	148.0
81.32268524169922	152.0
81.4124526977539	160.0
81.64427947998047	152.0
81.93587493896484	144.0
82.6356430053711	156.0
82.65809631347656	192.0
82.70807647705078	208.0
83.7291488647461	148.0
83.7856216430664	140.0
83.94601440429688	144.0
84.00933074951172	168.0
84.14307403564453	176.0
84.2471694946289	204.0
85.04164123535156	156.0
85.2108154296875	208.0
85.4295883178711	148.0
85.78543090820312	236.0
85.81633758544922	172.0
86.13343811035156	116.0
86.8296890258789	164.0
86.85194396972656	160.0
86.91337585449219	176.0
87.10810089111328	148.0
87.2060317993164	220.0
87.49862670898438	192.0
87.55076599121094	328.0
87.99641418457031	228.0
88.0113525390625	144.0
88.52932739257812	148.0
88.62297821044922	164.0
89.3683853149414	152.0
89.66402435302734	184.0
89.91863250732422	208.0
90.07345581054688	140.0
90.41757202148438	192.0
90.63155364990234	208.0
90.82112884521484	152.0
91.05489349365234	916.0
91.08686828613281	216.0
91.3671646118164	116.0
91.5506591796875	108.0
91.74910736083984	160.0
92.02574157714844	152.0
92.1002197265625	196.0
92.38695526123047	216.0
92.46731567382812	328.0
92.74120330810547	192.0
92.96559143066406	208.0
93.07061767578125	924.0
93.21907043457031	208.0
93.74249267578125	244.0
94.04334259033203	152.0
94.072998046875	244.0
94.32921600341797	156.0
94.34661865234375	204.0
94.38141632080078	204.0
94.4471664428711	148.0
94.53423309326172	184.0
95.04967498779297	192.0
95.08614349365234	1196.0
95.54707336425781	168.0
96.01996612548828	160.0
96.09140014648438	228.0
96.15306854248047	168.0
96.32684326171875	140.0
96.89220428466797	196.0
97.06675720214844	280.0
97.11566925048828	144.0
97.25890350341797	172.0
97.64006805419922	192.0
97.99832916259766	144.0
98.4638671875	172.0
98.6936264038086	104.0
98.869140625	208.0
98.95227813720703	184.0
99.07390594482422	212.0
99.29905700683594	196.0
99.46770477294922	144.0
99.52726745605469	248.0
99.71996307373047	184.0
99.75971221923828	140.0
100.0840072631836	140.0
100.76812744140625	156.0
100.926025390625	148.0
101.17611694335938	176.0
101.39043426513672	324.0
101.88203430175781	188.0
101.95034790039062	200.0
102.21981048583984	208.0
102.90108489990234	204.0
103.0531997680664	420.0
103.252685546875	160.0
103.83393096923828	140.0
103.8643569946289	264.0
104.09440612792969	184.0
104.36393737792969	132.0
104.40257263183594	184.0
104.95441436767578	196.0
105.07071685791016	2808.0
105.1080322265625	192.0
105.82072448730469	196.0
105.90058898925781	152.0
105.96247100830078	116.0
106.07503509521484	524.0
106.11780548095703	156.0
106.29252624511719	220.0
106.37629699707031	224.0
106.4769058227539	144.0
106.56934356689453	140.0
106.90245819091797	248.0
106.9456787109375	168.0
107.04830169677734	2668.0
107.08634948730469	2700.0
107.31442260742188	176.0
107.89778900146484	172.0
108.05594635009766	120.0
108.08921813964844	180.0
108.23594665527344	176.0
108.26908111572266	140.0
108.44039916992188	116.0
108.79782104492188	172.0
108.85387420654297	168.0
108.88087463378906	156.0
108.93121337890625	168.0
109.06517028808594	19952.0
109.10011291503906	1212.0
109.20093536376953	184.0
109.32242584228516	164.0
109.44773864746094	156.0
110.06830596923828	1656.0
110.10507202148438	176.0
110.5151596069336	164.0
110.63236236572266	180.0
110.82024383544922	96.0
110.85914611816406	160.0
110.88241577148438	148.0
111.07836151123047	388.0
111.20989227294922	176.0
111.2548828125	168.0
111.53646850585938	140.0
111.68154907226562	172.0
111.86251068115234	212.0
111.92356872558594	180.0
112.08255767822266	216.0
112.9344253540039	240.0
113.0971908569336	164.0
113.39810180664062	216.0
113.48501586914062	272.0
113.6186294555664	152.0
114.1113510131836	176.0
114.13473510742188	176.0
114.7244873046875	156.0
115.0513916015625	284.0
115.26232147216797	200.0
115.84211730957031	168.0
115.92567443847656	172.0
116.05868530273438	156.0
116.3868637084961	184.0
116.48780059814453	148.0
116.61457824707031	152.0
116.74141693115234	148.0
116.80593872070312	144.0
117.06938171386719	1304.0
117.18698120117188	188.0
117.22576904296875	140.0
117.45214080810547	144.0
117.94012451171875	180.0
117.97039031982422	152.0
118.10012817382812	200.0
118.49411010742188	168.0
119.03636169433594	140.0
119.08582305908203	3108.0
119.37969970703125	148.0
119.41667175292969	204.0
120.0220718383789	164.0
120.08662414550781	268.0
120.6727294921875	156.0
121.0637435913086	668.0
121.10186767578125	2512.0
121.43477630615234	180.0
121.72665405273438	204.0
122.0716552734375	196.0
122.10491943359375	284.0
123.08018493652344	932.0
123.11487579345703	140.0
123.15119171142578	308.0
123.36808776855469	184.0
123.69180297851562	176.0
123.72516632080078	116.0
124.08869934082031	144.0
124.120849609375	172.0
124.36931610107422	152.0
124.69802856445312	140.0
125.09547424316406	336.0
125.30106353759766	144.0
125.61238098144531	184.0
125.66670227050781	172.0
125.70240020751953	204.0
125.93011474609375	152.0
126.09991455078125	144.0
126.16697692871094	160.0
126.457763671875	144.0
126.66375732421875	180.0
126.67943572998047	208.0
127.62203216552734	272.0
127.73897552490234	164.0
128.0613250732422	632.0
128.08787536621094	168.0
128.35382080078125	152.0
128.59068298339844	148.0
128.83229064941406	172.0
128.9791717529297	152.0
129.0703887939453	1100.0
129.23472595214844	220.0
130.07894897460938	304.0
130.34121704101562	168.0
130.5594482421875	148.0
130.80517578125	156.0
130.83932495117188	168.0
131.0855712890625	3116.0
131.18344116210938	216.0
131.59396362304688	168.0
132.0915985107422	132.0
132.7676544189453	108.0
132.843505859375	160.0
132.96511840820312	180.0
133.0613555908203	444.0
133.1013641357422	3548.0
133.24525451660156	152.0
133.4521026611328	148.0
133.60618591308594	172.0
134.07107543945312	328.0
134.10691833496094	144.0
134.39183044433594	160.0
134.80397033691406	220.0
135.0800323486328	2724.0
135.1165008544922	4468.0
135.24855041503906	200.0
135.7032470703125	172.0
136.0835723876953	316.0
136.12168884277344	712.0
136.39968872070312	156.0
136.67877197265625	140.0
136.92552185058594	180.0
137.09756469726562	636.0
137.12054443359375	164.0
137.1608428955078	160.0
137.43370056152344	172.0
137.77410888671875	220.0
138.4341583251953	172.0
138.49972534179688	144.0
139.10939025878906	152.0
139.6404266357422	160.0
139.88983154296875	200.0
140.0688018798828	168.0
141.0692901611328	1072.0
141.29397583007812	148.0
141.5614471435547	224.0
142.07774353027344	1148.0
142.42471313476562	196.0
142.69325256347656	184.0
142.85719299316406	196.0
143.0596160888672	196.0
143.08511352539062	6304.0
143.46697998046875	184.0
143.89401245117188	168.0
143.95848083496094	188.0
144.04019165039062	132.0
144.09051513671875	372.0
144.43887329101562	176.0
144.7164764404297	164.0
145.0159149169922	156.0
145.0422821044922	172.0
145.06321716308594	360.0
145.10171508789062	14008.0
145.1563720703125	120.0
145.94012451171875	156.0
146.1063232421875	2008.0
146.1590118408203	144.0
146.18788146972656	180.0
146.43344116210938	172.0
147.0819091796875	1604.0
147.11654663085938	5848.0
147.20274353027344	216.0
147.3774871826172	164.0
147.76107788085938	204.0
148.0467071533203	192.0
148.09031677246094	160.0
148.12074279785156	760.0
148.56539916992188	176.0
148.61390686035156	212.0
148.80564880371094	220.0
148.8566436767578	156.0
149.09625244140625	3816.0
149.13197326660156	3844.0
149.39134216308594	172.0
150.10028076171875	392.0
150.13735961914062	768.0
151.0550079345703	196.0
151.10992431640625	188.0
151.61570739746094	140.0
152.11605834960938	196.0
152.17005920410156	168.0
152.44515991210938	160.0
152.60247802734375	196.0
152.76971435546875	160.0
153.07025146484375	184.0
153.136474609375	152.0
153.87130737304688	152.0
153.9923095703125	204.0
154.082763671875	156.0
154.1726531982422	176.0
154.8975830078125	152.0
155.02890014648438	148.0
155.0856170654297	1936.0
155.25201416015625	176.0
155.9024200439453	180.0
156.0934295654297	608.0
156.42970275878906	208.0
156.86480712890625	164.0
157.0601348876953	160.0
157.1015625	4528.0
157.182373046875	140.0
157.4994354248047	164.0
157.52940368652344	140.0
157.65933227539062	168.0
157.85931396484375	204.0
158.1039581298828	708.0
158.24464416503906	156.0
158.6103973388672	156.0
158.655517578125	224.0
159.08218383789062	316.0
159.1171875	3576.0
159.72024536132812	148.0
160.08517456054688	220.0
160.1211700439453	492.0
160.1959991455078	176.0
160.38497924804688	144.0
160.46817016601562	232.0
161.05361938476562	156.0
161.0959014892578	5192.0
161.13211059570312	4532.0
161.51617431640625	160.0
161.5364227294922	148.0
161.6781005859375	176.0
161.73377990722656	144.0
161.91860961914062	236.0
161.99713134765625	156.0
162.04736328125	140.0
162.1016387939453	548.0
162.1345977783203	412.0
162.22012329101562	148.0
162.2733612060547	184.0
162.55491638183594	168.0
162.7706756591797	164.0
162.94085693359375	192.0
163.02259826660156	116.0
163.1119842529297	5212.0
163.14952087402344	212.0
163.32215881347656	148.0
164.11558532714844	1192.0
165.08958435058594	320.0
165.1296844482422	568.0
165.40682983398438	180.0
165.9986572265625	152.0
166.07815551757812	156.0
166.4246063232422	148.0
167.08221435546875	448.0
167.11085510253906	168.0
167.24725341796875	140.0
167.35252380371094	196.0
167.51504516601562	196.0
167.79852294921875	164.0
167.85781860351562	168.0
168.09530639648438	476.0
168.29388427734375	164.0
169.10012817382812	2920.0
169.21173095703125	168.0
169.29718017578125	164.0
170.1060791015625	308.0
170.19956970214844	208.0
170.24632263183594	172.0
170.36318969726562	172.0
170.68026733398438	152.0
170.9956512451172	208.0
171.11668395996094	2840.0
172.01678466796875	216.0
172.12290954589844	756.0
172.4373016357422	176.0
173.09852600097656	352.0
173.1309356689453	1112.0
174.10580444335938	148.0
174.13204956054688	272.0
174.537109375	160.0
174.81068420410156	192.0
175.11135864257812	2960.0
175.14894104003906	1400.0
175.67555236816406	216.0
176.11761474609375	428.0
176.15223693847656	432.0
176.19493103027344	196.0
176.3394012451172	188.0
177.12686157226562	1520.0
177.35499572753906	104.0
177.4043426513672	152.0
177.5926055908203	140.0
178.1306610107422	152.0
178.3652801513672	164.0
179.13172912597656	96.0
179.74749755859375	176.0
179.82489013671875	192.0
180.02195739746094	180.0
180.24415588378906	152.0
180.87530517578125	268.0
180.97703552246094	240.0
181.1015625	360.0
181.9583282470703	160.0
182.10842895507812	116.0
182.42308044433594	248.0
182.8054962158203	128.0
182.94764709472656	196.0
183.1171875	5536.0
184.0260467529297	144.0
184.0632781982422	96.0
184.1214599609375	672.0
184.5150604248047	152.0
184.88021850585938	248.0
184.96141052246094	172.0
185.03858947753906	156.0
185.08035278320312	188.0
185.1325225830078	5636.0
185.1644744873047	176.0
185.39134216308594	124.0
185.59805297851562	180.0
186.1351776123047	740.0
186.2792510986328	156.0
187.10951232910156	568.0
187.14834594726562	7972.0
187.3292694091797	140.0
187.3782958984375	140.0
187.72552490234375	132.0
187.8764190673828	168.0
188.11643981933594	964.0
188.15274047851562	1164.0
188.19378662109375	192.0
188.44427490234375	124.0
188.79493713378906	172.0
188.9453887939453	140.0
189.04115295410156	140.0
189.12796020507812	1144.0
189.15476989746094	644.0
189.23626708984375	140.0
190.1317596435547	136.0
190.16590881347656	152.0
190.477783203125	156.0
190.58218383789062	152.0
190.7168426513672	176.0
190.9752960205078	156.0
191.03305053710938	160.0
191.14073181152344	384.0
192.14602661132812	164.0
192.9248046875	204.0
193.01051330566406	184.0
193.15802001953125	316.0
193.35076904296875	172.0
193.71070861816406	144.0
194.32337951660156	160.0
194.4038543701172	176.0
194.9314727783203	168.0
195.11752319335938	388.0
195.4349822998047	144.0
195.5015411376953	160.0
195.5738983154297	240.0
195.71029663085938	156.0
196.12692260742188	116.0
196.7512969970703	144.0
196.9121856689453	156.0
197.02671813964844	148.0
197.13308715820312	4060.0
197.23277282714844	168.0
197.63473510742188	136.0
198.13902282714844	376.0
199.11431884765625	180.0
199.14859008789062	7356.0
199.45138549804688	264.0
199.70742797851562	176.0
199.7346649169922	156.0
199.80499267578125	160.0
200.15171813964844	1584.0
201.12646484375	3240.0
201.1586456298828	244.0
201.1999969482422	164.0
201.23106384277344	156.0
201.297607421875	204.0
202.13192749023438	640.0
202.75570678710938	140.0
203.036376953125	180.0
203.05735778808594	120.0
203.14308166503906	4248.0
203.17868041992188	172.0
203.2040557861328	176.0
203.86631774902344	160.0
204.06997680664062	148.0
204.1447296142578	552.0
204.3828582763672	172.0
204.55645751953125	196.0
204.693115234375	144.0
205.16043090820312	484.0
205.48834228515625	164.0
205.63673400878906	188.0
205.77374267578125	164.0
205.83370971679688	212.0
206.16014099121094	308.0
206.73414611816406	160.0
207.12066650390625	156.0
207.16746520996094	148.0
207.2401885986328	172.0
208.25074768066406	120.0
208.9722900390625	184.0
209.13430786132812	360.0
210.13682556152344	104.0
210.18820190429688	200.0
210.2632293701172	144.0
210.71836853027344	232.0
210.83505249023438	140.0
211.14663696289062	1200.0
211.35354614257812	144.0
211.4713134765625	148.0
211.61026000976562	176.0
211.73477172851562	164.0
211.920166015625	156.0
212.0940399169922	144.0
212.15525817871094	364.0
212.97384643554688	180.0
213.16468811035156	2728.0
213.92404174804688	144.0
214.16448974609375	400.0
214.33470153808594	148.0
214.55335998535156	176.0
215.1418914794922	1164.0
215.17794799804688	1440.0
215.53395080566406	156.0
215.8400421142578	100.0
216.0316925048828	192.0
216.14544677734375	272.0
216.1876678466797	280.0
216.68380737304688	336.0
217.15847778320312	1020.0
217.28187561035156	268.0
217.63113403320312	156.0
218.1018524169922	140.0
218.15875244140625	156.0
218.8572235107422	168.0
219.14060974121094	204.0
219.17239379882812	192.0
219.3403778076172	156.0
220.09149169921875	180.0
220.1310577392578	152.0
220.84033203125	180.0
221.23980712890625	168.0
221.7374267578125	156.0
222.79672241210938	312.0
223.15438842773438	128.0
223.31988525390625	180.0
223.4418487548828	152.0
223.47457885742188	188.0
223.76951599121094	208.0
224.15464782714844	140.0
224.29054260253906	140.0
224.46047973632812	208.0
225.46649169921875	140.0
225.8402099609375	148.0
225.91200256347656	140.0
226.60055541992188	164.0
226.67247009277344	148.0
227.2151641845703	152.0
227.39520263671875	200.0
227.74649047851562	164.0
228.42881774902344	196.0
228.63641357421875	208.0
229.1608123779297	648.0
229.19549560546875	1256.0
229.67283630371094	152.0
229.81201171875	152.0
230.1592254638672	296.0
230.19561767578125	256.0
230.41845703125	144.0
231.17398071289062	2524.0
231.50735473632812	140.0
232.17808532714844	540.0
232.2288360595703	136.0
232.2832489013672	216.0
232.33786010742188	148.0
232.35910034179688	176.0
233.18502807617188	164.0
233.99417114257812	176.0
234.39317321777344	152.0
234.5577392578125	176.0
234.83216857910156	156.0
235.40895080566406	140.0
235.55555725097656	332.0
235.85806274414062	192.0
236.94134521484375	168.0
237.16152954101562	164.0
237.82449340820312	176.0
237.9564971923828	144.0
238.19168090820312	136.0
238.6262664794922	176.0
238.6969757080078	148.0
239.17982482910156	27860.0
239.4111328125	232.0
239.5579376220703	152.0
239.98785400390625	252.0
240.18399047851562	3660.0
240.46450805664062	148.0
240.61033630371094	144.0
241.00567626953125	180.0
241.18911743164062	324.0
241.37149047851562	96.0
241.7601776123047	144.0
241.8220672607422	152.0
242.09759521484375	140.0
242.17013549804688	148.0
242.7080535888672	176.0
242.72975158691406	208.0
243.03993225097656	144.0
246.29629516601562	152.0
246.45562744140625	212.0
246.9046173095703	132.0
247.0246124267578	156.0
248.6162567138672	180.0
249.8448028564453	180.0
250.13746643066406	196.0
250.48699951171875	156.0
250.65875244140625	224.0
251.36105346679688	132.0
251.5149383544922	168.0
252.23512268066406	192.0
252.26040649414062	144.0
253.06080627441406	168.0
253.5022735595703	180.0
253.6310272216797	144.0
254.10452270507812	140.0
255.17141723632812	132.0
255.33827209472656	120.0
255.9055938720703	168.0
256.0018615722656	136.0
256.3110046386719	100.0
256.51922607421875	104.0
256.63201904296875	196.0
256.814208984375	128.0
257.0042419433594	160.0
257.0396423339844	152.0
257.0754089355469	168.0
257.13922119140625	160.0
257.1907653808594	40260.0
257.4114990234375	172.0
257.49993896484375	112.0
257.5475769042969	164.0
257.69805908203125	140.0
257.99847412109375	200.0
258.1950988769531	7660.0
258.44622802734375	156.0
258.63800048828125	96.0
258.961181640625	116.0
259.1976623535156	616.0
259.3076477050781	152.0
259.88165283203125	148.0
260.1247253417969	188.0
260.2117919921875	136.0
260.24755859375	152.0
261.67828369140625	184.0
261.842529296875	204.0
261.9131774902344	124.0
261.98101806640625	148.0
262.2581481933594	168.0
262.3258361816406	168.0
262.40228271484375	180.0
262.42578125	180.0
262.7353820800781	156.0
264.1405944824219	180.0
266.0070495605469	148.0
267.2680358886719	164.0
267.7726135253906	156.0
267.9810791015625	160.0
268.8321228027344	172.0
268.8708190917969	160.0
269.8306884765625	168.0
270.5841064453125	176.0
271.4327087402344	176.0
271.5966796875	148.0
271.8020935058594	184.0
272.28265380859375	200.0
272.4074401855469	204.0
273.0975341796875	180.0
273.1611328125	184.0
273.2203369140625	200.0
273.3018798828125	124.0
273.3331604003906	236.0
273.41876220703125	236.0
273.674072265625	100.0
273.88201904296875	112.0
273.9375	108.0
273.98333740234375	100.0
274.0227966308594	240.0
274.0461120605469	348.0
274.1072082519531	212.0
274.1487121582031	320.0
274.1981506347656	168.0
274.2321472167969	304.0
274.2972412109375	276.0
274.33538818359375	244.0
274.3944396972656	168.0
274.43389892578125	196.0
274.5386962890625	148.0
274.573486328125	284.0
274.6167297363281	184.0
274.65081787109375	144.0
274.7089538574219	252.0
274.74005126953125	124.0
274.75225830078125	244.0
274.8418884277344	112.0
274.8991394042969	216.0
274.96136474609375	140.0
274.98101806640625	372.0
275.0116882324219	164.0
275.06793212890625	248.0
275.13055419921875	392.0
275.203125	209472.0
275.3111877441406	156.0
275.42236328125	288.0
275.4697570800781	320.0
275.50518798828125	228.0
275.5185241699219	248.0
275.5682373046875	204.0
275.630126953125	120.0
275.7100830078125	608.0
275.74578857421875	6896.0
275.7783203125	272.0
275.82684326171875	288.0
275.876220703125	196.0
275.9708251953125	108.0
276.0162658691406	380.0
276.0497131347656	220.0
276.0997009277344	96.0
276.153564453125	192.0
276.2052917480469	80716.0
276.3157043457031	168.0
276.3619689941406	112.0
276.4170227050781	140.0
276.4525451660156	104.0
276.5031433105469	224.0
276.5464782714844	100.0
276.5972900390625	232.0
276.62420654296875	108.0
276.65533447265625	184.0
276.7103576660156	164.0
276.7586364746094	108.0
276.78863525390625	176.0
276.8172607421875	160.0
276.9455871582031	128.0
277.1052551269531	140.0
277.13751220703125	148.0
277.17095947265625	132.0
277.207763671875	6512.0
277.3186950683594	128.0
277.3460998535156	108.0
277.4178161621094	156.0
277.5604553222656	124.0
277.5843505859375	264.0
277.6767272949219	256.0
277.707275390625	124.0
277.74505615234375	216.0
277.81219482421875	156.0
277.8802185058594	212.0
277.9144592285156	348.0
277.97576904296875	504.0
278.0126037597656	172.0
278.0489807128906	180.0
278.115478515625	364.0
278.1568298339844	176.0
278.2113342285156	604.0
278.2931823730469	104.0
278.3284912109375	108.0
278.3565979003906	136.0
278.3880920410156	104.0
278.43109130859375	112.0
278.484619140625	300.0
278.73992919921875	96.0
278.9814758300781	104.0
279.01690673828125	324.0
279.0738525390625	120.0
279.21478271484375	100.0
279.2763977050781	112.0
279.31396484375	108.0
279.55499267578125	128.0
279.748779296875	156.0
281.6561279296875	144.0
284.6419372558594	96.0
286.0673828125	108.0
286.6632080078125	112.0
287.362060546875	132.0
287.6466064453125	140.0
288.32696533203125	136.0
293.2135925292969	256.0
316.2236633300781	108.0
318.23724365234375	96.0
470.44732666015625	112.0
502.392578125	148.0
864.922119140625	172.0
946.7265625	144.0
1210.4127197265625	184.0
1222.2127685546875	184.0
1261.3682861328125	284.0
1268.5107421875	180.0
1317.51806640625	200.0
1345.6534423828125	244.0
1370.723876953125	140.0
1375.7540283203125	172.0
1377.1422119140625	140.0
1384.0640869140625	184.0
1399.619873046875	192.0
1416.977783203125	200.0
1422.8125	216.0
1443.0791015625	148.0
1448.3914794921875	196.0
1455.33056640625	140.0
1468.716796875	208.0
1472.37255859375	180.0
1475.22265625	152.0
1480.609130859375	152.0
1492.457275390625	156.0
1498.2989501953125	176.0
1516.907470703125	140.0
1524.373779296875	160.0
1542.0487060546875	164.0
1550.0152587890625	212.0
1555.0028076171875	176.0
1572.404052734375	184.0
1579.2303466796875	176.0
1585.7701416015625	152.0
1595.0885009765625	220.0
1600.0206298828125	164.0
1606.4278564453125	160.0
1609.7640380859375	184.0
1612.632080078125	228.0
1617.5191650390625	200.0
1633.029052734375	204.0
1634.734619140625	176.0
1637.656982421875	144.0
1637.955078125	140.0
1650.03564453125	172.0
1657.1416015625	184.0
1664.6038818359375	152.0
1666.1226806640625	240.0
1668.04052734375	156.0
1668.2762451171875	160.0
1674.378662109375	208.0
1678.2738037109375	184.0
1680.8187255859375	152.0
1687.5572509765625	216.0
1701.953125	164.0
1702.2652587890625	176.0
1702.3719482421875	168.0
1707.82080078125	188.0
1710.1492919921875	172.0
1711.449951171875	144.0
1713.6160888671875	160.0
1723.30224609375	196.0
1726.2862548828125	152.0
1733.4300537109375	160.0
1735.643310546875	152.0
1744.6514892578125	212.0
1757.0267333984375	164.0
1764.71875	144.0
1767.571044921875	204.0
1774.12060546875	168.0
1779.732177734375	140.0
1782.39599609375	156.0
1785.1363525390625	200.0
1786.1455078125	220.0
1792.4007568359375	144.0
1792.493408203125	140.0
1796.6163330078125	144.0
1798.46435546875	184.0
1798.8779296875	168.0
1800.6763916015625	160.0
1800.769287109375	180.0
1801.20849609375	188.0
1814.647216796875	212.0
1815.113525390625	172.0
1815.7919921875	252.0
1820.5614013671875	140.0
1823.5093994140625	280.0
1832.42724609375	212.0
1836.3228759765625	160.0
1836.4593505859375	216.0
1836.90283203125	148.0
1837.51708984375	152.0
1838.3447265625	160.0
1843.767578125	216.0
1846.913818359375	140.0
1847.05078125	148.0
1847.6922607421875	156.0
1851.998046875	200.0
1852.2978515625	180.0
1852.9918212890625	164.0
1853.5487060546875	220.0
1864.0087890625	168.0
1864.4727783203125	184.0
1866.2435302734375	204.0
1868.9443359375	168.0
1869.8736572265625	184.0
1873.4556884765625	176.0
1874.9893798828125	292.0
1878.2139892578125	164.0
1879.4993896484375	160.0
1886.6160888671875	180.0
1889.8939208984375	176.0
1896.302001953125	176.0
1902.0526123046875	200.0
1905.8824462890625	156.0
1911.725830078125	224.0
1911.8829345703125	228.0
1919.9193115234375	172.0
1927.9024658203125	180.0
1935.2152099609375	160.0
1939.8934326171875	164.0
1943.313720703125	228.0
1947.720703125	144.0
1949.565673828125	152.0
1953.1263427734375	144.0
1954.25244140625	188.0
1960.9449462890625	160.0
1963.775146484375	212.0
1965.0277099609375	236.0
1979.8424072265625	188.0
1980.09033203125	180.0
1997.06005859375	152.0
1997.211181640625	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079003
PEPMASS=305.069885
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TAXIFOLIN-(+/-) [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=O[C@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
INCHI=InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15-/m1/s1
INCHIAUX=CXQWRCVTCMQVQX-HUUCEWRRSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079003
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079003
SCANS=1099
45.53647994995117	160.0
48.345245361328125	188.0
49.380332946777344	184.0
50.44900131225586	188.0
60.28782272338867	148.0
60.351200103759766	188.0
62.387413024902344	184.0
64.06969451904297	172.0
64.13981628417969	176.0
73.99170684814453	184.0
81.87294006347656	156.0
86.04153442382812	204.0
92.53252410888672	152.0
95.0459213256836	148.0
99.26547241210938	156.0
103.99654388427734	148.0
105.03340148925781	276.0
105.06672668457031	156.0
106.15280151367188	172.0
109.83634948730469	188.0
110.94255065917969	144.0
111.04460906982422	264.0
111.5660400390625	204.0
116.06730651855469	140.0
117.03118133544922	176.0
120.03313446044922	176.0
120.45216369628906	172.0
121.0302505493164	784.0
122.03882598876953	152.0
123.04476928710938	3556.0
124.05079650878906	360.0
126.36842346191406	196.0
127.0376205444336	288.0
129.07077026367188	152.0
130.57325744628906	180.0
133.02610778808594	160.0
133.06399536132812	156.0
133.13746643066406	140.0
133.50515747070312	184.0
135.33502197265625	192.0
136.05374145507812	168.0
137.0375213623047	268.0
139.03973388671875	1088.0
141.0695037841797	172.0
143.04075622558594	156.0
145.02809143066406	152.0
145.06631469726562	244.0
145.5582733154297	168.0
147.0460205078125	212.0
148.4831085205078	172.0
148.9175567626953	160.0
149.02426147460938	3372.0
149.8614044189453	176.0
150.0277862548828	936.0
151.0386962890625	324.0
153.0186309814453	8872.0
154.0208740234375	544.0
155.02516174316406	280.0
155.22988891601562	140.0
157.065673828125	296.0
160.05516052246094	144.0
160.67518615722656	232.0
161.0263671875	428.0
161.05950927734375	344.0
162.0238037109375	180.0
162.0682830810547	148.0
163.0375518798828	148.0
163.07534790039062	132.0
164.01515197753906	192.0
165.02076721191406	192.0
167.03443908691406	1256.0
167.11106872558594	152.0
168.03907775878906	312.0
169.0637664794922	144.0
169.34429931640625	180.0
170.16864013671875	160.0
175.07313537597656	296.0
177.02040100097656	156.0
178.60215759277344	184.0
179.0322723388672	756.0
180.03335571289062	148.0
183.04481506347656	156.0
185.01849365234375	148.0
185.06105041503906	784.0
186.0676727294922	208.0
189.05641174316406	196.0
193.12692260742188	140.0
195.030029296875	3764.0
196.0332794189453	172.0
197.0352783203125	140.0
197.05918884277344	196.0
198.06781005859375	156.0
198.12081909179688	220.0
199.8502655029297	176.0
201.7511444091797	184.0
203.03082275390625	340.0
203.07106018066406	292.0
204.0418243408203	148.0
206.7744903564453	156.0
208.7280731201172	184.0
208.88626098632812	144.0
213.05470275878906	1404.0
214.0580291748047	376.0
216.03125	204.0
217.0563201904297	136.0
221.3170623779297	140.0
225.11427307128906	148.0
230.95684814453125	196.0
231.0659942626953	4132.0
231.84999084472656	156.0
232.06973266601562	1096.0
233.07289123535156	172.0
241.05120849609375	1044.0
242.05416870117188	264.0
243.0630645751953	192.0
245.0440673828125	204.0
246.6184539794922	216.0
257.0428466796875	188.0
258.0542297363281	436.0
258.2226257324219	196.0
259.06146240234375	9576.0
260.06207275390625	1644.0
261.0595397949219	176.0
261.0815734863281	272.0
269.043701171875	236.0
270.0445251464844	148.0
273.0422668457031	380.0
277.06585693359375	164.0
285.0738220214844	172.0
286.7588806152344	160.0
287.0553283691406	5492.0
288.0555725097656	604.0
288.09271240234375	184.0
289.0572509765625	132.0
303.0518798828125	156.0
304.0534973144531	140.0
305.0659484863281	4772.0
305.1557312011719	100.0
306.0693359375	1252.0
307.072998046875	220.0
307.1849365234375	140.0
308.1621398925781	140.0
1511.047119140625	180.0
1576.7813720703125	156.0
1602.332275390625	140.0
1771.935546875	152.0
1792.4620361328125	144.0
1854.433837890625	144.0
1855.4195556640625	232.0
1873.9647216796875	160.0
1918.992919921875	164.0
1924.288818359375	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079004
PEPMASS=518.389709
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=35.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ORLISTAT [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
INCHI=InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
INCHIAUX=AHLBNYSZXLDEJQ-FWEHEUNISA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079004
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079004
SCANS=4420
45.86088943481445	148.0
47.02737045288086	164.0
51.147090911865234	180.0
52.923011779785156	140.0
53.509586334228516	144.0
54.26494216918945	140.0
56.87455368041992	164.0
57.488609313964844	180.0
58.95256423950195	200.0
61.13008499145508	140.0
61.276451110839844	188.0
61.52286148071289	176.0
62.05008316040039	204.0
63.62937927246094	176.0
64.2101821899414	156.0
64.90581512451172	176.0
65.82301330566406	200.0
67.36270904541016	204.0
69.84362030029297	140.0
74.82117462158203	140.0
75.65501403808594	232.0
75.76931762695312	164.0
77.86078643798828	180.0
78.93753051757812	180.0
85.45573425292969	172.0
92.29175567626953	184.0
93.05047607421875	144.0
93.70053100585938	196.0
97.09761047363281	128.0
99.98294830322266	148.0
101.86241149902344	224.0
103.57295227050781	164.0
104.87947082519531	176.0
106.15110778808594	156.0
106.21878814697266	156.0
108.08002471923828	156.0
108.34414672851562	160.0
108.42288970947266	172.0
109.08084106445312	180.0
111.46743774414062	132.0
112.92859649658203	216.0
113.7401123046875	188.0
119.35415649414062	160.0
120.88983154296875	176.0
122.53003692626953	220.0
125.02998352050781	144.0
125.58474731445312	140.0
128.87355041503906	148.0
129.8424072265625	184.0
130.0307159423828	200.0
131.30703735351562	264.0
132.44297790527344	156.0
138.9011993408203	184.0
139.14524841308594	184.0
139.77516174316406	140.0
144.2721405029297	144.0
149.3555450439453	152.0
149.98863220214844	152.0
150.53512573242188	196.0
150.64991760253906	212.0
152.64990234375	208.0
154.0848388671875	888.0
154.425537109375	172.0
155.0865478515625	144.0
158.185302734375	152.0
158.9722900390625	180.0
159.86187744140625	148.0
160.1010284423828	196.0
160.13375854492188	172.0
166.4253692626953	184.0
168.0933380126953	144.0
169.66848754882812	144.0
170.4341278076172	156.0
170.56666564941406	192.0
170.6030731201172	176.0
174.4643096923828	216.0
175.80496215820312	268.0
176.02671813964844	148.0
180.79318237304688	256.0
180.97787475585938	168.0
181.3368377685547	148.0
181.85179138183594	312.0
182.0803985595703	59552.0
182.15789794921875	160.0
182.34458923339844	108.0
182.40264892578125	140.0
182.5118865966797	96.0
183.0838165283203	4600.0
184.08541870117188	484.0
184.24295043945312	148.0
184.3979034423828	124.0
184.48806762695312	112.0
184.81883239746094	148.0
185.08950805664062	176.0
188.5825653076172	216.0
190.0778350830078	156.0
190.16290283203125	180.0
191.86009216308594	156.0
197.4664764404297	204.0
200.0908660888672	292.0
200.6666259765625	128.0
201.09510803222656	132.0
208.16555786132812	140.0
208.9818878173828	152.0
209.83729553222656	152.0
211.87188720703125	160.0
212.0950164794922	228.0
213.35775756835938	152.0
221.88072204589844	216.0
223.10516357421875	136.0
224.1068115234375	144.0
225.48545837402344	192.0
226.00877380371094	204.0
226.57164001464844	164.0
226.9541778564453	164.0
227.96986389160156	152.0
233.71827697753906	160.0
235.77357482910156	144.0
237.07418823242188	156.0
237.2397003173828	156.0
243.9385986328125	160.0
244.89385986328125	140.0
244.92811584472656	156.0
254.2823944091797	168.0
260.65667724609375	140.0
261.12603759765625	164.0
264.36505126953125	176.0
265.1260681152344	184.0
270.9980163574219	200.0
276.2623291015625	184.0
277.1529235839844	264.0
278.7090759277344	160.0
281.47039794921875	156.0
285.7674255371094	168.0
285.9525146484375	176.0
288.83734130859375	164.0
290.3241882324219	164.0
291.62109375	172.0
292.9174499511719	192.0
293.1763916015625	172.0
293.9864196777344	108.0
294.02215576171875	180.0
294.0733337402344	220.0
299.1498107910156	160.0
299.8974609375	144.0
300.6540222167969	160.0
301.2499084472656	144.0
302.63671875	144.0
304.0753173828125	224.0
305.13128662109375	148.0
305.57647705078125	180.0
305.68084716796875	148.0
306.5932312011719	140.0
308.1162109375	220.0
308.2578125	168.0
309.8607482910156	148.0
311.9368591308594	140.0
314.5762939453125	148.0
316.18450927734375	148.0
317.1985168457031	164.0
317.25537109375	228.0
320.3001403808594	264.0
320.3458557128906	176.0
320.5275573730469	144.0
321.3060302734375	152.0
324.53802490234375	160.0
325.1047668457031	164.0
327.8774719238281	176.0
328.8728942871094	164.0
329.7071838378906	148.0
330.8139953613281	152.0
331.2557678222656	156.0
332.09307861328125	144.0
334.10546875	140.0
334.32012939453125	228.0
335.40777587890625	172.0
336.7408752441406	164.0
337.888671875	144.0
338.3095397949219	156.0
339.32098388671875	140.0
340.8401794433594	140.0
342.1421813964844	148.0
345.8076171875	148.0
346.037109375	156.0
348.5555725097656	148.0
349.44793701171875	156.0
349.9392395019531	164.0
353.5001220703125	140.0
355.0660400390625	156.0
355.6663513183594	196.0
356.5226745605469	152.0
356.6993103027344	140.0
357.2784423828125	200.0
357.86553955078125	144.0
360.1432800292969	144.0
360.2716979980469	176.0
361.5610656738281	184.0
363.6113586425781	140.0
364.059326171875	160.0
368.875244140625	188.0
369.054931640625	152.0
369.4603271484375	164.0
373.33428955078125	144.0
373.7689514160156	168.0
375.0899353027344	264.0
375.6683654785156	156.0
376.1584167480469	160.0
377.6731262207031	248.0
380.52752685546875	196.0
380.65338134765625	184.0
381.48870849609375	140.0
381.8775329589844	148.0
382.37164306640625	148.0
382.95953369140625	180.0
385.7377014160156	144.0
386.089599609375	188.0
388.2591857910156	204.0
388.7338562011719	152.0
388.85943603515625	176.0
388.9928894042969	184.0
389.2677307128906	152.0
391.2414855957031	180.0
391.38714599609375	176.0
392.2794494628906	620.0
392.9006042480469	208.0
393.2781066894531	248.0
393.8106994628906	96.0
393.8914489746094	156.0
394.19171142578125	160.0
394.2904968261719	140.0
394.7016296386719	176.0
401.40838623046875	156.0
402.37396240234375	140.0
403.9884948730469	144.0
404.62078857421875	180.0
405.5862121582031	184.0
405.7705993652344	188.0
405.8267517089844	152.0
408.9239196777344	148.0
411.51593017578125	152.0
415.1617126464844	172.0
416.2208251953125	140.0
418.4245300292969	144.0
422.5061340332031	96.0
425.7929992675781	140.0
428.1048889160156	120.0
428.4488830566406	156.0
428.7468566894531	164.0
428.8371276855469	124.0
430.475341796875	176.0
433.8266906738281	172.0
433.9261779785156	224.0
434.2786560058594	172.0
436.3549499511719	188.0
436.87896728515625	156.0
440.1966247558594	152.0
440.69366455078125	144.0
445.20501708984375	144.0
445.7174987792969	236.0
446.9367980957031	160.0
447.47564697265625	148.0
450.4783020019531	220.0
451.99609375	180.0
452.2373046875	140.0
453.7326354980469	172.0
453.8979797363281	168.0
455.6933898925781	256.0
458.9195556640625	180.0
460.4344177246094	152.0
460.6992492675781	140.0
461.3103332519531	200.0
462.88275146484375	152.0
463.8787536621094	196.0
464.22174072265625	184.0
464.3718566894531	172.0
464.4833679199219	184.0
464.56915283203125	168.0
464.6678161621094	144.0
465.04974365234375	224.0
465.63604736328125	100.0
466.2397766113281	184.0
466.3518981933594	148.0
466.6673278808594	152.0
467.4391784667969	188.0
467.53814697265625	160.0
468.1451416015625	148.0
468.3159484863281	152.0
468.8387145996094	172.0
469.1257019042969	200.0
469.4058837890625	148.0
469.4430847167969	204.0
469.5877990722656	96.0
469.8402404785156	132.0
470.56732177734375	124.0
470.64337158203125	200.0
470.94903564453125	116.0
471.0727844238281	124.0
471.1194152832031	120.0
471.2753601074219	136.0
471.34808349609375	96.0
471.7067565917969	200.0
472.0635681152344	108.0
472.2558898925781	240.0
472.40478515625	204.0
472.7117919921875	152.0
472.9191589355469	156.0
472.9715881347656	128.0
473.1551818847656	152.0
473.22882080078125	256.0
473.293212890625	200.0
473.34429931640625	148.0
473.47723388671875	232.0
473.5361328125	188.0
473.6435241699219	184.0
473.7897033691406	268.0
473.9024658203125	176.0
473.9937438964844	116.0
474.0593566894531	144.0
474.0779724121094	164.0
474.09283447265625	124.0
474.1158752441406	216.0
474.1557312011719	360.0
474.1923828125	188.0
474.2507019042969	336.0
474.341552734375	876.0
474.39630126953125	172688.0
474.5050048828125	264.0
474.5601806640625	100.0
474.7008361816406	156.0
474.8064270019531	260.0
474.8596496582031	268.0
474.9591369628906	476.0
475.0018310546875	128.0
475.0256652832031	128.0
475.1109619140625	1896.0
475.1551513671875	304.0
475.1876220703125	392.0
475.2716064453125	200.0
475.3322448730469	276.0
475.39837646484375	74716.0
475.5434875488281	372.0
475.5743103027344	124.0
475.66265869140625	112.0
475.69622802734375	264.0
475.7806091308594	216.0
475.91644287109375	408.0
475.9753112792969	188.0
476.0364685058594	160.0
476.13555908203125	260.0
476.16729736328125	388.0
476.2624206542969	184.0
476.4019775390625	10816.0
476.60858154296875	152.0
476.6451416015625	136.0
476.7741394042969	184.0
476.8644104003906	96.0
476.9077453613281	196.0
476.99530029296875	132.0
477.0580749511719	160.0
477.12518310546875	156.0
477.2418518066406	116.0
477.399658203125	1188.0
477.5287170410156	224.0
477.67578125	180.0
477.7317199707031	188.0
477.77325439453125	132.0
477.8265075683594	248.0
477.8941345214844	156.0
477.9830627441406	172.0
478.02239990234375	340.0
478.06585693359375	212.0
478.0793151855469	284.0
478.1504211425781	144.0
478.2023620605469	288.0
478.244873046875	212.0
478.29718017578125	204.0
478.4004821777344	160.0
478.4353332519531	216.0
478.52252197265625	136.0
478.6287841796875	124.0
479.1563415527344	96.0
479.24481201171875	132.0
479.3010559082031	108.0
479.38824462890625	104.0
479.5352478027344	276.0
480.23907470703125	180.0
480.41644287109375	140.0
480.537841796875	228.0
481.45159912109375	128.0
482.1979064941406	144.0
485.4280090332031	148.0
486.369384765625	132.0
486.5576171875	132.0
487.03472900390625	116.0
487.7632751464844	180.0
487.8251953125	160.0
487.98785400390625	164.0
489.6527099609375	148.0
490.2503662109375	156.0
490.4134216308594	144.0
491.8689880371094	144.0
492.2619323730469	172.0
492.38958740234375	132.0
493.1101379394531	176.0
495.4685974121094	176.0
496.21759033203125	196.0
497.6861877441406	144.0
498.60125732421875	148.0
499.4371337890625	152.0
499.50830078125	152.0
499.9932556152344	168.0
501.6189880371094	176.0
502.1468505859375	152.0
505.9360656738281	120.0
506.0506896972656	224.0
506.5791320800781	148.0
506.9017028808594	152.0
509.1896057128906	140.0
510.3529357910156	100.0
510.5399475097656	120.0
510.7582092285156	148.0
511.0316467285156	108.0
512.0692749023438	128.0
512.2625122070312	104.0
512.3655395507812	136.0
512.8529663085938	104.0
513.32275390625	128.0
513.4290161132812	228.0
513.7925415039062	108.0
513.8502807617188	104.0
514.2459106445312	188.0
514.4071044921875	176.0
514.8255004882812	208.0
515.1871948242188	108.0
515.361572265625	240.0
515.42236328125	332.0
515.4765014648438	196.0
515.5858154296875	96.0
515.6780395507812	240.0
515.7418823242188	136.0
515.8914794921875	132.0
515.9834594726562	132.0
516.1195068359375	224.0
516.3599853515625	316.0
516.4105224609375	108.0
516.4945068359375	104.0
516.567626953125	380.0
516.6273803710938	120.0
516.81884765625	116.0
516.8678588867188	176.0
516.9300537109375	212.0
517.0178833007812	108.0
517.098876953125	108.0
517.169921875	128.0
517.2186889648438	232.0
517.3204345703125	100.0
517.3696899414062	240.0
517.4505004882812	204.0
517.4978637695312	108.0
517.545654296875	160.0
517.6448974609375	96.0
517.7449951171875	120.0
517.8104248046875	196.0
517.8673706054688	348.0
517.951171875	120.0
518.0362548828125	120.0
518.236328125	236.0
518.3864135742188	165708.0
518.5092163085938	108.0
518.55224609375	280.0
518.6160278320312	240.0
518.678466796875	148.0
518.7390747070312	168.0
518.7867431640625	368.0
518.8895874023438	152.0
518.9505004882812	224.0
519.0027465820312	112.0
519.0800170898438	372.0
519.1328125	1088.0
519.2568359375	264.0
519.38818359375	73604.0
519.5484619140625	232.0
519.6546020507812	176.0
519.6859130859375	268.0
519.7562866210938	204.0
519.816162109375	128.0
519.8919677734375	128.0
519.953857421875	176.0
520.1940307617188	120.0
520.23974609375	192.0
520.2918701171875	260.0
520.390869140625	11332.0
520.527587890625	264.0
520.5778198242188	168.0
520.6328125	156.0
520.7510375976562	120.0
520.7882690429688	96.0
520.8878173828125	120.0
521.1588745117188	112.0
521.2153930664062	176.0
521.3922119140625	1792.0
521.6720581054688	132.0
521.7489624023438	140.0
521.8560180664062	224.0
521.8875732421875	176.0
522.028076171875	112.0
522.0715942382812	200.0
522.1070556640625	256.0
522.1458740234375	100.0
522.2080688476562	152.0
522.2568359375	160.0
522.3087768554688	176.0
522.3593139648438	216.0
522.5543823242188	184.0
522.66455078125	168.0
522.787109375	100.0
522.8585205078125	124.0
522.9248046875	140.0
523.0235595703125	136.0
523.1119384765625	156.0
523.23291015625	120.0
523.2442016601562	180.0
523.3034057617188	140.0
523.5650634765625	128.0
523.6428833007812	132.0
524.7362670898438	192.0
525.6183471679688	148.0
526.58056640625	112.0
527.4451293945312	196.0
529.5886840820312	116.0
533.4066162109375	152.0
535.9463500976562	140.0
540.7748413085938	144.0
546.4733276367188	140.0
603.6382446289062	152.0
635.9717407226562	160.0
694.4212036132812	132.0
695.8291015625	164.0
709.24658203125	156.0
909.6535034179688	168.0
1702.6590576171875	140.0
1793.664794921875	144.0
1843.776123046875	144.0
1866.6734619140625	164.0
1899.9093017578125	156.0
1955.5198974609375	188.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079005
PEPMASS=496.405487
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=34.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ORLISTAT [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
INCHI=InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
INCHIAUX=AHLBNYSZXLDEJQ-FWEHEUNISA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079005
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079005
SCANS=4422
46.16060256958008	148.0
46.84873962402344	152.0
49.568092346191406	172.0
52.375675201416016	180.0
53.10560607910156	216.0
54.7103271484375	128.0
55.430870056152344	144.0
56.99920654296875	180.0
59.8560905456543	168.0
59.87303161621094	188.0
60.402435302734375	204.0
61.79949188232422	220.0
63.07966232299805	180.0
63.1697998046875	152.0
63.50084686279297	168.0
63.6373176574707	156.0
63.89637756347656	208.0
65.89893341064453	144.0
66.03148651123047	188.0
66.434814453125	152.0
69.5694351196289	140.0
70.14500427246094	164.0
72.90200805664062	172.0
74.67662811279297	188.0
74.70415496826172	152.0
74.77814483642578	148.0
77.49066162109375	148.0
79.5079574584961	172.0
80.101806640625	212.0
80.12496948242188	140.0
80.95912170410156	172.0
83.71861267089844	144.0
85.06429290771484	160.0
86.73181915283203	220.0
89.02293395996094	164.0
89.82093811035156	176.0
91.02651977539062	172.0
91.49424743652344	140.0
91.78384399414062	148.0
93.0765609741211	164.0
93.26178741455078	216.0
94.07466125488281	164.0
94.17314147949219	148.0
95.08621215820312	1340.0
95.3861083984375	184.0
96.08911895751953	180.0
97.10267639160156	860.0
97.18870544433594	204.0
97.61298370361328	172.0
97.86090850830078	176.0
98.0677490234375	212.0
98.10450744628906	204.0
100.38136291503906	200.0
106.07622528076172	140.0
107.0860366821289	260.0
107.81238555908203	140.0
108.55970764160156	188.0
108.77548217773438	148.0
109.06432342529297	344.0
109.10092163085938	1852.0
110.10714721679688	340.0
111.11774444580078	616.0
111.29242706298828	208.0
111.89460754394531	224.0
112.25584411621094	108.0
113.09734344482422	352.0
113.57036590576172	196.0
113.90998840332031	216.0
114.09217834472656	6300.0
114.75396728515625	124.0
115.09530639648438	840.0
115.92835235595703	244.0
117.37935638427734	196.0
119.08576965332031	424.0
120.1229476928711	216.0
121.1025161743164	324.0
121.46166229248047	140.0
121.9183349609375	240.0
122.1052017211914	144.0
122.88941192626953	188.0
123.08071899414062	284.0
123.11724853515625	1348.0
123.28687286376953	152.0
124.1258544921875	208.0
124.63194274902344	156.0
125.09675598144531	268.0
125.13318634033203	472.0
127.11115264892578	324.0
127.14414978027344	232.0
127.1912841796875	204.0
129.1280975341797	140.0
129.21495056152344	172.0
131.08639526367188	168.0
132.02642822265625	156.0
132.1024169921875	1224.0
133.10186767578125	692.0
134.0120086669922	148.0
134.10418701171875	248.0
135.11643981933594	336.0
135.16188049316406	184.0
137.09596252441406	176.0
137.13258361816406	952.0
138.14222717285156	276.0
139.1478729248047	272.0
141.86537170410156	224.0
142.08724975585938	4828.0
143.04598999023438	164.0
143.08880615234375	476.0
143.14598083496094	184.0
145.1042022705078	304.0
147.12142944335938	444.0
149.13279724121094	660.0
149.17074584960938	176.0
150.1178436279297	148.0
151.1155242919922	176.0
151.1486358642578	1680.0
151.43756103515625	168.0
152.15353393554688	276.0
152.18304443359375	184.0
153.12355041503906	100.0
153.1650390625	132.0
154.1041717529297	148.0
154.12889099121094	176.0
155.10484313964844	148.0
156.6072235107422	196.0
158.6311798095703	168.0
159.70840454101562	192.0
160.0982666015625	10308.0
160.1387939453125	152.0
160.5622100830078	208.0
160.9255828857422	144.0
161.1024932861328	1928.0
161.13134765625	404.0
161.75225830078125	156.0
162.09799194335938	256.0
162.41778564453125	128.0
163.13656616210938	184.0
165.1287078857422	148.0
165.16334533691406	876.0
166.17486572265625	420.0
167.14501953125	340.0
167.17837524414062	128.0
168.14585876464844	148.0
169.12709045410156	196.0
169.1572723388672	316.0
171.1708526611328	152.0
175.1488494873047	312.0
176.15386962890625	164.0
177.16400146484375	364.0
178.1667938232422	204.0
179.0365753173828	144.0
179.14395141601562	1004.0
179.1800079345703	792.0
179.29498291015625	180.0
180.14747619628906	168.0
180.177978515625	152.0
180.6219482421875	156.0
181.16188049316406	348.0
182.56910705566406	188.0
183.1426239013672	164.0
185.15313720703125	232.0
189.1619415283203	380.0
191.1787109375	1140.0
191.55145263671875	164.0
192.14414978027344	152.0
192.18350219726562	252.0
192.920166015625	140.0
193.07225036621094	168.0
193.1303253173828	152.0
193.1581573486328	284.0
193.19602966308594	5156.0
193.24163818359375	100.0
193.29078674316406	172.0
193.64512634277344	148.0
194.10794067382812	160.0
194.19754028320312	948.0
195.20069885253906	132.0
197.19248962402344	208.0
199.0723114013672	188.0
203.17921447753906	144.0
204.18685913085938	148.0
205.19247436523438	272.0
206.0060272216797	144.0
207.17564392089844	492.0
207.21360778808594	480.0
207.74078369140625	224.0
208.17991638183594	140.0
208.21725463867188	196.0
209.18621826171875	148.0
210.1949462890625	300.0
211.1764678955078	148.0
211.2075958251953	1492.0
211.24253845214844	272.0
211.38726806640625	96.0
212.21205139160156	248.0
212.530029296875	168.0
212.91319274902344	140.0
213.21824645996094	164.0
215.17568969726562	176.0
216.92218017578125	168.0
217.19517517089844	724.0
218.2007598876953	188.0
219.21160888671875	428.0
221.1905975341797	680.0
221.22665405273438	408.0
221.76808166503906	160.0
222.2263641357422	248.0
223.20254516601562	164.0
223.24061584472656	140.0
224.18429565429688	160.0
225.18270874023438	144.0
226.9525604248047	784.0
227.20730590820312	120.0
231.2106475830078	480.0
232.2174072265625	128.0
233.22068786621094	192.0
235.20962524414062	516.0
235.24008178710938	132.0
236.24139404296875	204.0
237.2201690673828	332.0
238.2213592529297	144.0
239.20571899414062	152.0
241.21771240234375	128.0
245.22708129882812	644.0
249.2257843017578	108.0
250.23326110839844	188.0
255.23516845703125	256.0
260.6927795410156	152.0
261.2586975097656	160.0
263.23382568359375	268.0
266.32000732421875	148.0
273.2674255371094	116.0
282.2556457519531	140.0
289.0335693359375	204.0
291.1963806152344	152.0
291.30731201171875	3456.0
292.31036376953125	1156.0
293.0094299316406	168.0
293.3132019042969	360.0
294.94775390625	140.0
298.3104553222656	168.0
301.2904052734375	4272.0
302.2925720214844	1244.0
303.2922668457031	156.0
303.72637939453125	140.0
309.3158874511719	288.0
309.6641540527344	220.0
310.32171630859375	228.0
315.834228515625	148.0
317.32415771484375	252.0
318.016845703125	160.0
318.83367919921875	144.0
319.1553649902344	136.0
319.2519226074219	236.0
319.3017272949219	25496.0
319.40838623046875	120.0
319.6717529296875	108.0
319.9973449707031	120.0
320.30450439453125	6896.0
320.54632568359375	104.0
321.3059387207031	876.0
322.2437744140625	144.0
322.3116760253906	180.0
331.6761169433594	176.0
337.3117370605469	11652.0
337.54486083984375	160.0
337.8572692871094	144.0
338.3152770996094	2952.0
339.320068359375	376.0
340.3920593261719	148.0
355.33087158203125	212.0
362.9405822753906	280.0
362.9702453613281	152.0
370.2977294921875	424.0
371.3072204589844	188.0
372.28515625	156.0
378.82275390625	156.0
430.9173278808594	248.0
451.3931884765625	144.0
460.376953125	104.0
468.4034118652344	120.0
478.3944091796875	196.0
494.56890869140625	252.0
495.5709533691406	124.0
496.3125	324.0
496.40478515625	956.0
497.400390625	188.0
497.4401550292969	276.0
499.3589782714844	168.0
1493.3331298828125	152.0
1514.558837890625	148.0
1550.978515625	232.0
1561.5152587890625	212.0
1585.87255859375	192.0
1591.4732666015625	188.0
1603.1981201171875	164.0
1669.3896484375	156.0
1747.2957763671875	192.0
1757.3936767578125	184.0
1815.6053466796875	160.0
1830.153076171875	152.0
1859.560302734375	176.0
1873.981201171875	244.0
1906.1357421875	136.0
1937.1859130859375	144.0
1985.3282470703125	152.0
1991.5052490234375	152.0
2001.661376953125	204.0
2003.371337890625	256.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079006
PEPMASS=390.220398
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ALFUZOSIN [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3
INCHI=InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)
INCHIAUX=WNMJYKCGWZFFKR-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079006
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079006
SCANS=1054
45.241493225097656	192.0
45.422401428222656	164.0
45.544551849365234	172.0
45.58620071411133	188.0
46.822715759277344	148.0
46.847232818603516	188.0
48.18486022949219	176.0
48.71685028076172	160.0
49.484188079833984	116.0
49.83172607421875	156.0
49.84999465942383	160.0
49.89215850830078	148.0
49.982173919677734	216.0
51.21528244018555	148.0
51.59343338012695	164.0
53.163475036621094	160.0
53.480308532714844	148.0
53.62887191772461	248.0
54.5054931640625	152.0
54.86903762817383	152.0
54.98261642456055	160.0
55.03133010864258	188.0
55.9216194152832	156.0
57.153907775878906	228.0
57.24271774291992	140.0
57.28940963745117	140.0
57.762535095214844	172.0
57.8178825378418	196.0
58.243927001953125	152.0
58.44764709472656	152.0
59.18489456176758	192.0
60.0922737121582	156.0
60.4037971496582	164.0
62.422019958496094	184.0
62.981502532958984	152.0
63.473690032958984	200.0
63.68476104736328	148.0
64.00282287597656	184.0
64.19882202148438	204.0
64.6328125	128.0
64.69893646240234	152.0
64.75017547607422	172.0
65.78406524658203	168.0
65.93912506103516	224.0
66.73018646240234	160.0
66.79035186767578	168.0
66.99871826171875	144.0
67.07693481445312	168.0
68.02657318115234	160.0
68.22098541259766	160.0
69.12503051757812	232.0
69.48624420166016	200.0
69.8664779663086	136.0
70.01649475097656	180.0
70.116455078125	148.0
70.19480895996094	176.0
70.33995819091797	184.0
70.70097351074219	220.0
71.046142578125	140.0
71.11493682861328	188.0
71.47120666503906	200.0
72.19149017333984	176.0
72.9153823852539	232.0
73.11436462402344	252.0
73.26249694824219	144.0
73.53532409667969	208.0
73.91812896728516	180.0
74.12532806396484	144.0
74.38086700439453	164.0
74.45641326904297	148.0
74.693603515625	188.0
74.72284698486328	212.0
74.75382232666016	176.0
74.81405639648438	160.0
75.37113952636719	168.0
75.58382415771484	164.0
75.82799530029297	160.0
76.04132843017578	160.0
76.0673599243164	208.0
76.18702697753906	224.0
76.7650375366211	148.0
77.1334228515625	152.0
77.4326171875	152.0
77.69730377197266	164.0
78.28260803222656	196.0
78.44740295410156	156.0
79.21161651611328	152.0
79.70482635498047	148.0
79.79902648925781	168.0
79.82707214355469	176.0
80.46000671386719	156.0
80.87651824951172	140.0
81.26718139648438	168.0
81.30307006835938	212.0
82.91537475585938	192.0
82.93712615966797	180.0
83.17473602294922	216.0
84.148681640625	188.0
84.3075942993164	152.0
84.40264892578125	148.0
84.41910552978516	148.0
84.6313705444336	232.0
84.67211151123047	192.0
85.57142639160156	164.0
85.86810302734375	184.0
86.06371307373047	208.0
86.11172485351562	160.0
86.69634246826172	180.0
87.18255615234375	148.0
87.63658905029297	176.0
88.4321060180664	212.0
88.49014282226562	192.0
89.04519653320312	224.0
89.27071380615234	204.0
89.49504852294922	236.0
89.96784973144531	240.0
90.32689666748047	176.0
90.72266387939453	188.0
90.88956451416016	188.0
91.57012939453125	344.0
91.6101303100586	164.0
91.7244644165039	224.0
91.83695983886719	192.0
91.88465118408203	148.0
92.04363250732422	176.0
92.06407928466797	188.0
93.11740112304688	140.0
94.68537902832031	184.0
94.8113021850586	140.0
94.98968505859375	180.0
95.0750503540039	164.0
95.24201965332031	172.0
95.35692596435547	116.0
95.45191192626953	140.0
95.84900665283203	268.0
96.10248565673828	188.0
96.28598022460938	148.0
96.38169860839844	152.0
96.8531723022461	184.0
97.50959014892578	108.0
97.72480010986328	160.0
99.03362274169922	144.0
99.0633316040039	148.0
99.29920959472656	168.0
99.38935089111328	172.0
99.61590576171875	100.0
99.64659118652344	196.0
99.94200897216797	220.0
100.07614135742188	1508.0
100.21761322021484	144.0
100.7922592163086	216.0
101.07955169677734	160.0
101.13935852050781	172.0
102.38302612304688	144.0
102.4716567993164	164.0
103.28925323486328	236.0
104.17305755615234	184.0
104.19134521484375	176.0
104.36409759521484	208.0
104.5736312866211	148.0
104.79966735839844	152.0
104.84857177734375	188.0
105.01371765136719	172.0
105.09326934814453	164.0
105.13824462890625	104.0
105.82293701171875	164.0
106.33541107177734	156.0
106.42984008789062	188.0
106.4935073852539	200.0
107.14970397949219	144.0
107.18061065673828	176.0
107.32901763916016	152.0
107.39295196533203	160.0
107.67570495605469	160.0
107.72321319580078	192.0
108.0146713256836	164.0
108.04777526855469	168.0
108.20506286621094	160.0
108.44950103759766	172.0
109.1158447265625	156.0
110.01165771484375	148.0
110.07638549804688	168.0
110.398193359375	140.0
110.5982666015625	216.0
111.09986114501953	172.0
111.32306671142578	220.0
111.6280746459961	96.0
111.66069030761719	184.0
111.89215850830078	168.0
112.03536224365234	160.0
112.07762145996094	212.0
112.1280746459961	148.0
112.63233947753906	156.0
112.67247772216797	232.0
113.17293548583984	224.0
113.32199096679688	140.0
113.3968276977539	140.0
114.01374816894531	148.0
114.05034637451172	160.0
114.50914001464844	136.0
114.57974243164062	152.0
115.23207092285156	116.0
115.91728210449219	152.0
116.73729705810547	160.0
117.13115692138672	152.0
117.25699615478516	216.0
117.5765380859375	168.0
118.31453704833984	212.0
118.62215423583984	144.0
118.8997802734375	200.0
119.18955993652344	180.0
120.80194091796875	184.0
121.20697784423828	212.0
121.22888946533203	152.0
121.6258544921875	180.0
121.96851348876953	168.0
122.31165313720703	196.0
122.34467315673828	140.0
122.45917510986328	140.0
123.39701843261719	228.0
123.84402465820312	144.0
123.93484497070312	224.0
124.72806549072266	168.0
124.80937957763672	148.0
125.67805480957031	192.0
126.09209442138672	108.0
126.31475830078125	208.0
126.73340606689453	144.0
127.59749603271484	180.0
128.07061767578125	2524.0
128.10653686523438	144.0
128.23904418945312	172.0
128.29991149902344	244.0
128.34950256347656	144.0
128.63377380371094	144.0
128.65859985351562	172.0
129.0744171142578	256.0
130.07958984375	160.0
130.7302703857422	180.0
131.26559448242188	164.0
131.9734344482422	148.0
132.07177734375	176.0
132.24566650390625	144.0
132.3303680419922	184.0
132.67401123046875	140.0
133.1627655029297	164.0
134.19137573242188	168.0
134.4612579345703	188.0
134.49588012695312	196.0
134.80535888671875	148.0
134.8238525390625	176.0
135.7220001220703	164.0
136.00038146972656	244.0
136.06222534179688	136.0
136.24420166015625	152.0
136.75344848632812	148.0
137.0631866455078	188.0
137.08799743652344	160.0
137.25198364257812	152.0
137.28463745117188	156.0
137.44558715820312	160.0
138.08795166015625	184.0
138.29156494140625	148.0
138.75840759277344	164.0
138.79757690429688	152.0
139.18943786621094	152.0
139.3139190673828	172.0
139.43374633789062	168.0
139.828857421875	144.0
139.87957763671875	124.0
140.29287719726562	208.0
140.5386199951172	120.0
140.6962890625	164.0
140.88571166992188	132.0
140.9844512939453	148.0
141.28709411621094	176.0
141.3367919921875	164.0
141.37701416015625	144.0
142.38693237304688	180.0
142.44631958007812	156.0
142.99319458007812	200.0
143.83216857910156	184.0
143.86798095703125	144.0
143.96109008789062	168.0
144.1703643798828	144.0
144.5012969970703	176.0
144.64727783203125	140.0
144.6927490234375	152.0
145.6711883544922	152.0
145.7165985107422	168.0
145.7587127685547	148.0
145.77931213378906	156.0
146.3260040283203	196.0
146.8244171142578	148.0
147.06884765625	104.0
147.82664489746094	176.0
147.93797302246094	180.0
148.93215942382812	156.0
149.01718139648438	160.0
149.0779266357422	156.0
149.9954833984375	144.0
150.48826599121094	160.0
151.17758178710938	204.0
151.19715881347656	204.0
151.23965454101562	204.0
151.745849609375	192.0
151.8733673095703	148.0
151.959228515625	204.0
152.00830078125	156.0
152.15802001953125	152.0
152.3741455078125	188.0
152.43557739257812	152.0
153.41761779785156	156.0
153.8147735595703	188.0
154.5874786376953	136.0
155.23736572265625	192.0
155.49041748046875	116.0
155.57977294921875	220.0
155.61204528808594	144.0
155.6393585205078	152.0
155.78948974609375	196.0
155.99826049804688	164.0
156.0244598388672	196.0
156.06703186035156	368.0
156.1029815673828	88380.0
156.24368286132812	104.0
156.2746124267578	96.0
156.51290893554688	152.0
156.5823974609375	136.0
156.60113525390625	96.0
156.96560668945312	156.0
157.0304412841797	156.0
157.1063995361328	7872.0
157.6603546142578	116.0
157.90660095214844	228.0
157.99264526367188	152.0
158.11009216308594	612.0
158.24913024902344	104.0
158.50274658203125	152.0
158.60589599609375	112.0
158.77862548828125	176.0
158.84886169433594	144.0
159.0333251953125	116.0
159.11611938476562	136.0
159.34341430664062	144.0
160.04611206054688	184.0
160.21136474609375	176.0
161.81065368652344	104.0
162.61354064941406	156.0
163.1009521484375	188.0
163.9130401611328	144.0
164.2852783203125	188.0
164.79588317871094	192.0
164.9210968017578	192.0
165.41131591796875	204.0
165.47877502441406	152.0
166.8539276123047	152.0
166.93878173828125	188.0
167.2191925048828	216.0
167.34532165527344	228.0
167.46121215820312	188.0
168.61187744140625	144.0
169.39068603515625	176.0
170.07781982421875	140.0
170.11355590820312	272.0
170.64154052734375	152.0
170.71434020996094	176.0
171.55532836914062	140.0
172.13975524902344	148.0
172.19659423828125	116.0
173.06277465820312	140.0
173.25396728515625	160.0
173.27230834960938	208.0
173.32733154296875	224.0
173.5684814453125	212.0
174.08804321289062	180.0
174.8925323486328	204.0
175.05050659179688	172.0
175.33164978027344	188.0
175.3929901123047	172.0
175.5353546142578	180.0
176.060791015625	180.0
176.12916564941406	152.0
176.32203674316406	228.0
176.651611328125	124.0
177.06805419921875	176.0
178.2140655517578	164.0
179.08395385742188	292.0
179.3210906982422	144.0
179.63038635253906	212.0
179.76377868652344	188.0
179.79580688476562	176.0
179.8465118408203	160.0
180.2684783935547	172.0
180.86221313476562	164.0
181.06568908691406	196.0
181.6285400390625	144.0
181.7868194580078	144.0
182.04989624023438	164.0
182.25784301757812	116.0
182.2943572998047	152.0
182.31585693359375	152.0
182.80528259277344	148.0
182.87525939941406	160.0
182.9452362060547	160.0
183.4448699951172	144.0
183.4894256591797	168.0
184.731689453125	232.0
184.958984375	284.0
185.06997680664062	176.0
185.6878204345703	188.0
185.88858032226562	156.0
185.9401397705078	228.0
186.279541015625	152.0
186.40682983398438	136.0
186.7769775390625	208.0
187.07479858398438	196.0
187.5966033935547	168.0
187.84361267089844	124.0
188.08761596679688	160.0
188.16116333007812	148.0
188.39329528808594	140.0
188.8362579345703	244.0
189.08291625976562	260.0
189.10986328125	144.0
189.36448669433594	152.0
189.83311462402344	204.0
190.08607482910156	248.0
190.85401916503906	212.0
191.04017639160156	108.0
191.0926971435547	1304.0
192.089111328125	244.0
192.26773071289062	228.0
192.30426025390625	128.0
192.46096801757812	152.0
192.9444580078125	184.0
193.0935821533203	164.0
193.42579650878906	176.0
193.48117065429688	176.0
193.70269775390625	200.0
194.1754150390625	168.0
195.01235961914062	164.0
195.10964965820312	164.0
195.49566650390625	148.0
195.8442840576172	172.0
195.8888397216797	148.0
195.93063354492188	148.0
196.0114288330078	200.0
196.29296875	176.0
196.79367065429688	216.0
196.86781311035156	188.0
197.13040161132812	172.0
197.18629455566406	204.0
197.53521728515625	96.0
197.68128967285156	188.0
198.0076141357422	116.0
198.53289794921875	192.0
198.97061157226562	188.0
199.04641723632812	156.0
199.3420867919922	124.0
200.06793212890625	184.0
200.51206970214844	160.0
200.54588317871094	168.0
200.59669494628906	140.0
200.88714599609375	148.0
201.08175659179688	192.0
201.13821411132812	164.0
201.4205780029297	232.0
202.0607147216797	380.0
202.0875701904297	292.0
203.09097290039062	628.0
203.22958374023438	144.0
203.31187438964844	152.0
203.3354034423828	176.0
203.99354553222656	152.0
204.07550048828125	288.0
204.09588623046875	204.0
204.70481872558594	160.0
205.08238220214844	348.0
205.26048278808594	188.0
206.04537963867188	164.0
206.083740234375	148.0
206.9434356689453	156.0
207.12098693847656	148.0
207.611083984375	168.0
208.13772583007812	140.0
208.4263153076172	180.0
208.50965881347656	188.0
208.57862854003906	152.0
210.95167541503906	152.0
211.36166381835938	192.0
211.51470947265625	136.0
211.71482849121094	168.0
213.92437744140625	164.0
215.0902557373047	172.0
215.2538604736328	196.0
215.53135681152344	180.0
215.671630859375	152.0
215.84120178222656	200.0
216.0108184814453	140.0
216.1002655029297	1960.0
216.13677978515625	180.0
216.38247680664062	148.0
217.06517028808594	248.0
217.1065673828125	312.0
217.50230407714844	160.0
218.09344482421875	728.0
218.4779052734375	196.0
218.54612731933594	172.0
218.82305908203125	140.0
219.008056640625	156.0
219.08872985839844	12756.0
219.51580810546875	144.0
219.58384704589844	148.0
219.9416961669922	188.0
220.0960693359375	9072.0
220.15206909179688	164.0
220.21408081054688	176.0
220.69979858398438	148.0
220.91244506835938	144.0
221.10079956054688	792.0
221.4444580078125	140.0
221.89486694335938	164.0
222.08810424804688	328.0
222.5010528564453	124.0
222.80650329589844	184.0
223.28504943847656	176.0
224.3713836669922	208.0
225.3293914794922	180.0
225.73289489746094	160.0
226.33998107910156	140.0
227.1105194091797	148.0
229.11181640625	672.0
229.29330444335938	180.0
229.70335388183594	140.0
229.9261016845703	184.0
230.11904907226562	176.0
230.89036560058594	168.0
230.9206085205078	196.0
231.09068298339844	588.0
231.12298583984375	320.0
231.20802307128906	204.0
231.32000732421875	148.0
231.5486297607422	236.0
231.6137237548828	188.0
231.9561309814453	168.0
232.09446716308594	1728.0
232.13174438476562	108.0
232.7014923095703	160.0
233.06080627441406	144.0
233.10276794433594	836.0
233.27658081054688	172.0
233.52810668945312	196.0
233.92356872558594	192.0
234.11138916015625	4316.0
234.21742248535156	104.0
234.24603271484375	176.0
234.31358337402344	148.0
234.4666748046875	172.0
234.7530517578125	140.0
234.78758239746094	120.0
234.8260955810547	148.0
234.87478637695312	132.0
234.97996520996094	156.0
235.0072784423828	112.0
235.07847595214844	136.0
235.12030029296875	141416.0
235.1909942626953	196.0
235.33544921875	96.0
235.62127685546875	140.0
235.6690673828125	228.0
235.72872924804688	196.0
236.06735229492188	120.0
236.12294006347656	16660.0
236.19773864746094	132.0
236.23294067382812	152.0
236.3640594482422	156.0
236.4800262451172	280.0
236.8406219482422	144.0
236.92405700683594	124.0
237.08030700683594	160.0
237.1221160888672	1060.0
237.52232360839844	160.0
237.81793212890625	124.0
237.903076171875	192.0
237.953125	444.0
238.3474578857422	128.0
238.921875	148.0
239.1265411376953	132.0
239.22653198242188	144.0
239.49337768554688	200.0
239.575439453125	160.0
240.45718383789062	204.0
241.56077575683594	148.0
242.04843139648438	136.0
242.2807159423828	168.0
242.41395568847656	188.0
243.06060791015625	140.0
243.1234130859375	156.0
243.50390625	200.0
244.04237365722656	300.0
245.03553771972656	204.0
245.1034393310547	472.0
245.32310485839844	200.0
245.50082397460938	168.0
246.10523986816406	372.0
246.14053344726562	156.0
246.1748809814453	184.0
246.19985961914062	164.0
246.45913696289062	288.0
246.66607666015625	128.0
247.11996459960938	17792.0
247.25027465820312	164.0
247.322265625	176.0
247.4116668701172	100.0
247.5038299560547	224.0
247.59921264648438	160.0
248.0835418701172	128.0
248.122802734375	2484.0
248.23080444335938	216.0
248.29037475585938	144.0
248.47067260742188	156.0
248.79241943359375	152.0
248.89700317382812	152.0
248.97865295410156	132.0
249.06246948242188	184.0
249.12359619140625	408.0
249.20069885253906	156.0
249.37109375	204.0
249.42840576171875	156.0
249.87261962890625	128.0
249.95846557617188	224.0
250.1964569091797	148.0
250.59449768066406	204.0
250.7405242919922	164.0
250.7803192138672	136.0
251.10516357421875	172.0
251.38014221191406	144.0
251.92898559570312	164.0
253.5605926513672	204.0
253.8406524658203	204.0
254.61373901367188	124.0
254.7007293701172	180.0
254.72930908203125	288.0
254.9644317626953	152.0
255.02481079101562	260.0
255.26153564453125	156.0
257.09527587890625	316.0
257.4173583984375	156.0
257.9924621582031	164.0
258.13739013671875	124.0
258.3602294921875	140.0
258.8659362792969	216.0
259.05810546875	248.0
259.11993408203125	3348.0
259.7120361328125	148.0
260.12518310546875	2700.0
260.1901550292969	168.0
260.5434265136719	172.0
260.62054443359375	204.0
260.7453918457031	168.0
260.8165588378906	180.0
261.1333923339844	3008.0
261.3471984863281	172.0
262.0412292480469	100.0
262.13299560546875	520.0
262.4713134765625	140.0
262.67449951171875	140.0
262.7099914550781	140.0
262.8031005859375	144.0
263.83380126953125	140.0
264.1026306152344	152.0
264.4621887207031	136.0
265.1499328613281	156.0
265.2549133300781	152.0
265.4267272949219	140.0
267.8902893066406	196.0
268.44110107421875	144.0
268.6987609863281	180.0
268.750244140625	212.0
268.80645751953125	176.0
268.9239196777344	180.0
269.1654968261719	152.0
269.3614501953125	196.0
270.60479736328125	168.0
270.8235778808594	144.0
272.1141357421875	164.0
273.13409423828125	864.0
273.3698425292969	144.0
274.11212158203125	188.0
274.140380859375	272.0
274.1994323730469	128.0
274.5206298828125	112.0
274.62640380859375	144.0
274.8122253417969	208.0
275.1513977050781	24056.0
275.46185302734375	152.0
275.4912414550781	192.0
275.6602478027344	216.0
275.8735656738281	156.0
276.0960998535156	164.0
276.1539001464844	2760.0
276.9234924316406	148.0
277.156494140625	576.0
277.5528259277344	168.0
277.65924072265625	164.0
277.7394714355469	172.0
277.8087463378906	148.0
278.1546630859375	192.0
278.318603515625	112.0
278.5155334472656	160.0
278.7514343261719	152.0
279.087158203125	168.0
279.3997802734375	160.0
280.27874755859375	152.0
280.8121337890625	160.0
281.48291015625	164.0
282.7666015625	196.0
284.4089050292969	160.0
284.76483154296875	124.0
285.1310119628906	164.0
285.8809814453125	216.0
286.093017578125	176.0
286.1287536621094	516.0
286.5105895996094	152.0
286.5442810058594	188.0
287.1376647949219	612.0
288.0946960449219	148.0
288.14215087890625	140.0
288.1941223144531	172.0
288.701171875	192.0
288.8878173828125	244.0
290.0253601074219	160.0
290.1062927246094	188.0
290.1639404296875	156.0
290.5035400390625	140.0
290.6832275390625	152.0
291.22265625	160.0
291.2464294433594	176.0
291.44915771484375	160.0
291.6549377441406	220.0
291.9485778808594	188.0
292.1791687011719	4068.0
292.21527099609375	200.0
292.6354064941406	152.0
292.97308349609375	136.0
293.1787109375	1036.0
293.3050231933594	140.0
293.6732482910156	140.0
293.8267517089844	156.0
294.18438720703125	272.0
294.2623596191406	132.0
294.2897033691406	124.0
295.04254150390625	164.0
295.1724853515625	180.0
295.6582336425781	188.0
295.76220703125	168.0
295.9457702636719	208.0
296.1169738769531	160.0
297.4233093261719	220.0
297.66705322265625	164.0
298.08270263671875	176.0
298.1429443359375	204.0
298.9114074707031	144.0
299.0662841796875	152.0
299.74127197265625	164.0
300.06524658203125	252.0
300.4101257324219	168.0
300.4825744628906	156.0
300.67236328125	228.0
301.68597412109375	116.0
302.1625671386719	2824.0
302.25311279296875	108.0
302.61846923828125	180.0
302.7247009277344	136.0
303.17108154296875	332.0
303.411865234375	168.0
304.13330078125	156.0
304.17156982421875	328.0
304.9391784667969	216.0
306.8537292480469	272.0
307.0241394042969	96.0
307.80975341796875	152.0
307.9565124511719	164.0
308.6098937988281	148.0
308.9852600097656	196.0
310.2413635253906	204.0
310.38861083984375	156.0
310.5289001464844	156.0
310.9639587402344	156.0
311.45550537109375	152.0
311.58197021484375	180.0
312.5030822753906	228.0
312.7987060546875	156.0
312.96417236328125	224.0
313.3515930175781	152.0
313.7427978515625	236.0
314.1601867675781	304.0
314.9360046386719	168.0
315.1580505371094	148.0
315.511474609375	148.0
316.0526123046875	148.0
316.56298828125	188.0
317.1639404296875	360.0
317.2283935546875	244.0
317.9815368652344	156.0
318.1451110839844	480.0
318.2110900878906	148.0
318.4809875488281	188.0
319.1419677734375	292.0
319.31976318359375	216.0
319.91400146484375	144.0
320.0279235839844	176.0
320.59429931640625	160.0
320.7118835449219	176.0
320.89727783203125	280.0
321.54290771484375	140.0
321.89276123046875	148.0
322.2320861816406	160.0
322.3530578613281	144.0
322.414306640625	140.0
322.82183837890625	148.0
323.29046630859375	188.0
323.7272033691406	148.0
324.23590087890625	156.0
324.3463134765625	100.0
324.4454650878906	124.0
324.6123046875	140.0
324.82391357421875	220.0
325.2545166015625	176.0
326.55157470703125	196.0
326.6415100097656	140.0
326.8429870605469	148.0
327.1416931152344	160.0
329.85076904296875	180.0
330.15216064453125	200.0
330.1906433105469	152.0
330.3135986328125	172.0
330.4004211425781	196.0
331.54461669921875	164.0
331.63885498046875	160.0
331.9373474121094	140.0
331.99969482421875	112.0
332.17681884765625	424.0
332.2516784667969	148.0
333.1773986816406	164.0
333.391357421875	168.0
333.4499206542969	144.0
334.7668762207031	220.0
334.98541259765625	164.0
335.2149353027344	148.0
335.42633056640625	180.0
335.7598876953125	128.0
335.8346862792969	160.0
336.3710632324219	148.0
336.4148864746094	164.0
337.083251953125	140.0
338.6270446777344	220.0
338.7259521484375	148.0
339.5396423339844	140.0
339.5982971191406	192.0
339.82574462890625	148.0
340.7252502441406	148.0
340.88690185546875	160.0
341.41259765625	156.0
341.9673156738281	164.0
342.1926574707031	144.0
342.700927734375	144.0
342.7451477050781	240.0
343.58209228515625	212.0
343.7997741699219	172.0
344.3350830078125	156.0
344.37939453125	164.0
344.63800048828125	172.0
345.0371398925781	152.0
345.1809387207031	144.0
345.26641845703125	192.0
345.5586242675781	216.0
345.5919189453125	180.0
345.6289367675781	140.0
345.8879699707031	144.0
345.9768371582031	160.0
346.03607177734375	140.0
346.1877136230469	372.0
346.43231201171875	212.0
346.5879211425781	160.0
347.165771484375	468.0
347.19561767578125	164.0
347.5853576660156	140.0
348.3907470703125	108.0
348.948486328125	176.0
349.2460021972656	140.0
349.57708740234375	164.0
350.5899963378906	152.0
351.29095458984375	148.0
351.4289855957031	144.0
352.3437194824219	144.0
353.162353515625	156.0
353.7011413574219	168.0
353.89581298828125	144.0
354.0268859863281	144.0
354.2516174316406	164.0
355.5301513671875	172.0
356.4652099609375	224.0
357.84185791015625	176.0
357.9962463378906	172.0
358.41925048828125	132.0
358.6555480957031	176.0
359.04388427734375	164.0
359.213623046875	164.0
359.3498840332031	128.0
359.6475524902344	184.0
359.7645568847656	148.0
359.885009765625	212.0
360.16094970703125	160.0
360.5879821777344	244.0
360.6976013183594	176.0
360.9546813964844	144.0
361.1669616699219	180.0
361.3702392578125	144.0
361.7469787597656	136.0
362.2191467285156	204.0
362.3975524902344	164.0
363.515380859375	164.0
363.6385803222656	224.0
363.9063415527344	156.0
365.12384033203125	156.0
365.5255432128906	140.0
365.6739501953125	156.0
366.4431457519531	148.0
366.6324157714844	132.0
367.36956787109375	220.0
367.7587585449219	144.0
368.4710388183594	160.0
369.2908935546875	164.0
369.6045837402344	160.0
369.7984619140625	132.0
370.7303771972656	164.0
370.826171875	144.0
372.4991149902344	240.0
372.7641906738281	180.0
372.791748046875	140.0
372.8910217285156	236.0
373.171630859375	152.0
373.29852294921875	152.0
373.5061950683594	180.0
373.8439636230469	136.0
374.184326171875	2040.0
374.4491882324219	164.0
374.7265319824219	152.0
374.8686828613281	136.0
375.1896667480469	1056.0
375.26226806640625	152.0
375.4087829589844	156.0
376.1839294433594	280.0
376.5395202636719	216.0
376.6631164550781	156.0
376.87774658203125	180.0
377.273681640625	152.0
377.6448669433594	140.0
378.1904296875	144.0
378.2833251953125	152.0
378.3375244140625	156.0
379.0462951660156	172.0
379.246337890625	104.0
379.28271484375	208.0
379.7030029296875	128.0
380.0854797363281	224.0
380.26788330078125	204.0
380.4119873046875	96.0
380.7492980957031	148.0
380.9719543457031	100.0
382.0774841308594	136.0
382.3004150390625	188.0
383.0401611328125	164.0
383.26611328125	152.0
383.67926025390625	152.0
384.0776062011719	128.0
384.67987060546875	132.0
384.7950439453125	156.0
385.158203125	196.0
385.3746337890625	100.0
385.5399169921875	120.0
385.6210632324219	160.0
385.7473449707031	148.0
385.79962158203125	112.0
385.9461975097656	108.0
386.25518798828125	128.0
386.3981018066406	136.0
386.43011474609375	100.0
386.66351318359375	148.0
386.9681701660156	192.0
387.01300048828125	152.0
387.17913818359375	212.0
387.434326171875	144.0
387.4705810546875	104.0
387.5870666503906	128.0
387.6895446777344	160.0
387.83026123046875	168.0
388.00018310546875	96.0
388.0861511230469	124.0
388.1300048828125	236.0
388.1915588378906	708.0
388.31890869140625	156.0
388.375732421875	208.0
388.4290466308594	204.0
388.4805908203125	120.0
388.5660095214844	136.0
388.641357421875	200.0
388.6759338378906	164.0
388.7410888671875	280.0
388.8200988769531	176.0
388.90814208984375	224.0
388.95892333984375	320.0
389.0143127441406	176.0
389.07476806640625	296.0
389.11395263671875	280.0
389.1943664550781	444.0
389.27593994140625	388.0
389.3501892089844	144.0
389.4000549316406	176.0
389.4420471191406	372.0
389.4569091796875	304.0
389.54541015625	252.0
389.6105651855469	360.0
389.6413269042969	360.0
389.6922607421875	564.0
389.7337951660156	204.0
389.7696533203125	340.0
389.8145446777344	304.0
389.8965759277344	276.0
389.94512939453125	592.0
389.98028564453125	324.0
390.0135192871094	524.0
390.0793151855469	804.0
390.2168273925781	274092.0
390.3626708984375	200.0
390.4819030761719	336.0
390.5830993652344	1152.0
390.7019958496094	612.0
390.7398681640625	172.0
390.81390380859375	824.0
390.8671569824219	17192.0
390.9076232910156	940.0
390.96966552734375	428.0
391.0038146972656	236.0
391.07861328125	304.0
391.2192077636719	163884.0
391.3147277832031	284.0
391.3451232910156	224.0
391.407958984375	148.0
391.47515869140625	296.0
391.52154541015625	620.0
391.5484924316406	352.0
391.5773620605469	516.0
391.6598205566406	444.0
391.7772521972656	164.0
391.82928466796875	304.0
391.8658447265625	2308.0
391.97894287109375	208.0
392.038818359375	108.0
392.0790710449219	144.0
392.1424865722656	308.0
392.2196044921875	28700.0
392.3164367675781	156.0
392.3535461425781	156.0
392.4375305175781	288.0
392.4488525390625	240.0
392.48760986328125	108.0
392.5686340332031	228.0
392.65142822265625	96.0
392.7097473144531	272.0
392.7604675292969	196.0
392.81304931640625	124.0
392.9132995605469	236.0
392.9997863769531	172.0
393.10638427734375	348.0
393.1456298828125	312.0
393.1738586425781	616.0
393.2203674316406	1356.0
393.28759765625	232.0
393.3799133300781	172.0
393.45013427734375	304.0
393.4911804199219	232.0
393.51702880859375	292.0
393.56011962890625	336.0
393.577392578125	160.0
393.590087890625	196.0
393.64581298828125	284.0
393.6905822753906	504.0
393.7520446777344	436.0
393.80316162109375	460.0
393.87347412109375	148.0
393.9525146484375	212.0
393.9933776855469	244.0
394.1019592285156	136.0
394.1768798828125	184.0
394.2143249511719	100.0
394.2571716308594	96.0
394.3037109375	188.0
394.34124755859375	228.0
394.38134765625	328.0
394.41815185546875	148.0
394.55224609375	152.0
394.62896728515625	112.0
394.6820373535156	176.0
394.7652893066406	120.0
394.7970275878906	96.0
394.8483581542969	136.0
394.8970031738281	128.0
394.9306945800781	160.0
394.9666748046875	212.0
395.019775390625	176.0
395.1581726074219	120.0
395.2523498535156	108.0
395.318115234375	128.0
395.4682312011719	200.0
395.57806396484375	96.0
395.6181945800781	116.0
395.7522888183594	104.0
395.8447265625	148.0
395.9005432128906	128.0
396.02093505859375	128.0
396.2065734863281	168.0
396.4898376464844	104.0
396.643310546875	112.0
398.3165283203125	100.0
400.0455627441406	128.0
402.3367919921875	144.0
403.8112487792969	152.0
404.24627685546875	108.0
405.423828125	96.0
406.8324890136719	148.0
407.4994812011719	148.0
408.3855895996094	196.0
408.6318054199219	168.0
409.83453369140625	100.0
409.9657287597656	152.0
411.674072265625	108.0
411.9849853515625	104.0
414.192626953125	96.0
416.299560546875	108.0
451.0811767578125	164.0
522.7914428710938	176.0
537.3106079101562	120.0
555.1035766601562	140.0
564.4696044921875	140.0
600.0281372070312	160.0
605.3294677734375	200.0
750.80859375	152.0
762.1673583984375	140.0
786.1560668945312	144.0
792.1776733398438	140.0
800.9180297851562	140.0
852.0126953125	140.0
864.8590698242188	152.0
1166.1097412109375	160.0
1247.6240234375	220.0
1334.8790283203125	160.0
1364.763916015625	168.0
1380.928466796875	172.0
1395.6190185546875	156.0
1459.2000732421875	156.0
1463.7196044921875	192.0
1477.006591796875	228.0
1481.7528076171875	180.0
1490.8299560546875	148.0
1499.9656982421875	140.0
1509.4619140625	160.0
1517.6578369140625	156.0
1518.5380859375	140.0
1568.2657470703125	148.0
1625.7127685546875	148.0
1636.6771240234375	144.0
1728.563720703125	172.0
1730.840087890625	188.0
1745.5521240234375	172.0
1755.4781494140625	184.0
1755.7783203125	188.0
1782.7432861328125	140.0
1800.4681396484375	144.0
1807.365966796875	160.0
1807.5447998046875	148.0
1808.440673828125	148.0
1818.985107421875	188.0
1824.40478515625	144.0
1833.929931640625	152.0
1843.4627685546875	172.0
1896.70361328125	200.0
1897.33642578125	140.0
1908.2581787109375	176.0
1915.664306640625	164.0
1918.217529296875	196.0
1923.65625	116.0
1935.0693359375	160.0
1936.330322265625	184.0
1948.77783203125	168.0
1951.933349609375	208.0
1952.337890625	168.0
1955.8082275390625	184.0
1967.2017822265625	148.0
1976.1365966796875	140.0
1982.875244140625	236.0
1987.6551513671875	140.0
1999.2427978515625	192.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079007
PEPMASS=344.171997
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=PAROXETINE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CC[C@H]([C@H](COc2ccc3OCOc3c2)C1)c4ccc(F)cc4
INCHI=InChI=1S/C20H22FNO3/c1-22-9-8-18(14-2-4-16(21)5-3-14)15(11-22)12-23-17-6-7-19-20(10-17)25-13-24-19/h2-7,10,15,18H,8-9,11-13H2,1H3/t15-,18-/m0/s1
INCHIAUX=MOJZPKOBKCXNKG-YJBOKZPZSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079007
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079007
SCANS=1209
44.946048736572266	140.0
46.06172561645508	168.0
46.47599792480469	208.0
46.70967102050781	172.0
47.25536346435547	160.0
49.78388977050781	220.0
49.83305358886719	148.0
49.8920783996582	144.0
50.015869140625	184.0
53.9323844909668	152.0
55.70211410522461	180.0
55.719940185546875	144.0
57.93437957763672	144.0
58.08293533325195	152.0
59.0363655090332	184.0
66.65206146240234	144.0
74.41448974609375	196.0
74.4769058227539	232.0
79.76334381103516	188.0
83.72368621826172	172.0
84.61658477783203	176.0
86.23352813720703	156.0
87.35904693603516	176.0
88.08231353759766	168.0
89.29125213623047	228.0
89.34768676757812	192.0
91.05267333984375	160.0
92.55537414550781	156.0
94.27316284179688	184.0
94.53035736083984	140.0
94.81890106201172	168.0
96.0821533203125	496.0
96.99605560302734	176.0
97.08821105957031	192.0
97.27460479736328	148.0
98.09513092041016	164.0
99.14242553710938	164.0
100.01830291748047	164.0
100.0820083618164	216.0
103.05560302734375	184.0
104.05104064941406	164.0
104.4554443359375	196.0
106.02555847167969	152.0
107.86148071289062	168.0
108.20488739013672	152.0
109.04502868652344	1084.0
111.1037826538086	264.0
113.22013092041016	140.0
113.45108795166016	144.0
114.37725830078125	172.0
115.05504608154297	184.0
117.54766082763672	188.0
119.04862213134766	148.0
123.04603576660156	272.0
123.06304931640625	532.0
123.51402282714844	148.0
124.04988861083984	148.0
127.31866455078125	144.0
128.65162658691406	196.0
129.0040283203125	224.0
129.02890014648438	228.0
129.07534790039062	160.0
129.522216796875	140.0
130.14132690429688	144.0
130.179931640625	152.0
131.084228515625	144.0
133.04248046875	176.0
133.68211364746094	164.0
134.04222106933594	204.0
134.08282470703125	148.0
135.0407257080078	428.0
135.06100463867188	2512.0
136.06625366210938	500.0
136.24398803710938	164.0
137.07664489746094	396.0
137.33572387695312	200.0
138.0807647705078	204.0
141.71302795410156	152.0
146.0529327392578	248.0
147.06298828125	640.0
147.52407836914062	144.0
148.0659637451172	552.0
148.8409881591797	136.0
149.07611083984375	788.0
150.03424072265625	188.0
150.07350158691406	348.0
150.90582275390625	140.0
150.96450805664062	156.0
151.0399169921875	6396.0
151.07122802734375	240.0
151.6965789794922	220.0
152.04458618164062	640.0
152.0863494873047	280.0
152.31494140625	144.0
152.8164520263672	152.0
152.9493408203125	160.0
153.06121826171875	180.0
153.552978515625	172.0
153.9725341796875	184.0
154.06451416015625	136.0
157.39952087402344	144.0
159.0780792236328	152.0
160.97532653808594	176.0
161.0754852294922	672.0
162.078125	160.0
162.10606384277344	160.0
162.86463928222656	140.0
163.0373992919922	448.0
163.0928955078125	944.0
163.65042114257812	200.0
164.08909606933594	1456.0
165.05064392089844	140.0
165.09335327148438	164.0
165.18931579589844	180.0
165.45291137695312	152.0
166.10472106933594	300.0
172.78245544433594	200.0
173.05621337890625	160.0
173.90399169921875	204.0
175.03968811035156	288.0
175.0886993408203	304.0
176.09938049316406	308.0
177.0547332763672	208.0
177.1004638671875	256.0
178.05174255371094	232.0
178.10324096679688	760.0
179.1077117919922	288.0
179.3261260986328	148.0
179.42172241210938	148.0
179.58474731445312	152.0
180.11376953125	460.0
181.2100372314453	140.0
181.79458618164062	152.0
184.09893798828125	228.0
184.62049865722656	212.0
186.91270446777344	152.0
188.88792419433594	200.0
189.05772399902344	144.0
190.04127502441406	176.0
190.1031494140625	160.0
191.1127166748047	104.0
192.11793518066406	3056.0
192.1515350341797	188.0
192.8280487060547	180.0
192.90846252441406	204.0
193.12518310546875	428.0
194.13331604003906	336.0
195.07041931152344	396.0
196.03619384765625	272.0
196.06813049316406	160.0
197.0797882080078	156.0
199.0545196533203	148.0
199.6952667236328	144.0
199.92315673828125	144.0
200.89239501953125	152.0
204.07798767089844	144.0
204.11773681640625	720.0
205.12045288085938	140.0
206.07696533203125	232.0
206.13490295410156	7752.0
206.3468017578125	96.0
206.531005859375	164.0
207.13819885253906	1112.0
208.13888549804688	144.0
208.8255615234375	140.0
209.47607421875	176.0
210.23724365234375	156.0
211.9459991455078	104.0
213.07196044921875	144.0
213.5777587890625	148.0
216.26504516601562	156.0
216.7898712158203	200.0
220.5535125732422	180.0
222.12442016601562	160.0
224.6841583251953	144.0
224.85125732421875	156.0
227.11915588378906	152.0
227.53627014160156	164.0
229.78443908691406	140.0
230.1365203857422	180.0
233.2245330810547	176.0
236.7924041748047	148.0
239.12904357910156	136.0
239.75592041015625	244.0
240.45599365234375	200.0
240.94696044921875	148.0
244.02450561523438	152.0
246.2828369140625	136.0
247.7696533203125	148.0
248.02975463867188	176.0
248.12692260742188	192.0
250.0839385986328	144.0
252.57028198242188	176.0
253.54859924316406	164.0
253.6912384033203	240.0
256.0778503417969	176.0
263.07098388671875	192.0
272.086181640625	160.0
272.1479797363281	144.0
272.29248046875	160.0
272.4041442871094	152.0
272.5585632324219	184.0
277.5626220703125	188.0
278.46527099609375	160.0
278.93377685546875	140.0
279.070068359375	192.0
282.86322021484375	200.0
283.5833740234375	240.0
284.05615234375	152.0
284.8953552246094	156.0
285.3288879394531	156.0
286.0050354003906	204.0
286.164306640625	324.0
287.42047119140625	140.0
299.0657958984375	148.0
300.0992431640625	172.0
301.8809814453125	184.0
304.1190185546875	248.0
306.2190246582031	180.0
308.98712158203125	148.0
312.20361328125	256.0
313.12371826171875	308.0
314.1547546386719	220.0
316.17291259765625	164.0
318.78955078125	184.0
320.2873840332031	160.0
321.0465087890625	188.0
326.25262451171875	160.0
327.98046875	140.0
330.63507080078125	168.0
331.5368347167969	144.0
331.6383056640625	144.0
333.51116943359375	180.0
333.9947814941406	160.0
340.5263366699219	180.0
341.69525146484375	144.0
341.7408752441406	120.0
341.8681945800781	192.0
341.90869140625	168.0
342.3835754394531	188.0
342.4214172363281	236.0
342.5149230957031	152.0
342.55657958984375	168.0
342.67034912109375	104.0
342.7189025878906	140.0
342.7677307128906	116.0
342.8553161621094	176.0
342.93890380859375	172.0
342.99298095703125	196.0
343.041748046875	108.0
343.1168518066406	140.0
343.2474060058594	116.0
343.43975830078125	172.0
343.52471923828125	180.0
343.56610107421875	140.0
343.6190185546875	252.0
343.68634033203125	172.0
343.77215576171875	128.0
343.83428955078125	324.0
343.89501953125	424.0
343.9627990722656	460.0
344.0198974609375	96.0
344.0443420410156	352.0
344.1086120605469	368.0
344.1677551269531	184704.0
344.3115234375	148.0
344.3643493652344	108.0
344.4403381347656	116.0
344.4972839355469	276.0
344.5576477050781	128.0
344.61712646484375	272.0
344.66815185546875	212.0
344.7138977050781	208.0
344.7745056152344	1660.0
344.87567138671875	180.0
344.9876708984375	152.0
345.0537109375	164.0
345.09539794921875	168.0
345.10589599609375	320.0
345.170166015625	43568.0
345.2862854003906	168.0
345.34130859375	180.0
345.3773193359375	136.0
345.4180908203125	124.0
345.469482421875	144.0
345.5116271972656	96.0
345.67340087890625	144.0
345.7566833496094	144.0
345.7910461425781	108.0
346.0046081542969	128.0
346.06512451171875	184.0
346.124267578125	360.0
346.1730041503906	3968.0
346.3531494140625	176.0
346.43267822265625	164.0
346.6837158203125	140.0
346.8092956542969	136.0
346.8641357421875	200.0
346.8917236328125	192.0
346.9335632324219	148.0
346.9744567871094	100.0
347.0641174316406	244.0
347.12554931640625	212.0
347.1702880859375	604.0
347.2889099121094	208.0
347.3498840332031	104.0
347.39141845703125	124.0
347.4485168457031	224.0
347.5015563964844	200.0
347.5445556640625	120.0
347.6912536621094	164.0
347.8280029296875	144.0
347.93994140625	152.0
348.0005187988281	192.0
348.1861877441406	144.0
348.22186279296875	232.0
348.4284973144531	168.0
348.4785461425781	96.0
348.6728515625	144.0
349.47308349609375	100.0
350.3343200683594	168.0
350.9377746582031	108.0
385.15679931640625	156.0
440.1611328125	148.0
1067.0648193359375	192.0
1113.93701171875	140.0
1212.9205322265625	156.0
1299.64111328125	160.0
1380.51953125	144.0
1411.730712890625	144.0
1564.81298828125	184.0
1600.6097412109375	176.0
1633.592041015625	148.0
1688.9964599609375	168.0
1721.98046875	248.0
1744.5516357421875	172.0
1860.1524658203125	224.0
1889.6947021484375	156.0
1915.7744140625	156.0
1953.1878662109375	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079008
PEPMASS=407.173157
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ARTESUNATE [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
INCHI=InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16+,17-,18-,19-/m1/s1
INCHIAUX=FIHJKUPKCHIPAT-NKHDUEHSSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079008
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079008
SCANS=1714
45.3526725769043	160.0
45.38082504272461	176.0
46.92900466918945	160.0
48.08958053588867	200.0
48.220787048339844	168.0
48.28715133666992	148.0
49.68992233276367	212.0
49.958255767822266	140.0
51.911293029785156	188.0
53.55310821533203	200.0
55.329978942871094	216.0
58.230255126953125	168.0
58.432430267333984	148.0
59.851287841796875	184.0
60.201324462890625	180.0
60.92155075073242	196.0
61.808685302734375	216.0
63.1506233215332	180.0
63.738773345947266	204.0
63.99645233154297	144.0
64.02352142333984	152.0
65.98115539550781	208.0
68.96626281738281	208.0
69.93991088867188	144.0
69.9532241821289	192.0
72.41149139404297	140.0
72.71836853027344	240.0
73.94037628173828	144.0
74.63340759277344	248.0
75.85746002197266	140.0
78.36715698242188	152.0
81.030517578125	140.0
82.04232788085938	148.0
82.93711853027344	180.0
85.96956634521484	196.0
86.23920440673828	152.0
88.91752624511719	148.0
90.77006530761719	152.0
92.52105712890625	140.0
93.07322692871094	168.0
94.15353393554688	220.0
95.04922485351562	308.0
95.16822814941406	152.0
95.21871185302734	224.0
96.8453369140625	152.0
97.0609130859375	148.0
98.2528076171875	148.0
99.04352569580078	304.0
99.05937194824219	204.0
101.33448791503906	148.0
102.78619384765625	176.0
105.07054138183594	620.0
105.37706756591797	148.0
105.92533111572266	200.0
106.07081604003906	144.0
106.87586975097656	160.0
107.04972076416016	244.0
107.08634948730469	536.0
107.10438537597656	160.0
108.08772277832031	284.0
108.42047882080078	176.0
108.50961303710938	216.0
109.04932403564453	168.0
109.1054458618164	164.0
111.0788803100586	148.0
113.87777709960938	168.0
114.4796371459961	176.0
115.05358123779297	180.0
116.05875396728516	156.0
116.34624481201172	188.0
117.0712661743164	220.0
118.0765151977539	168.0
119.08838653564453	456.0
121.06847381591797	164.0
121.10550689697266	144.0
123.00489044189453	360.0
123.0787124633789	152.0
123.11626434326172	140.0
124.58489990234375	176.0
125.09627532958984	148.0
126.10234069824219	216.0
127.22232055664062	184.0
128.06341552734375	384.0
128.94546508789062	148.0
129.07269287109375	116.0
129.81478881835938	200.0
130.07569885253906	156.0
130.11656188964844	140.0
130.21875	228.0
131.08758544921875	552.0
131.1538848876953	152.0
132.0889892578125	104.0
132.7235107421875	180.0
133.01351928710938	148.0
133.04336547851562	160.0
133.0646209716797	452.0
133.1013946533203	612.0
133.21099853515625	140.0
133.5948944091797	272.0
134.07122802734375	156.0
135.05934143066406	612.0
135.08009338378906	368.0
135.11618041992188	1076.0
135.1475830078125	176.0
136.0650634765625	148.0
136.11570739746094	196.0
136.4696502685547	176.0
137.1843719482422	156.0
139.1049041748047	200.0
139.40554809570312	156.0
141.01609802246094	4344.0
141.07159423828125	156.0
141.11793518066406	160.0
141.294189453125	160.0
142.0212860107422	332.0
142.07835388183594	188.0
143.08705139160156	188.0
143.31704711914062	148.0
144.0972442626953	156.0
144.17848205566406	152.0
144.7717742919922	144.0
145.10238647460938	1800.0
145.3230743408203	196.0
146.10459899902344	704.0
147.04380798339844	376.0
147.08328247070312	540.0
147.12147521972656	180.0
147.14019775390625	204.0
147.54122924804688	148.0
148.29888916015625	180.0
149.09765625	680.0
149.17271423339844	196.0
151.07644653320312	260.0
151.11068725585938	532.0
151.138427734375	204.0
151.44198608398438	152.0
151.7581024169922	204.0
152.0720977783203	148.0
152.12120056152344	160.0
155.08631896972656	272.0
155.1828155517578	164.0
156.09486389160156	364.0
157.0977783203125	176.0
157.6670684814453	164.0
157.91458129882812	160.0
158.0721435546875	276.0
159.02700805664062	156.0
159.10984802246094	144.0
160.5213623046875	168.0
160.94528198242188	180.0
161.09466552734375	576.0
161.13294982910156	620.0
161.458251953125	204.0
161.6732940673828	204.0
161.8884735107422	220.0
162.09844970703125	156.0
162.13392639160156	412.0
162.80393981933594	188.0
163.1124725341797	9144.0
163.2384796142578	152.0
163.53868103027344	152.0
163.84934997558594	252.0
164.11595153808594	1280.0
164.6349639892578	224.0
164.6588592529297	168.0
165.0693817138672	172.0
165.09239196777344	304.0
165.12632751464844	388.0
165.5965576171875	140.0
166.1280517578125	184.0
167.03907775878906	208.0
167.10031127929688	416.0
167.78846740722656	140.0
168.10829162597656	188.0
168.68942260742188	144.0
169.00685119628906	184.0
169.10067749023438	140.0
169.647216796875	208.0
171.11764526367188	464.0
173.09671020507812	940.0
173.36663818359375	236.0
174.0696563720703	192.0
174.09771728515625	304.0
174.12217712402344	144.0
175.0718994140625	308.0
175.1128692626953	192.0
175.14218139648438	212.0
176.08425903320312	176.0
176.1397247314453	140.0
176.9330596923828	164.0
177.09458923339844	268.0
177.1316680908203	148.0
179.10610961914062	452.0
179.1452178955078	908.0
181.04393005371094	152.0
181.12120056152344	156.0
182.12240600585938	164.0
182.17613220214844	152.0
183.02859497070312	500.0
185.133544921875	472.0
186.74705505371094	156.0
187.2505645751953	152.0
189.08657836914062	140.0
189.12896728515625	516.0
189.9537811279297	152.0
190.13101196289062	160.0
191.10939025878906	392.0
192.03045654296875	180.0
193.12973022460938	168.0
193.15635681152344	292.0
194.42356872558594	176.0
194.5540313720703	172.0
197.20864868164062	156.0
197.5218048095703	160.0
197.55010986328125	172.0
198.1040496826172	236.0
198.94534301757812	176.0
200.4754180908203	168.0
200.84475708007812	204.0
201.0675811767578	180.0
203.14306640625	932.0
203.3970184326172	156.0
203.48785400390625	252.0
204.14688110351562	300.0
205.15213012695312	156.0
205.7997589111328	168.0
206.13108825683594	228.0
207.06886291503906	156.0
207.13868713378906	1572.0
207.96682739257812	140.0
208.14112854003906	168.0
209.11936950683594	144.0
209.96351623535156	184.0
211.38771057128906	172.0
213.1282501220703	312.0
213.17108154296875	152.0
214.96487426757812	224.0
217.12066650390625	152.0
218.13148498535156	180.0
218.6838836669922	212.0
219.0784454345703	168.0
219.11351013183594	120.0
221.15480041503906	5492.0
222.15869140625	500.0
223.15667724609375	260.0
225.14511108398438	280.0
225.97816467285156	140.0
226.07815551757812	156.0
226.9785614013672	160.0
227.2995147705078	152.0
229.07032775878906	168.0
229.12022399902344	880.0
229.7274932861328	144.0
229.86627197265625	160.0
231.1127166748047	196.0
231.13377380371094	316.0
234.08035278320312	224.0
237.07652282714844	152.0
239.04185485839844	160.0
239.1637725830078	196.0
240.17559814453125	224.0
240.81451416015625	152.0
241.01222229003906	140.0
241.19146728515625	260.0
242.59060668945312	140.0
243.03720092773438	316.0
243.09075927734375	124.0
243.1356201171875	9708.0
243.7554931640625	124.0
244.13656616210938	1844.0
245.1111602783203	180.0
245.14212036132812	180.0
245.40415954589844	160.0
247.1300811767578	1604.0
247.75125122070312	252.0
248.13409423828125	420.0
249.14793395996094	336.0
249.49610900878906	176.0
250.07489013671875	184.0
250.16006469726562	144.0
251.0294647216797	168.0
251.20924377441406	148.0
251.61317443847656	200.0
251.77566528320312	200.0
252.39356994628906	148.0
253.03903198242188	160.0
259.4600830078125	128.0
259.9269714355469	200.0
260.0232238769531	176.0
260.06884765625	152.0
260.14312744140625	200.0
260.1916198730469	148.0
260.28326416015625	196.0
260.3142395019531	124.0
260.7362060546875	156.0
260.8824462890625	184.0
260.9290771484375	168.0
260.9612121582031	144.0
261.06732177734375	148.0
261.1066589355469	388.0
261.14752197265625	75408.0
261.3381652832031	180.0
261.438232421875	112.0
261.538818359375	148.0
261.58355712890625	176.0
261.6779479980469	328.0
261.88323974609375	132.0
261.9575500488281	116.0
261.99859619140625	192.0
262.1504821777344	9492.0
263.15350341796875	804.0
263.5507507324219	104.0
263.6269226074219	172.0
263.86566162109375	136.0
264.06475830078125	132.0
264.16363525390625	180.0
266.049560546875	108.0
266.0614013671875	104.0
267.15716552734375	196.0
268.68896484375	140.0
274.12860107421875	144.0
275.7159118652344	188.0
277.1102600097656	248.0
278.1147155761719	228.0
279.1549072265625	132.0
282.6595153808594	168.0
283.9161376953125	156.0
284.1694030761719	304.0
287.073974609375	132.0
287.97454833984375	228.0
288.95147705078125	184.0
289.1426086425781	14896.0
289.20404052734375	212.0
289.97119140625	148.0
290.1465759277344	1544.0
291.1488037109375	356.0
291.88677978515625	132.0
292.13818359375	124.0
293.8062744140625	160.0
300.3204345703125	208.0
307.061767578125	204.0
307.1427307128906	228.0
307.98052978515625	296.0
320.1133728027344	168.0
323.11700439453125	368.0
324.12286376953125	152.0
326.00347900390625	260.0
326.1021728515625	144.0
330.17254638671875	148.0
331.1641845703125	160.0
334.9271240234375	140.0
339.09600830078125	172.0
341.1302795410156	164.0
341.23974609375	140.0
345.1147766113281	140.0
347.17730712890625	140.0
361.1623229980469	4944.0
362.1641540527344	856.0
363.16375732421875	464.0
364.2898864746094	144.0
368.8282165527344	172.0
379.13555908203125	164.0
380.5706481933594	212.0
390.0640563964844	204.0
392.15118408203125	528.0
393.1495056152344	144.0
395.1385498046875	224.0
406.50335693359375	176.0
406.6799621582031	172.0
406.9048767089844	128.0
406.9569396972656	220.0
406.9971008300781	276.0
407.0492858886719	200.0
407.16802978515625	20248.0
407.2496337890625	424.0
407.3058166503906	124.0
407.9251403808594	144.0
408.17254638671875	4416.0
408.4365234375	188.0
409.0615234375	112.0
409.1730651855469	752.0
410.174560546875	132.0
410.5369567871094	120.0
477.6785583496094	180.0
1248.2216796875	172.0
1536.725341796875	148.0
1660.9056396484375	168.0
1675.3994140625	196.0
1815.31982421875	148.0
1853.37158203125	148.0
1933.95751953125	212.0
1962.587646484375	172.0
1969.541748046875	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079009
PEPMASS=326.236664
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=BISOPROLOL FUMARATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1
INCHI=InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
INCHIAUX=VHYCDWMUTMEGQY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079009
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079009
SCANS=1088
45.885009765625	196.0
47.58025360107422	168.0
49.83453369140625	152.0
52.17835998535156	144.0
53.13300323486328	248.0
55.13473129272461	228.0
57.26094055175781	196.0
57.279945373535156	128.0
62.2632942199707	148.0
63.7260627746582	172.0
64.1270751953125	176.0
68.32808685302734	180.0
71.56040954589844	212.0
75.86612701416016	180.0
76.15070343017578	172.0
76.37317657470703	144.0
76.58552551269531	176.0
76.73190307617188	208.0
77.09976196289062	140.0
84.86956024169922	192.0
85.4793930053711	168.0
89.04143524169922	192.0
90.89525604248047	196.0
91.02053833007812	144.0
91.05281829833984	172.0
94.34675598144531	156.0
95.77886962890625	156.0
96.76896667480469	168.0
98.09600067138672	1124.0
99.03559875488281	168.0
99.10102844238281	136.0
99.65850830078125	144.0
101.11421966552734	184.0
103.16387176513672	152.0
105.0672836303711	648.0
107.04887390136719	1824.0
107.10643768310547	144.0
107.62820434570312	200.0
108.05123138427734	148.0
108.07052612304688	184.0
108.68590545654297	216.0
111.41265869140625	176.0
114.57974243164062	184.0
114.65858459472656	176.0
115.05745697021484	228.0
115.29241180419922	164.0
115.35440063476562	152.0
115.69239044189453	220.0
116.05875396728516	148.0
116.10775756835938	15904.0
116.2612075805664	116.0
116.52127838134766	96.0
116.71794128417969	168.0
117.0698471069336	168.0
117.11200714111328	976.0
118.11106872558594	332.0
119.01265716552734	156.0
119.04906463623047	1252.0
119.08564758300781	308.0
121.06260681152344	1252.0
121.10839080810547	156.0
124.36506652832031	172.0
126.24542236328125	172.0
130.65745544433594	152.0
132.053466796875	160.0
132.7359161376953	216.0
132.8138885498047	160.0
133.06524658203125	2200.0
134.06591796875	544.0
137.06082153320312	176.0
138.02252197265625	200.0
138.06227111816406	192.0
138.8608856201172	216.0
141.3841094970703	188.0
143.76295471191406	172.0
144.0653839111328	156.0
144.5846710205078	132.0
144.76458740234375	180.0
145.06495666503906	1104.0
145.15037536621094	140.0
146.06686401367188	136.0
147.08070373535156	2392.0
147.3309783935547	144.0
148.0836181640625	160.0
149.03904724121094	224.0
149.09864807128906	172.0
149.85169982910156	140.0
151.8463897705078	168.0
152.2120361328125	172.0
154.34840393066406	168.0
155.0539093017578	144.0
156.1189422607422	152.0
161.09507751464844	272.0
162.06906127929688	136.0
162.09091186523438	1388.0
163.0735321044922	436.0
163.1011962890625	328.0
164.0812530517578	312.0
164.45623779296875	160.0
165.0540313720703	156.0
165.6605987548828	188.0
175.1131591796875	176.0
177.19259643554688	232.0
177.3224334716797	160.0
178.05734252929688	192.0
180.0440673828125	164.0
180.0982208251953	456.0
187.7683868408203	224.0
190.12115478515625	144.0
191.8953399658203	204.0
193.3898162841797	156.0
198.1460723876953	168.0
201.37255859375	168.0
204.13902282714844	700.0
205.14073181152344	144.0
205.4144744873047	184.0
210.05580139160156	176.0
217.99627685546875	144.0
222.1494598388672	2456.0
222.94859313964844	168.0
223.1487274169922	368.0
224.06143188476562	176.0
227.5936737060547	204.0
229.90248107910156	176.0
239.62379455566406	180.0
242.68670654296875	176.0
251.3448944091797	196.0
256.8747863769531	140.0
258.1235656738281	144.0
261.53704833984375	148.0
264.15069580078125	160.0
267.7078857421875	188.0
275.1345520019531	180.0
275.66632080078125	184.0
280.23541259765625	240.0
284.9966125488281	148.0
285.59161376953125	152.0
287.0566101074219	156.0
290.87969970703125	180.0
294.2840881347656	180.0
294.6358642578125	184.0
296.1786193847656	232.0
296.9601135253906	200.0
305.0643005371094	144.0
307.0838623046875	144.0
307.2303466796875	152.0
308.2253723144531	388.0
309.2373352050781	188.0
310.0941467285156	168.0
310.6271057128906	156.0
311.413330078125	160.0
312.10211181640625	152.0
312.34124755859375	184.0
316.895263671875	228.0
318.4525451660156	156.0
319.4371337890625	148.0
320.53369140625	148.0
321.2931213378906	140.0
323.76300048828125	168.0
324.0777282714844	200.0
324.2200927734375	108.0
324.3911437988281	116.0
324.6366882324219	236.0
324.7121276855469	120.0
324.8768310546875	160.0
325.1533203125	272.0
325.1889953613281	144.0
325.2025146484375	164.0
325.3165588378906	160.0
325.42681884765625	172.0
325.58203125	248.0
325.6329040527344	132.0
325.68206787109375	104.0
325.74212646484375	140.0
325.8700256347656	156.0
325.9808349609375	140.0
326.0487060546875	148.0
326.08831787109375	132.0
326.17913818359375	376.0
326.23468017578125	139388.0
326.33489990234375	228.0
326.5104064941406	164.0
326.5590515136719	112.0
326.5953369140625	180.0
326.66766357421875	136.0
326.7789306640625	144.0
326.8260192871094	984.0
326.8733825683594	312.0
327.0453796386719	976.0
327.149658203125	112.0
327.1859436035156	300.0
327.2378845214844	22948.0
327.2904052734375	352.0
327.74847412109375	168.0
327.9231872558594	120.0
328.0114440917969	116.0
328.0494079589844	436.0
328.1748962402344	312.0
328.2383117675781	2940.0
328.5132141113281	100.0
328.6910095214844	168.0
329.03326416015625	148.0
329.1018371582031	120.0
329.19561767578125	192.0
329.2453918457031	236.0
329.3752136230469	212.0
329.4337463378906	148.0
329.4781494140625	308.0
329.5484313964844	308.0
329.6754150390625	148.0
329.7124938964844	244.0
330.5053405761719	224.0
330.5400085449219	164.0
339.93212890625	156.0
341.51556396484375	208.0
344.113525390625	168.0
530.2537231445312	160.0
1007.0805053710938	148.0
1346.3272705078125	156.0
1368.7518310546875	168.0
1431.867919921875	164.0
1584.187744140625	168.0
1618.4342041015625	176.0
1643.197509765625	168.0
1668.799072265625	160.0
1676.8660888671875	184.0
1685.6798095703125	160.0
1733.590087890625	200.0
1736.6409912109375	148.0
1746.92431640625	256.0
1777.4613037109375	148.0
1781.046142578125	220.0
1781.3905029296875	140.0
1810.1507568359375	188.0
1818.789794921875	148.0
1828.8790283203125	196.0
1901.864501953125	164.0
1917.4677734375	184.0
1923.765380859375	168.0
1924.82177734375	180.0
1943.035888671875	192.0
1947.0472412109375	148.0
1957.159912109375	172.0
1968.852783203125	260.0
1971.874267578125	156.0
1989.53662109375	168.0
1991.6500244140625	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079010
PEPMASS=448.163544
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=32.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ARIPIPRAZOLE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
INCHI=InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
INCHIAUX=CEUORZQYGODEFX-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079010
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079010
SCANS=1208
45.03148651123047	180.0
45.921348571777344	164.0
46.7219123840332	164.0
46.832176208496094	144.0
46.934383392333984	168.0
46.97120666503906	168.0
47.0913200378418	176.0
47.154170989990234	152.0
47.67127990722656	184.0
47.92953109741211	144.0
47.958473205566406	168.0
48.092262268066406	172.0
48.40470504760742	200.0
48.885005950927734	176.0
48.95182800292969	168.0
48.994964599609375	144.0
49.025657653808594	176.0
49.21397399902344	160.0
49.7684440612793	164.0
50.6031379699707	156.0
50.68812561035156	156.0
50.76045227050781	168.0
51.00318908691406	140.0
51.1297721862793	156.0
51.89543914794922	148.0
52.00015640258789	176.0
53.04880905151367	164.0
54.172359466552734	168.0
54.19580078125	176.0
54.474552154541016	140.0
54.97515106201172	208.0
56.31878662109375	200.0
56.37107467651367	204.0
56.48170852661133	160.0
56.66883850097656	244.0
56.84877395629883	140.0
57.71492385864258	216.0
57.95256042480469	176.0
58.28940963745117	144.0
58.33804702758789	160.0
58.49016571044922	144.0
58.81483459472656	156.0
58.85757827758789	204.0
59.0944938659668	196.0
59.21389389038086	140.0
59.3272819519043	148.0
59.399356842041016	188.0
59.752159118652344	176.0
60.368125915527344	232.0
60.48261642456055	172.0
60.867095947265625	172.0
61.176490783691406	196.0
61.471065521240234	144.0
61.51008224487305	156.0
61.87276077270508	140.0
62.488826751708984	216.0
62.9245491027832	180.0
63.12205505371094	140.0
63.575111389160156	188.0
63.66877746582031	172.0
63.95177459716797	188.0
64.16045379638672	236.0
64.31678009033203	164.0
65.18232727050781	160.0
65.42863464355469	204.0
65.53257751464844	128.0
65.76693725585938	184.0
66.22701263427734	208.0
66.7625961303711	188.0
66.79837799072266	192.0
66.86183166503906	232.0
67.0849838256836	248.0
67.80416870117188	208.0
67.91401672363281	240.0
68.1175537109375	144.0
68.17670440673828	164.0
68.52719116210938	172.0
69.10009765625	188.0
69.16795349121094	172.0
69.3252944946289	160.0
69.42973327636719	160.0
70.26808166503906	148.0
70.32147979736328	204.0
70.93559265136719	136.0
71.38441467285156	196.0
71.57881927490234	172.0
71.83472442626953	148.0
72.17277526855469	180.0
72.24005889892578	204.0
72.34703826904297	168.0
72.45711517333984	144.0
72.50625610351562	208.0
72.77767181396484	164.0
72.81163024902344	180.0
73.01216888427734	164.0
73.07341003417969	176.0
73.35951232910156	184.0
73.61714935302734	156.0
73.6871337890625	144.0
73.74528503417969	220.0
73.94881439208984	140.0
74.30181121826172	224.0
74.68488311767578	152.0
74.90520477294922	156.0
75.11378479003906	152.0
75.19832611083984	176.0
75.26392364501953	176.0
75.3347396850586	144.0
75.5145034790039	148.0
75.7568359375	200.0
75.84693908691406	140.0
75.91802978515625	160.0
76.66903686523438	156.0
76.92717742919922	184.0
77.01622772216797	264.0
77.37821197509766	160.0
77.4517593383789	152.0
77.66766357421875	160.0
77.70770263671875	156.0
77.82003021240234	152.0
77.92892456054688	212.0
77.96758270263672	208.0
78.37936401367188	140.0
78.78339385986328	208.0
79.81668090820312	164.0
79.94120025634766	144.0
79.95543670654297	184.0
80.37242126464844	224.0
80.49022674560547	164.0
80.53844451904297	140.0
80.57060241699219	144.0
81.8440170288086	144.0
81.98091888427734	200.0
82.2510757446289	172.0
82.36701965332031	168.0
82.77212524414062	196.0
82.80472564697266	144.0
82.92219543457031	124.0
83.02401733398438	176.0
83.16214752197266	144.0
83.68544006347656	188.0
83.80200958251953	148.0
83.9605941772461	164.0
83.97518920898438	148.0
84.16315460205078	168.0
84.18506622314453	180.0
84.23802947998047	156.0
84.47018432617188	168.0
84.66602325439453	176.0
84.69532775878906	184.0
84.82909393310547	144.0
85.72837829589844	168.0
86.25222778320312	136.0
86.31534576416016	124.0
86.4054946899414	192.0
86.74253845214844	168.0
86.7555160522461	172.0
86.8111343383789	176.0
87.6010513305664	204.0
88.68106842041016	148.0
89.03941345214844	156.0
89.14461517333984	196.0
89.39848327636719	164.0
89.6301040649414	196.0
89.80270385742188	180.0
89.95071411132812	172.0
90.07345581054688	148.0
90.2420425415039	120.0
90.5993423461914	192.0
90.6334457397461	144.0
91.05549621582031	128.0
91.16856384277344	144.0
91.63475036621094	148.0
92.00091552734375	152.0
92.04673767089844	140.0
92.30853271484375	176.0
92.40225219726562	144.0
92.49984741210938	156.0
92.54388427734375	176.0
92.58983612060547	200.0
93.61919403076172	192.0
94.06473541259766	304.0
94.3852767944336	200.0
94.52261352539062	168.0
95.10983276367188	204.0
95.3992691040039	176.0
96.00647735595703	116.0
96.07913208007812	144.0
96.13159942626953	208.0
96.23700714111328	148.0
96.45399475097656	160.0
96.63963317871094	144.0
96.66835021972656	184.0
97.06663513183594	176.0
97.19805908203125	172.0
97.27460479736328	140.0
97.40223693847656	164.0
97.48475646972656	200.0
97.67350006103516	184.0
97.74235534667969	220.0
97.78564453125	156.0
98.0475845336914	212.0
98.0969467163086	15604.0
98.33622741699219	136.0
98.35723876953125	252.0
98.59928131103516	132.0
98.73658752441406	156.0
99.09917449951172	948.0
99.29473876953125	232.0
99.62060546875	140.0
99.6630859375	104.0
99.79768371582031	120.0
99.90885925292969	168.0
100.29118347167969	204.0
100.644287109375	140.0
100.71817779541016	164.0
100.75613403320312	332.0
100.77411651611328	272.0
100.83206176757812	148.0
100.85005187988281	148.0
101.19812774658203	184.0
101.55056762695312	160.0
101.69528198242188	148.0
101.71736145019531	164.0
101.73944091796875	204.0
101.88002014160156	192.0
101.90814208984375	184.0
102.07525634765625	144.0
102.27816772460938	164.0
102.60249328613281	160.0
102.78199768066406	144.0
103.28821563720703	112.0
103.3498306274414	148.0
103.37203216552734	160.0
103.78728485107422	148.0
104.04872131347656	312.0
104.8015365600586	140.0
105.07433319091797	200.0
105.6938247680664	148.0
105.85348510742188	156.0
106.06520080566406	300.0
106.49127960205078	144.0
106.61974334716797	136.0
107.01154327392578	144.0
107.05139923095703	248.0
107.17219543457031	156.0
107.95038604736328	220.0
108.04621887207031	144.0
108.1386489868164	184.0
108.31328582763672	236.0
108.51773071289062	160.0
108.60897827148438	152.0
108.66706085205078	176.0
108.72561645507812	200.0
108.8414077758789	148.0
108.85802459716797	148.0
109.09696197509766	252.0
109.77154541015625	176.0
109.8841781616211	172.0
110.32483673095703	180.0
110.36665344238281	192.0
110.5884017944336	180.0
110.80408477783203	144.0
110.952880859375	208.0
111.01998138427734	152.0
111.1038818359375	164.0
111.19410705566406	180.0
111.89971160888672	184.0
111.9691162109375	160.0
112.01622772216797	280.0
112.11149597167969	856.0
112.23751068115234	156.0
112.59325408935547	200.0
113.56771087646484	156.0
114.12740325927734	152.0
114.46769714355469	104.0
114.57946014404297	168.0
115.2067642211914	192.0
115.741455078125	172.0
115.91495513916016	172.0
116.04940795898438	300.0
116.18511199951172	220.0
116.23036193847656	176.0
116.76721954345703	148.0
117.05643463134766	732.0
117.43488311767578	204.0
117.46723175048828	152.0
117.6398696899414	156.0
117.8644790649414	152.0
118.066162109375	1472.0
118.70606231689453	192.0
118.76290130615234	188.0
119.07070922851562	156.0
119.59725189208984	140.0
119.70175170898438	248.0
120.00898742675781	160.0
120.04557800292969	348.0
120.0816650390625	620.0
120.12519836425781	108.0
120.91552734375	180.0
120.99652099609375	164.0
121.05382537841797	252.0
121.564208984375	144.0
121.59931945800781	292.0
121.86942291259766	188.0
121.92619323730469	120.0
122.00568389892578	172.0
122.05976104736328	1136.0
122.19561767578125	144.0
122.24983215332031	156.0
122.41272735595703	180.0
122.78074645996094	140.0
123.3791275024414	172.0
123.87704467773438	160.0
124.10753631591797	144.0
124.53805541992188	148.0
124.80472564697266	176.0
124.85364532470703	184.0
125.58861541748047	148.0
126.01946258544922	148.0
126.1312026977539	224.0
126.2152328491211	212.0
126.47342681884766	188.0
126.56211853027344	168.0
126.62567138671875	180.0
127.1502914428711	144.0
127.31531524658203	220.0
127.54019165039062	160.0
127.68498992919922	148.0
127.74571990966797	144.0
128.38763427734375	148.0
128.4423370361328	152.0
129.0040283203125	148.0
129.25054931640625	168.0
129.42030334472656	164.0
129.61964416503906	220.0
129.65589904785156	308.0
129.85313415527344	148.0
130.06187438964844	168.0
130.179931640625	156.0
130.22308349609375	188.0
130.6879119873047	200.0
130.8064422607422	212.0
130.90306091308594	236.0
130.9691162109375	252.0
131.05313110351562	160.0
131.14454650878906	204.0
131.40679931640625	192.0
131.60853576660156	144.0
131.78579711914062	140.0
131.9732208251953	152.0
132.04766845703125	188.0
132.10060119628906	160.0
132.31640625	148.0
132.84808349609375	148.0
132.94903564453125	164.0
133.06126403808594	264.0
133.19186401367188	152.0
133.28660583496094	196.0
134.06019592285156	1060.0
134.32261657714844	148.0
134.5233612060547	180.0
135.00625610351562	176.0
135.13348388671875	148.0
135.96070861816406	212.0
136.02105712890625	168.0
136.03868103027344	284.0
136.07974243164062	172.0
136.11160278320312	164.0
136.17739868164062	144.0
136.43687438964844	188.0
136.58949279785156	172.0
136.77418518066406	168.0
136.90223693847656	168.0
137.00704956054688	164.0
137.0773162841797	192.0
137.57139587402344	148.0
138.00827026367188	396.0
138.05270385742188	164.0
138.62460327148438	148.0
138.72232055664062	140.0
139.02723693847656	140.0
139.5487060546875	148.0
139.59573364257812	292.0
139.71803283691406	144.0
140.1324005126953	144.0
140.23843383789062	188.0
140.29710388183594	176.0
140.44754028320312	204.0
140.66397094726562	104.0
141.04710388183594	172.0
141.0811309814453	168.0
141.56179809570312	128.0
141.76515197753906	160.0
141.95242309570312	172.0
142.1284942626953	176.0
142.19203186035156	156.0
142.6480712890625	200.0
143.05007934570312	168.0
143.81045532226562	176.0
144.03614807128906	128.0
144.0787811279297	108.0
144.65182495117188	188.0
144.8433837890625	256.0
144.88072204589844	204.0
145.34445190429688	152.0
145.96897888183594	184.0
146.06033325195312	11236.0
146.099853515625	144.0
146.12681579589844	128.0
146.20619201660156	144.0
146.2309112548828	104.0
146.51051330566406	188.0
146.67919921875	168.0
146.72018432617188	184.0
146.95765686035156	188.0
147.03134155273438	156.0
147.06387329101562	1296.0
147.24378967285156	168.0
147.41531372070312	144.0
147.4336395263672	144.0
147.54100036621094	316.0
147.81863403320312	116.0
148.00794982910156	288.0
148.0336456298828	176.0
148.07554626464844	14872.0
148.65365600585938	260.0
148.68382263183594	156.0
148.71363830566406	120.0
148.91006469726562	208.0
149.02029418945312	148.0
149.04788208007812	312.0
149.07916259765625	1680.0
149.11415100097656	196.0
149.26486206054688	164.0
150.00926208496094	144.0
150.0464324951172	164.0
150.086669921875	144.0
150.271240234375	148.0
150.424560546875	140.0
150.57864379882812	184.0
150.62966918945312	144.0
150.93272399902344	164.0
151.015869140625	160.0
151.0574493408203	176.0
151.13328552246094	152.0
151.37562561035156	144.0
151.44174194335938	152.0
151.79954528808594	236.0
152.02618408203125	3008.0
152.0656280517578	192.0
152.2240753173828	156.0
152.2412567138672	144.0
152.7314910888672	224.0
152.82566833496094	128.0
152.92225646972656	188.0
153.0349884033203	6272.0
153.42230224609375	184.0
153.70346069335938	188.0
153.75282287597656	212.0
153.853271484375	160.0
154.02574157714844	644.0
154.31106567382812	152.0
154.41595458984375	144.0
154.52346801757812	164.0
154.8158416748047	204.0
155.03111267089844	1452.0
155.20599365234375	116.0
155.67138671875	144.0
156.0316619873047	156.0
156.4794921875	204.0
156.72357177734375	200.0
156.91049194335938	208.0
157.07138061523438	164.0
157.64373779296875	136.0
158.0018768310547	152.0
158.0606689453125	144.0
158.09304809570312	128.0
158.71173095703125	212.0
158.94393920898438	152.0
158.97154235839844	144.0
158.9916229248047	184.0
159.01495361328125	120.0
159.0463104248047	116.0
159.0819854736328	296.0
159.30296325683594	212.0
159.70877075195312	236.0
160.07371520996094	280.0
160.39756774902344	208.0
160.6800079345703	208.0
160.90463256835938	160.0
160.9786834716797	220.0
161.0515899658203	176.0
161.12939453125	160.0
161.36190795898438	200.0
161.65785217285156	140.0
161.9236602783203	148.0
162.05392456054688	1016.0
162.09262084960938	508.0
162.2505340576172	172.0
162.4534149169922	140.0
162.4737091064453	188.0
162.5396728515625	184.0
162.68942260742188	180.0
162.81129455566406	168.0
163.06060791015625	444.0
163.10308837890625	180.0
163.56387329101562	180.0
163.6275177001953	196.0
163.86181640625	156.0
163.93826293945312	164.0
164.01953125	164.0
164.07127380371094	24192.0
164.1068115234375	952.0
164.2024688720703	120.0
164.24806213378906	140.0
164.41514587402344	160.0
164.8957977294922	120.0
165.02139282226562	96.0
165.0738067626953	1808.0
165.2814178466797	248.0
165.33261108398438	140.0
165.57325744628906	172.0
165.89608764648438	180.0
165.94993591308594	152.0
166.03904724121094	528.0
166.07644653320312	144.0
166.13970947265625	156.0
166.2782745361328	148.0
166.3732452392578	152.0
166.4001922607422	132.0
166.48878479003906	144.0
166.962890625	100.0
167.03807067871094	152.0
167.1211395263672	96.0
167.1491241455078	192.0
167.2548828125	140.0
167.56655883789062	156.0
167.66705322265625	228.0
168.0323028564453	300.0
168.34552001953125	164.0
168.59352111816406	184.0
169.54586791992188	152.0
169.92703247070312	140.0
170.73236083984375	124.0
171.64108276367188	180.0
171.76365661621094	152.0
171.80540466308594	164.0
171.9384765625	180.0
171.9720001220703	1124.0
172.0773162841797	148.0
172.97569274902344	148.0
173.2208251953125	176.0
173.64686584472656	164.0
173.76490783691406	148.0
173.84100341796875	152.0
173.96791076660156	588.0
174.0660400390625	2628.0
174.21121215820312	168.0
174.45559692382812	156.0
174.50413513183594	180.0
174.56077575683594	216.0
174.64039611816406	136.0
174.8271942138672	116.0
174.86331176757812	140.0
175.0663604736328	272.0
175.2426300048828	164.0
175.68276977539062	196.0
175.8173370361328	216.0
175.8384552001953	308.0
175.87310791015625	152.0
175.9886932373047	264.0
176.0182647705078	180.0
176.071533203125	106888.0
176.10340881347656	728.0
176.135986328125	160.0
176.3385772705078	192.0
176.43063354492188	104.0
176.50645446777344	96.0
176.63026428222656	200.0
176.77479553222656	204.0
176.8657684326172	140.0
176.88670349121094	148.0
177.0743408203125	7820.0
177.1160125732422	128.0
177.26248168945312	108.0
177.4052734375	192.0
178.01145935058594	152.0
178.04481506347656	216.0
178.07615661621094	1392.0
178.2308807373047	112.0
178.29739379882812	112.0
178.42843627929688	152.0
178.44235229492188	168.0
178.5047149658203	148.0
179.02508544921875	164.0
179.045166015625	140.0
179.1882781982422	104.0
179.44342041015625	244.0
179.5198211669922	100.0
179.9988250732422	124.0
180.06578063964844	340.0
180.23880004882812	160.0
180.48202514648438	156.0
180.8404998779297	176.0
181.01451110839844	176.0
181.0386199951172	176.0
181.0735321044922	232.0
181.15110778808594	148.0
181.18057250976562	148.0
181.39834594726562	180.0
181.41908264160156	168.0
181.66580200195312	156.0
181.72061157226562	104.0
181.8214111328125	204.0
182.04217529296875	256.0
182.0737762451172	168.0
182.41500854492188	144.0
182.9126434326172	144.0
183.0800018310547	144.0
185.17947387695312	96.0
185.59262084960938	156.0
185.62515258789062	256.0
185.9072723388672	152.0
186.10043334960938	108.0
186.1352996826172	216.0
186.5645751953125	164.0
186.80116271972656	212.0
186.99281311035156	236.0
187.41371154785156	184.0
187.60720825195312	144.0
187.63638305664062	160.0
187.7271728515625	140.0
187.93638610839844	144.0
188.003173828125	12276.0
188.0721435546875	220.0
188.0927734375	284.0
188.66915893554688	152.0
189.0052490234375	1620.0
189.0800018310547	176.0
189.5250701904297	120.0
189.90411376953125	152.0
189.9996337890625	11000.0
190.08641052246094	1492.0
190.12005615234375	288.0
190.41184997558594	148.0
190.5835418701172	152.0
191.00430297851562	260.0
191.08773803710938	312.0
191.28173828125	96.0
191.72964477539062	144.0
191.9971466064453	392.0
192.4451446533203	172.0
193.051025390625	180.0
193.22537231445312	140.0
193.40611267089844	176.0
193.72178649902344	144.0
193.94622802734375	140.0
193.9794921875	160.0
194.05897521972656	776.0
194.40106201171875	144.0
195.0660858154297	896.0
195.21221923828125	144.0
195.63511657714844	164.0
195.82168579101562	232.0
195.85232543945312	140.0
196.064208984375	324.0
196.4114227294922	164.0
196.75918579101562	96.0
197.09274291992188	264.0
198.0729217529297	144.0
198.5522003173828	144.0
198.97967529296875	140.0
199.0208282470703	208.0
199.1175079345703	140.0
199.2595672607422	144.0
199.3073272705078	180.0
199.58560180664062	144.0
199.94761657714844	144.0
200.0033721923828	6312.0
200.1089324951172	144.0
200.7908477783203	200.0
201.00791931152344	964.0
201.0911407470703	144.0
201.1915283203125	160.0
201.28187561035156	144.0
201.74954223632812	128.0
201.96861267089844	148.0
202.00094604492188	3320.0
202.0789337158203	152.0
203.01019287109375	212.0
203.11199951171875	128.0
203.1839599609375	124.0
204.01055908203125	304.0
204.06997680664062	144.0
205.9479217529297	192.0
206.60824584960938	144.0
206.96600341796875	164.0
207.06991577148438	548.0
207.5648651123047	192.0
207.70538330078125	160.0
207.731201171875	208.0
207.765625	192.0
207.81089782714844	144.0
208.07659912109375	548.0
208.1100311279297	164.0
208.355712890625	264.0
208.8169403076172	208.0
209.08204650878906	204.0
209.27078247070312	212.0
209.77577209472656	140.0
209.81324768066406	160.0
210.0294647216797	132.0
210.08059692382812	172.0
211.08575439453125	164.0
211.5436553955078	184.0
211.78689575195312	160.0
211.99853515625	240.0
212.5860137939453	200.0
212.61898803710938	180.0
212.6857452392578	164.0
212.8560333251953	140.0
212.99925231933594	156.0
213.57485961914062	160.0
213.87245178222656	164.0
214.02232360839844	400.0
214.08416748046875	184.0
214.1162109375	152.0
214.57659912109375	172.0
215.0150146484375	916.0
215.1863555908203	148.0
215.25059509277344	156.0
215.59530639648438	152.0
216.03280639648438	2288.0
216.1046905517578	256.0
216.27088928222656	344.0
216.6446990966797	128.0
216.7365264892578	160.0
216.9728240966797	148.0
217.00840759277344	516.0
217.039794921875	120.0
217.12744140625	124.0
217.36988830566406	160.0
217.83082580566406	180.0
218.00064086914062	188.0
218.03140258789062	1164.0
218.11770629882812	24824.0
218.20126342773438	156.0
218.23814392089844	148.0
218.32542419433594	100.0
218.36785888671875	164.0
218.60397338867188	196.0
218.72767639160156	144.0
218.78797912597656	116.0
218.93417358398438	148.0
219.02777099609375	96.0
219.1219024658203	4596.0
219.17237854003906	220.0
219.27316284179688	180.0
219.31784057617188	156.0
219.4768524169922	108.0
220.03065490722656	124.0
220.12033081054688	192.0
220.49562072753906	136.0
220.6548614501953	300.0
220.84317016601562	108.0
221.08203125	120.0
221.3404541015625	148.0
222.16400146484375	152.0
222.6159210205078	124.0
222.6957244873047	180.0
222.81454467773438	148.0
223.2812042236328	172.0
224.2840118408203	128.0
224.3799591064453	164.0
226.12742614746094	148.0
226.45974731445312	176.0
226.72039794921875	148.0
227.01370239257812	420.0
227.2001495361328	180.0
227.26353454589844	124.0
227.4882354736328	168.0
227.7675018310547	156.0
228.0218963623047	5116.0
228.0924530029297	136.0
228.95249938964844	172.0
229.02081298828125	704.0
229.07598876953125	144.0
229.20835876464844	120.0
229.36526489257812	148.0
229.54615783691406	160.0
229.775390625	164.0
229.83168029785156	160.0
229.90850830078125	168.0
230.0190887451172	3560.0
230.06353759765625	184.0
231.04441833496094	1448.0
231.09664916992188	164.0
231.16482543945312	136.0
231.3166046142578	196.0
231.3498992919922	160.0
231.65878295898438	148.0
231.99917602539062	136.0
232.9952392578125	96.0
233.04225158691406	656.0
233.2821807861328	116.0
233.40390014648438	168.0
233.47019958496094	164.0
233.56507873535156	168.0
233.79022216796875	144.0
233.82064819335938	140.0
233.90586853027344	212.0
234.0430908203125	144.0
235.0352020263672	184.0
235.09756469726562	148.0
235.26283264160156	108.0
235.4317169189453	152.0
235.60650634765625	120.0
235.69607543945312	220.0
235.86721801757812	160.0
236.0720672607422	164.0
236.15847778320312	156.0
236.40855407714844	144.0
236.7759246826172	164.0
237.20181274414062	152.0
237.5716552734375	264.0
237.646484375	156.0
237.68023681640625	140.0
237.7784423828125	156.0
237.9748992919922	244.0
238.30345153808594	148.0
238.34210205078125	188.0
238.85997009277344	176.0
239.4170379638672	144.0
239.45399475097656	156.0
239.64190673828125	160.0
240.1841583251953	116.0
240.36700439453125	140.0
240.6905975341797	176.0
241.030517578125	140.0
241.1453857421875	168.0
241.4486083984375	164.0
241.6611328125	172.0
242.0320587158203	228.0
242.0835723876953	160.0
242.19668579101562	164.0
242.42672729492188	160.0
242.55905151367188	148.0
242.7731475830078	176.0
243.0455780029297	19676.0
243.14486694335938	184.0
243.27471923828125	116.0
243.30213928222656	188.0
244.04721069335938	2152.0
244.0888214111328	148.0
244.13125610351562	120.0
244.53787231445312	116.0
244.93630981445312	196.0
244.97142028808594	204.0
245.0417022705078	9572.0
245.3538818359375	156.0
245.62301635742188	100.0
245.70492553710938	196.0
245.9247283935547	176.0
246.0439910888672	940.0
246.27928161621094	172.0
247.03944396972656	488.0
247.0994110107422	176.0
247.82806396484375	100.0
247.92005920410156	148.0
248.79515075683594	188.0
249.11700439453125	304.0
249.13087463378906	204.0
250.1233673095703	160.0
250.29486083984375	216.0
250.4176788330078	152.0
250.57127380371094	100.0
251.09967041015625	144.0
251.12921142578125	460.0
251.3981475830078	156.0
251.88839721679688	116.0
252.13404846191406	232.0
252.19717407226562	240.0
252.24774169921875	192.0
252.51333618164062	240.0
253.12814331054688	160.0
253.162109375	252.0
253.8085479736328	160.0
254.04322814941406	260.0
254.13491821289062	160.0
254.2716827392578	148.0
254.38710021972656	168.0
254.87924194335938	100.0
255.04995727539062	304.0
255.12612915039062	184.0
255.87692260742188	176.0
255.9374237060547	152.0
256.0540771484375	176.0
256.09515380859375	128.0
256.1412353515625	152.0
256.4235534667969	132.0
257.05914306640625	372.0
257.2317810058594	200.0
257.2796630859375	184.0
257.6149597167969	156.0
257.86419677734375	192.0
257.9792785644531	176.0
258.0592041015625	140.0
258.4166564941406	136.0
258.5294189453125	184.0
258.9039611816406	176.0
259.17303466796875	160.0
259.2210998535156	156.0
259.796142578125	224.0
259.9779052734375	140.0
260.06134033203125	164.0
260.08380126953125	148.0
260.2378845214844	144.0
260.2906188964844	168.0
260.3310241699219	144.0
260.6329650878906	176.0
260.76300048828125	120.0
261.1588439941406	1276.0
261.4851379394531	192.0
261.60711669921875	196.0
261.74267578125	168.0
261.961669921875	140.0
262.16302490234375	392.0
262.20654296875	144.0
262.3354797363281	248.0
262.6450500488281	152.0
262.6868896484375	132.0
262.764404296875	152.0
263.2776184082031	172.0
263.5942077636719	160.0
263.691162109375	156.0
263.8624572753906	176.0
264.10595703125	192.0
264.27569580078125	132.0
264.3411560058594	200.0
264.5677185058594	172.0
264.674560546875	144.0
265.8220520019531	196.0
266.2895202636719	168.0
266.3447570800781	164.0
266.8549499511719	144.0
267.1443786621094	160.0
267.640625	160.0
267.8304138183594	148.0
267.9517517089844	184.0
268.36724853515625	100.0
269.13568115234375	192.0
269.1944580078125	260.0
269.5603332519531	140.0
269.7073974609375	212.0
269.8318786621094	100.0
270.43023681640625	164.0
271.12664794921875	100.0
272.0921630859375	152.0
272.8047790527344	144.0
272.8477783203125	156.0
273.3378601074219	140.0
273.400390625	148.0
273.6538391113281	204.0
273.7065124511719	140.0
275.0549011230469	144.0
275.17388916015625	140.0
275.5667724609375	152.0
275.8906555175781	204.0
276.17791748046875	148.0
276.2544250488281	164.0
276.31396484375	228.0
276.3813781738281	160.0
277.1463317871094	140.0
277.8312683105469	176.0
278.3291320800781	160.0
279.3860168457031	168.0
279.81072998046875	228.0
279.9252014160156	144.0
280.9317626953125	148.0
282.070068359375	108.0
282.1116027832031	140.0
282.15069580078125	148.0
283.0272521972656	140.0
283.0775146484375	704.0
283.3866882324219	180.0
283.4276123046875	284.0
283.466064453125	180.0
283.97564697265625	152.0
284.0740966796875	308.0
284.166748046875	132.0
284.3719482421875	100.0
284.6307678222656	180.0
284.68304443359375	168.0
284.7189025878906	304.0
284.8769836425781	176.0
284.9100036621094	112.0
284.9607849121094	268.0
285.01702880859375	172.0
285.09320068359375	159172.0
285.19677734375	212.0
285.3123474121094	188.0
285.39044189453125	108.0
285.55291748046875	176.0
285.64556884765625	388.0
285.7205810546875	116.0
285.8013000488281	200.0
285.8544616699219	176.0
285.95697021484375	260.0
286.01934814453125	132.0
286.0955810546875	25796.0
286.2140197753906	104.0
286.38580322265625	228.0
286.4373779296875	176.0
286.51275634765625	124.0
286.6076965332031	176.0
286.6624755859375	140.0
286.7644348144531	112.0
286.8084716796875	176.0
286.8564453125	140.0
286.97430419921875	176.0
287.01983642578125	176.0
287.0899963378906	85564.0
287.1819763183594	504.0
287.2086486816406	268.0
287.3412170410156	156.0
287.3985595703125	148.0
287.4720764160156	108.0
287.7000427246094	120.0
287.8228454589844	132.0
287.8583068847656	168.0
287.9981384277344	276.0
288.0926208496094	10200.0
288.20257568359375	104.0
288.2462463378906	152.0
288.3656311035156	120.0
288.5943908691406	144.0
288.6324462890625	168.0
288.6893615722656	148.0
288.80841064453125	180.0
288.8418273925781	116.0
289.08673095703125	4852.0
289.49560546875	112.0
289.5973205566406	100.0
289.72381591796875	204.0
289.7793273925781	116.0
289.8663024902344	160.0
289.9798278808594	160.0
290.1078186035156	116.0
290.3929138183594	120.0
290.4256896972656	156.0
290.5987548828125	228.0
290.6401062011719	132.0
290.8705749511719	144.0
290.9393615722656	96.0
291.0048522949219	180.0
291.3222351074219	116.0
291.5517578125	144.0
291.7311706542969	96.0
292.32037353515625	136.0
292.35894775390625	156.0
292.59259033203125	144.0
292.85137939453125	140.0
294.00372314453125	176.0
294.5767822265625	152.0
294.9617004394531	128.0
295.1138610839844	208.0
295.5550842285156	144.0
297.6459655761719	144.0
299.00384521484375	152.0
299.17938232421875	200.0
299.63983154296875	104.0
299.7201232910156	168.0
300.0583801269531	140.0
300.79071044921875	168.0
300.9721984863281	200.0
301.0816650390625	120.0
301.5368347167969	168.0
301.6528015136719	144.0
302.2491760253906	136.0
303.2787170410156	176.0
303.4737854003906	140.0
303.56939697265625	104.0
304.7371520996094	140.0
305.3802490234375	164.0
305.4658203125	140.0
306.191162109375	204.0
306.5395202636719	160.0
306.603515625	112.0
307.1312561035156	164.0
307.8918151855469	136.0
308.6373596191406	156.0
309.6837158203125	144.0
310.0340576171875	160.0
310.6539001464844	164.0
311.0898132324219	148.0
311.40582275390625	224.0
311.9117736816406	140.0
312.72076416015625	160.0
313.3299560546875	176.0
315.9447937011719	156.0
316.12994384765625	148.0
316.97271728515625	144.0
318.2720031738281	148.0
318.58349609375	160.0
319.01702880859375	156.0
319.1114196777344	180.0
320.3764343261719	144.0
320.4619140625	160.0
320.8183288574219	156.0
321.3497009277344	184.0
321.7601318359375	152.0
323.081787109375	160.0
323.3471984863281	152.0
323.9072265625	176.0
324.1529541015625	188.0
324.6153869628906	168.0
324.6907043457031	140.0
324.8715515136719	132.0
324.9085693359375	124.0
325.1606750488281	208.0
325.5376281738281	176.0
325.72796630859375	172.0
326.1231994628906	144.0
326.16448974609375	112.0
326.4252014160156	160.0
327.2436218261719	152.0
327.6129150390625	176.0
328.5693664550781	248.0
329.5105285644531	140.0
330.34564208984375	192.0
330.5673828125	136.0
330.9355163574219	164.0
331.0591735839844	140.0
331.9428405761719	240.0
332.33685302734375	176.0
332.6087646484375	172.0
332.8089599609375	148.0
333.35479736328125	152.0
333.4675598144531	140.0
333.7402038574219	196.0
334.1531982421875	292.0
334.75177001953125	168.0
334.9557189941406	140.0
335.01263427734375	128.0
335.0864562988281	144.0
335.5788879394531	148.0
336.848876953125	148.0
338.0041809082031	136.0
338.1761779785156	172.0
338.40313720703125	152.0
339.0514831542969	148.0
339.21356201171875	144.0
339.6307678222656	148.0
339.7818603515625	128.0
339.8471984863281	156.0
340.6585693359375	196.0
341.18408203125	164.0
341.250244140625	160.0
341.3053894042969	140.0
342.22894287109375	156.0
342.7935791015625	124.0
342.9288635253906	160.0
343.7628173828125	148.0
344.4240417480469	136.0
345.36199951171875	140.0
345.8059997558594	152.0
346.1598815917969	176.0
346.3650817871094	160.0
346.5802917480469	220.0
346.81341552734375	164.0
347.4184265136719	132.0
347.6219177246094	164.0
347.81915283203125	136.0
347.9522399902344	176.0
348.0265197753906	148.0
348.2010498046875	184.0
348.37933349609375	144.0
348.8958740234375	176.0
350.4184265136719	236.0
350.54925537109375	144.0
350.8279724121094	152.0
351.93670654296875	112.0
352.2315979003906	144.0
353.26898193359375	132.0
354.2012634277344	168.0
354.25103759765625	160.0
355.06439208984375	184.0
355.1946105957031	172.0
355.3630676269531	140.0
355.4657897949219	176.0
355.91998291015625	204.0
356.76531982421875	168.0
357.1319580078125	140.0
357.6078796386719	164.0
357.8902282714844	168.0
358.3007507324219	160.0
358.9000244140625	148.0
360.31158447265625	172.0
360.54205322265625	192.0
360.88226318359375	144.0
361.26678466796875	236.0
361.4155578613281	164.0
361.50653076171875	116.0
361.72589111328125	168.0
362.1954345703125	144.0
362.36590576171875	196.0
362.97991943359375	152.0
363.2681579589844	296.0
363.3326721191406	148.0
363.7197265625	148.0
364.0683288574219	132.0
364.38427734375	156.0
365.63531494140625	148.0
365.78753662109375	156.0
365.9034729003906	124.0
366.2825622558594	140.0
367.0905456542969	168.0
367.361328125	164.0
367.7467041015625	180.0
368.0903015136719	148.0
368.20867919921875	176.0
368.47607421875	144.0
368.6059875488281	168.0
368.9117431640625	152.0
369.1296691894531	168.0
370.2309875488281	160.0
371.40838623046875	132.0
371.6922607421875	152.0
371.849609375	176.0
372.7720642089844	104.0
373.4479064941406	164.0
373.93267822265625	172.0
374.1289978027344	196.0
374.8646545410156	164.0
374.9031677246094	236.0
375.3924865722656	116.0
375.5740051269531	164.0
375.9268798828125	148.0
376.01385498046875	172.0
376.4469299316406	108.0
376.6741027832031	140.0
376.8861389160156	104.0
377.7757873535156	168.0
378.6931457519531	176.0
378.7943420410156	160.0
378.8442077636719	176.0
379.5743103027344	160.0
379.9451904296875	144.0
380.0033874511719	152.0
380.2362060546875	192.0
380.3423156738281	108.0
380.58282470703125	164.0
381.51025390625	184.0
382.7630310058594	156.0
384.0545349121094	120.0
384.4197082519531	176.0
384.5704650878906	152.0
384.65777587890625	140.0
385.5951843261719	180.0
385.7749938964844	228.0
385.90789794921875	156.0
386.33526611328125	116.0
386.91729736328125	172.0
387.75811767578125	244.0
388.5044860839844	180.0
388.8458557128906	140.0
389.0436096191406	104.0
389.1114501953125	132.0
390.1095886230469	124.0
390.29541015625	140.0
390.34259033203125	148.0
391.1412353515625	168.0
391.77520751953125	172.0
392.5713806152344	192.0
392.5989990234375	140.0
393.1078796386719	164.0
393.5894470214844	160.0
393.9527893066406	140.0
394.06195068359375	256.0
394.22882080078125	168.0
394.5495300292969	160.0
394.8065490722656	156.0
395.16253662109375	196.0
395.751220703125	136.0
395.9171142578125	108.0
396.44342041015625	124.0
397.1676330566406	132.0
397.4645690917969	144.0
397.5201110839844	140.0
397.7145690917969	200.0
398.3116760253906	144.0
398.6876220703125	160.0
398.86248779296875	248.0
398.9699401855469	140.0
399.4217224121094	144.0
401.0476989746094	160.0
401.5620422363281	184.0
401.6378173828125	152.0
401.8582458496094	288.0
402.0196228027344	160.0
402.2004089355469	112.0
403.86871337890625	308.0
404.0641174316406	160.0
405.7486572265625	140.0
405.9472351074219	152.0
406.19781494140625	172.0
406.65924072265625	160.0
407.5708312988281	192.0
407.6175537109375	184.0
409.1313171386719	188.0
409.63067626953125	160.0
409.8683776855469	148.0
410.1177673339844	104.0
410.1652526855469	168.0
410.3716125488281	168.0
410.8037109375	160.0
411.17291259765625	224.0
411.7072448730469	220.0
412.17193603515625	156.0
412.287841796875	236.0
412.3820495605469	104.0
412.4471740722656	180.0
412.60076904296875	184.0
413.2574157714844	100.0
413.5837707519531	144.0
413.76971435546875	128.0
414.0007629394531	164.0
414.0696105957031	152.0
414.1789855957031	360.0
414.24737548828125	140.0
414.5476379394531	160.0
414.6261291503906	120.0
415.1632080078125	132.0
415.628662109375	156.0
415.69403076171875	120.0
415.853515625	160.0
416.0280456542969	232.0
417.0069885253906	180.0
417.2305603027344	148.0
417.5005798339844	208.0
419.1147155761719	244.0
419.9798583984375	172.0
420.060791015625	200.0
420.12725830078125	148.0
420.7530822753906	180.0
421.1260986328125	168.0
421.1857604980469	120.0
421.94744873046875	140.0
422.0660400390625	188.0
422.2781066894531	140.0
422.6959533691406	216.0
422.7737121582031	144.0
422.8905334472656	212.0
422.9865417480469	140.0
423.4573974609375	156.0
423.5331726074219	148.0
425.1043701171875	124.0
426.6908874511719	152.0
426.7607727050781	172.0
426.7895812988281	240.0
426.95404052734375	140.0
427.5670471191406	140.0
428.2916564941406	140.0
428.4589538574219	104.0
429.0663757324219	172.0
429.4085998535156	156.0
429.6839599609375	128.0
429.8324279785156	152.0
429.9920349121094	164.0
430.49151611328125	220.0
430.94952392578125	168.0
432.13909912109375	164.0
432.3360595703125	136.0
432.38739013671875	148.0
432.4205017089844	152.0
432.8841552734375	184.0
432.9545593261719	176.0
433.46209716796875	176.0
435.2955017089844	124.0
435.359375	188.0
436.2157287597656	156.0
436.30718994140625	104.0
436.3612365722656	228.0
437.2161865234375	140.0
438.25079345703125	144.0
438.5466613769531	148.0
438.60919189453125	176.0
438.705078125	168.0
439.0159912109375	132.0
439.8104553222656	152.0
439.9018249511719	208.0
440.1079406738281	244.0
440.9327087402344	120.0
441.02069091796875	128.0
441.0836486816406	168.0
441.1593933105469	120.0
441.2166442871094	140.0
441.28680419921875	188.0
441.36944580078125	136.0
441.4021911621094	172.0
441.9461669921875	156.0
442.27655029296875	212.0
442.3584899902344	132.0
442.51873779296875	112.0
442.70697021484375	144.0
442.9607238769531	264.0
443.0571594238281	96.0
443.2900390625	184.0
443.3990173339844	168.0
443.4283447265625	168.0
443.4869689941406	300.0
443.78045654296875	200.0
443.8516540527344	96.0
443.91650390625	120.0
444.0178527832031	176.0
444.048583984375	156.0
444.236572265625	180.0
444.3115539550781	184.0
444.37237548828125	160.0
444.7077941894531	132.0
444.8642883300781	116.0
445.0362854003906	192.0
445.2058410644531	244.0
445.2565612792969	112.0
445.28729248046875	200.0
445.36907958984375	164.0
445.4073791503906	348.0
445.4834899902344	228.0
445.5848388671875	256.0
445.66998291015625	208.0
445.7762756347656	104.0
445.8485412597656	216.0
445.9267883300781	268.0
445.9586486816406	448.0
445.9945068359375	220.0
446.02496337890625	148.0
446.13763427734375	404.0
446.1969299316406	212.0
446.2563171386719	240.0
446.3138122558594	252.0
446.3768615722656	292.0
446.41339111328125	304.0
446.4626159667969	204.0
446.572509765625	312.0
446.6362609863281	252.0
446.68310546875	232.0
446.7395935058594	140.0
446.8194885253906	152.0
446.87408447265625	160.0
446.91351318359375	168.0
447.0237731933594	220.0
447.0727233886719	124.0
447.1395263671875	396.0
447.2259826660156	116.0
447.2949523925781	308.0
447.3538513183594	132.0
447.39337158203125	292.0
447.4216613769531	204.0
447.4974060058594	276.0
447.5599365234375	316.0
447.6150817871094	132.0
447.67974853515625	256.0
447.744384765625	436.0
447.78826904296875	488.0
447.8074035644531	420.0
447.8603210449219	584.0
447.92999267578125	388.0
447.9686584472656	460.0
448.0191955566406	732.0
448.0522155761719	968.0
448.1581726074219	236768.0
448.30218505859375	252.0
448.4540710449219	396.0
448.5505676269531	1248.0
448.6126708984375	768.0
448.67169189453125	276.0
448.7661437988281	256.0
448.7976379394531	620.0
448.8564453125	11596.0
448.90447998046875	588.0
448.91546630859375	516.0
448.9968566894531	384.0
449.03668212890625	360.0
449.1610412597656	164540.0
449.3124694824219	204.0
449.4638977050781	572.0
449.5701599121094	480.0
449.69964599609375	184.0
449.73358154296875	428.0
449.792724609375	176.0
449.8610534667969	1136.0
449.90899658203125	532.0
449.93743896484375	464.0
449.9803161621094	420.0
450.0285339355469	456.0
450.0918273925781	688.0
450.1558837890625	219068.0
450.29833984375	204.0
450.3895263671875	132.0
450.4692687988281	212.0
450.5475769042969	516.0
450.6125793457031	380.0
450.6939697265625	224.0
450.7628479003906	140.0
450.78790283203125	344.0
450.8531188964844	3596.0
450.9017333984375	672.0
451.0259704589844	232.0
451.0678405761719	228.0
451.15771484375	78364.0
451.29986572265625	484.0
451.3453674316406	100.0
451.42327880859375	188.0
451.47894287109375	384.0
451.5438232421875	260.0
451.57818603515625	332.0
451.5930480957031	432.0
451.65673828125	280.0
451.7152404785156	152.0
451.80548095703125	272.0
451.8668212890625	436.0
451.9053039550781	624.0
451.9932861328125	388.0
452.0823974609375	176.0
452.15264892578125	19092.0
452.2587890625	168.0
452.32403564453125	196.0
452.4439697265625	156.0
452.5397644042969	140.0
452.6136169433594	136.0
452.6549987792969	320.0
452.7822570800781	152.0
452.84539794921875	148.0
452.8836364746094	312.0
452.9172668457031	188.0
452.98248291015625	144.0
453.05084228515625	112.0
453.0986328125	124.0
453.1455078125	164.0
453.196044921875	328.0
453.2609558105469	280.0
453.30523681640625	216.0
453.3502502441406	132.0
453.3863830566406	152.0
453.4413757324219	196.0
453.494873046875	208.0
453.554443359375	156.0
453.6154479980469	204.0
453.64825439453125	268.0
453.73333740234375	100.0
453.7633056640625	316.0
453.80889892578125	124.0
453.8761291503906	240.0
453.9546813964844	104.0
453.9730224609375	124.0
454.01812744140625	208.0
454.05169677734375	172.0
454.09991455078125	244.0
454.1344909667969	304.0
454.19830322265625	192.0
454.2517395019531	152.0
454.4869384765625	104.0
454.54486083984375	224.0
454.6596984863281	140.0
454.90625	108.0
455.03753662109375	188.0
455.15716552734375	108.0
455.1898193359375	140.0
455.2727966308594	140.0
455.60760498046875	152.0
455.7140808105469	184.0
455.8810119628906	128.0
456.1014404296875	276.0
456.2456970214844	96.0
457.01385498046875	104.0
457.4093322753906	192.0
457.7219543457031	120.0
459.9863586425781	104.0
460.35455322265625	96.0
462.1612854003906	108.0
463.0937805175781	128.0
463.2497253417969	112.0
464.0430908203125	100.0
464.20428466796875	120.0
464.8184509277344	176.0
465.07330322265625	156.0
465.9260559082031	124.0
466.4351806640625	128.0
467.0437316894531	136.0
468.0877685546875	132.0
468.2592468261719	152.0
468.8650817871094	128.0
469.4055480957031	164.0
469.830322265625	100.0
479.236328125	140.0
491.3062438964844	148.0
496.81689453125	104.0
501.94879150390625	112.0
510.1622619628906	164.0
531.0513305664062	140.0
569.0625610351562	144.0
599.1227416992188	104.0
608.8641967773438	168.0
617.765869140625	156.0
621.1293334960938	188.0
639.4608764648438	96.0
642.0035400390625	184.0
659.3658447265625	100.0
684.0415649414062	112.0
689.6626586914062	164.0
705.6212768554688	96.0
711.5060424804688	108.0
721.3883056640625	112.0
739.37158203125	148.0
766.2723999023438	132.0
770.56298828125	232.0
775.2606811523438	176.0
814.9635620117188	144.0
925.3203735351562	96.0
943.5526123046875	96.0
952.645263671875	260.0
965.838623046875	100.0
1146.5218505859375	160.0
1235.6646728515625	176.0
1247.9886474609375	144.0
1287.2078857421875	192.0
1295.3682861328125	188.0
1301.4930419921875	200.0
1301.8807373046875	172.0
1330.8367919921875	140.0
1346.189453125	168.0
1349.1016845703125	156.0
1360.3463134765625	172.0
1369.4923095703125	116.0
1392.718505859375	232.0
1410.340087890625	148.0
1418.11669921875	152.0
1430.7813720703125	148.0
1467.366943359375	160.0
1474.8785400390625	216.0
1480.04248046875	184.0
1482.1871337890625	200.0
1484.1263427734375	172.0
1487.58642578125	180.0
1489.37548828125	320.0
1490.374267578125	156.0
1511.431884765625	208.0
1512.0355224609375	176.0
1512.724365234375	164.0
1514.4898681640625	192.0
1528.4093017578125	188.0
1534.6092529296875	168.0
1540.0093994140625	148.0
1540.26708984375	144.0
1542.7598876953125	148.0
1545.998046875	188.0
1549.740966796875	208.0
1552.9000244140625	188.0
1553.40771484375	224.0
1568.58642578125	204.0
1568.6810302734375	180.0
1579.396240234375	160.0
1593.2845458984375	152.0
1603.0631103515625	188.0
1603.9158935546875	156.0
1604.6334228515625	188.0
1624.843505859375	180.0
1625.8385009765625	152.0
1633.439208984375	184.0
1660.9759521484375	180.0
1665.6748046875	176.0
1672.448974609375	168.0
1677.2139892578125	152.0
1678.53466796875	188.0
1688.2440185546875	172.0
1689.7572021484375	140.0
1692.7447509765625	176.0
1719.1983642578125	164.0
1733.58740234375	144.0
1737.650390625	180.0
1738.9697265625	180.0
1740.646728515625	140.0
1742.5155029296875	160.0
1744.958984375	224.0
1745.0421142578125	180.0
1757.7275390625	144.0
1765.0447998046875	152.0
1776.331298828125	188.0
1780.321044921875	140.0
1781.888427734375	152.0
1788.2069091796875	184.0
1788.8297119140625	172.0
1789.3179931640625	216.0
1793.470947265625	236.0
1799.5194091796875	168.0
1800.346923828125	160.0
1804.5887451171875	192.0
1805.036376953125	112.0
1812.7569580078125	156.0
1820.6376953125	176.0
1822.531982421875	192.0
1825.8387451171875	196.0
1829.029296875	160.0
1830.8084716796875	136.0
1831.984130859375	168.0
1839.5224609375	144.0
1844.2513427734375	164.0
1844.63818359375	164.0
1852.2720947265625	148.0
1855.2884521484375	160.0
1856.41162109375	192.0
1865.05712890625	172.0
1869.1593017578125	152.0
1869.727294921875	156.0
1870.579345703125	148.0
1873.033447265625	152.0
1874.4205322265625	176.0
1875.75634765625	168.0
1885.7083740234375	192.0
1897.775634765625	160.0
1898.451904296875	180.0
1899.9525146484375	160.0
1904.0755615234375	176.0
1906.8817138671875	196.0
1912.3262939453125	184.0
1913.571044921875	148.0
1921.222900390625	152.0
1922.3746337890625	164.0
1922.53173828125	148.0
1923.1397705078125	144.0
1924.81005859375	180.0
1928.828857421875	148.0
1934.90869140625	208.0
1943.9892578125	192.0
1945.5228271484375	192.0
1950.7696533203125	196.0
1952.0269775390625	140.0
1957.200927734375	140.0
1961.359130859375	204.0
1961.535400390625	172.0
1963.087158203125	144.0
1966.8719482421875	152.0
1971.6590576171875	208.0
1972.7816162109375	180.0
1975.186767578125	144.0
1975.4698486328125	140.0
1977.451904296875	160.0
1978.629150390625	160.0
1980.23193359375	184.0
1990.083984375	152.0
1993.8592529296875	192.0
1996.9976806640625	164.0
2001.03759765625	212.0
2002.275390625	184.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079011
PEPMASS=385.242859
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="[(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)C
INCHI=InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1
INCHIAUX=RQZAXGRLVPAYTJ-GQFGMJRRSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079011
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079011
SCANS=2253
44.899391174316406	176.0
44.999473571777344	164.0
45.86475372314453	216.0
46.735557556152344	192.0
46.86354446411133	160.0
46.9289665222168	164.0
47.58296203613281	160.0
47.81251907348633	204.0
48.26729965209961	244.0
49.18190383911133	184.0
51.8381462097168	152.0
51.8768424987793	216.0
52.16825866699219	172.0
54.04795837402344	176.0
54.50193405151367	184.0
55.29242706298828	164.0
55.54926300048828	176.0
55.966880798339844	264.0
62.557273864746094	188.0
63.68153381347656	180.0
63.76573944091797	152.0
63.8865852355957	152.0
64.43020629882812	160.0
64.7997817993164	192.0
65.3022232055664	204.0
65.74527740478516	208.0
66.25460815429688	156.0
66.6033706665039	156.0
67.39839172363281	148.0
67.74032592773438	232.0
68.35929870605469	152.0
68.89537811279297	128.0
69.32865905761719	228.0
69.36843872070312	216.0
69.4132080078125	160.0
70.40835571289062	200.0
70.4317398071289	148.0
72.75056457519531	188.0
73.20964050292969	224.0
73.47212982177734	160.0
73.75559997558594	184.0
74.11327362060547	172.0
76.66909790039062	272.0
76.85044860839844	156.0
77.99401092529297	152.0
78.0995101928711	228.0
78.1329345703125	160.0
78.15404510498047	184.0
78.64042663574219	236.0
79.25406646728516	148.0
79.7740707397461	140.0
80.24227905273438	164.0
81.59040069580078	144.0
81.6407470703125	164.0
81.94854736328125	172.0
83.21460723876953	200.0
84.31848907470703	160.0
85.25130462646484	180.0
85.71686553955078	144.0
86.1744613647461	216.0
86.4481201171875	148.0
87.84345245361328	144.0
88.76174926757812	144.0
89.26687622070312	180.0
89.52845001220703	276.0
90.86293029785156	176.0
91.3943099975586	124.0
93.2594985961914	176.0
93.64815521240234	144.0
93.92185974121094	212.0
94.1573257446289	172.0
94.67562103271484	156.0
94.89845275878906	144.0
95.38184356689453	180.0
96.72190856933594	148.0
97.06652069091797	196.0
97.80934143066406	164.0
97.94126892089844	180.0
98.07525634765625	168.0
98.4580078125	144.0
99.04542541503906	176.0
99.08252716064453	516.0
99.24954986572266	196.0
99.58293914794922	176.0
99.61273956298828	172.0
100.08208465576172	148.0
100.20756530761719	172.0
100.53282928466797	128.0
102.33663177490234	152.0
102.63282012939453	180.0
102.7255859375	152.0
104.63867950439453	140.0
105.07086944580078	604.0
105.17890167236328	184.0
106.06663513183594	172.0
106.34969329833984	148.0
107.08830261230469	512.0
108.08906555175781	180.0
109.1080322265625	312.0
109.4715576171875	168.0
109.51737976074219	140.0
110.62762451171875	132.0
111.07765197753906	128.0
112.54354858398438	180.0
112.87317657470703	164.0
113.06144714355469	176.0
113.51500701904297	188.0
114.05403900146484	184.0
115.48260498046875	160.0
115.98577117919922	184.0
116.5501937866211	160.0
117.07721710205078	172.0
117.69825744628906	144.0
119.04947662353516	144.0
119.08668518066406	452.0
119.92406463623047	212.0
120.55477905273438	188.0
120.75810241699219	200.0
121.06417846679688	828.0
121.10021209716797	256.0
121.40196990966797	204.0
121.59283447265625	264.0
122.06873321533203	324.0
122.29174041748047	176.0
123.08468627929688	172.0
123.11849975585938	172.0
124.08546447753906	204.0
124.24958038330078	156.0
124.28375244140625	188.0
124.90987396240234	136.0
125.06200408935547	172.0
125.09849548339844	192.0
125.45269775390625	144.0
125.96370697021484	176.0
128.06173706054688	156.0
128.6855926513672	148.0
129.0728302001953	264.0
129.2689971923828	148.0
129.6106719970703	164.0
130.00978088378906	176.0
130.15505981445312	324.0
130.27769470214844	212.0
130.8712921142578	144.0
131.08509826660156	996.0
131.1173095703125	148.0
131.16744995117188	184.0
132.87342834472656	144.0
133.10238647460938	2140.0
133.97723388671875	144.0
134.10459899902344	524.0
134.12442016601562	192.0
134.88845825195312	156.0
135.0792999267578	600.0
135.11651611328125	340.0
135.8100128173828	160.0
136.30218505859375	192.0
136.8536834716797	156.0
137.09695434570312	420.0
138.0994110107422	156.0
139.07427978515625	192.0
139.656982421875	188.0
139.73226928710938	188.0
141.07485961914062	308.0
141.76052856445312	176.0
142.0786895751953	388.0
142.71237182617188	168.0
143.08493041992188	596.0
143.47900390625	140.0
143.6984100341797	212.0
143.7604522705078	184.0
144.0541229248047	184.0
144.0939178466797	304.0
145.0626220703125	276.0
145.10121154785156	1816.0
145.5125732421875	144.0
146.0801544189453	180.0
146.1099090576172	184.0
146.4576416015625	152.0
147.0218048095703	140.0
147.08091735839844	852.0
147.1170196533203	912.0
148.08340454101562	148.0
148.1220703125	156.0
149.095703125	904.0
149.13375854492188	176.0
149.20831298828125	144.0
149.7687530517578	168.0
150.09254455566406	176.0
150.1367645263672	188.0
151.11024475097656	720.0
153.0798797607422	168.0
153.19569396972656	192.0
153.97512817382812	168.0
154.12977600097656	240.0
155.08363342285156	872.0
155.21987915039062	164.0
155.5796356201172	164.0
156.09210205078125	1012.0
156.6987762451172	196.0
156.82835388183594	164.0
157.10186767578125	1496.0
157.62945556640625	180.0
157.87693786621094	144.0
158.06956481933594	188.0
158.1044464111328	280.0
158.33741760253906	160.0
159.08236694335938	332.0
159.11614990234375	996.0
159.3005828857422	224.0
159.42620849609375	168.0
159.8461456298828	156.0
160.03213500976562	144.0
160.08499145507812	304.0
160.12033081054688	320.0
160.88455200195312	152.0
161.0562744140625	160.0
161.0963897705078	2120.0
161.1350860595703	540.0
161.50112915039062	164.0
162.10142517089844	136.0
163.0629425048828	192.0
163.11129760742188	616.0
163.1478729248047	176.0
163.80242919921875	208.0
164.0148468017578	144.0
164.114501953125	184.0
164.5990753173828	168.0
164.80853271484375	172.0
165.09226989746094	252.0
165.12704467773438	352.0
165.49143981933594	140.0
166.0743408203125	148.0
166.13140869140625	152.0
166.9000701904297	212.0
167.08477783203125	236.0
167.24221801757812	148.0
168.06520080566406	164.0
168.09231567382812	160.0
168.29917907714844	144.0
169.10052490234375	1984.0
170.0802764892578	168.0
170.11065673828125	216.0
170.62060546875	152.0
170.9951629638672	140.0
171.0821533203125	784.0
171.11766052246094	1516.0
171.8785858154297	164.0
172.08941650390625	184.0
172.1178741455078	420.0
172.259765625	144.0
173.0955810546875	1356.0
173.13107299804688	1072.0
174.10205078125	584.0
175.11207580566406	4448.0
175.24000549316406	172.0
175.7356719970703	224.0
176.117919921875	756.0
176.77146911621094	148.0
176.84820556640625	188.0
177.092041015625	168.0
177.12843322753906	488.0
177.55294799804688	156.0
178.08729553222656	144.0
178.12936401367188	140.0
178.22189331054688	140.0
179.08836364746094	352.0
179.1044464111328	188.0
180.10861206054688	184.0
181.10028076171875	752.0
181.2342987060547	180.0
181.78501892089844	168.0
182.10702514648438	308.0
182.82666015625	148.0
183.11683654785156	3680.0
184.12191772460938	468.0
184.96507263183594	172.0
185.09657287597656	988.0
185.13259887695312	1324.0
185.22987365722656	184.0
186.13377380371094	304.0
187.11180114746094	4624.0
187.13986206054688	356.0
188.11756896972656	616.0
188.70211791992188	200.0
189.12741088867188	1376.0
189.3506317138672	184.0
189.6163787841797	172.0
190.21157836914062	148.0
191.10073852539062	152.0
191.14564514160156	280.0
191.553466796875	140.0
192.14892578125	144.0
193.01895141601562	148.0
193.0977325439453	568.0
194.1088409423828	520.0
194.7899169921875	180.0
195.1179962158203	1268.0
195.34864807128906	144.0
195.4348907470703	144.0
196.120361328125	396.0
196.7447967529297	180.0
197.0631866455078	160.0
197.1001739501953	240.0
197.13226318359375	1516.0
198.1004180908203	232.0
198.13983154296875	1792.0
198.98728942871094	176.0
199.02659606933594	172.0
199.1116485595703	452.0
199.1466522216797	1752.0
199.2249755859375	108.0
199.3153076171875	184.0
199.3777313232422	192.0
199.4348602294922	172.0
200.11183166503906	176.0
200.1554718017578	816.0
200.2217254638672	152.0
200.28367614746094	152.0
200.58236694335938	144.0
200.98001098632812	156.0
201.12525939941406	544.0
201.16448974609375	480.0
201.48353576660156	104.0
202.1313018798828	156.0
202.16680908203125	308.0
202.69351196289062	216.0
203.1031036376953	256.0
203.14395141601562	160.0
203.99337768554688	160.0
204.1071014404297	140.0
204.14405822753906	332.0
204.47975158691406	164.0
205.09780883789062	180.0
205.12062072753906	168.0
205.1588897705078	144.0
205.70962524414062	180.0
206.0225830078125	152.0
206.11093139648438	184.0
207.11895751953125	1144.0
207.5994415283203	156.0
208.12582397460938	812.0
208.150390625	184.0
208.9609375	208.0
209.07315063476562	208.0
209.13294982910156	7244.0
209.30702209472656	148.0
209.37216186523438	204.0
210.13784790039062	2208.0
210.3470916748047	164.0
210.72250366210938	152.0
210.92190551757812	140.0
211.11248779296875	520.0
211.1472930908203	6104.0
211.24839782714844	200.0
211.33544921875	152.0
211.5235595703125	140.0
212.11514282226562	408.0
212.15260314941406	476.0
213.0750274658203	140.0
213.12698364257812	812.0
213.1631317138672	484.0
213.70884704589844	212.0
214.17625427246094	176.0
215.1403350830078	900.0
216.10426330566406	152.0
216.14553833007812	112.0
216.4672088623047	196.0
216.49618530273438	184.0
217.11691284179688	176.0
218.11622619628906	184.0
218.3394775390625	144.0
218.38653564453125	144.0
218.4630126953125	152.0
219.1243133544922	156.0
219.38475036621094	160.0
219.49679565429688	172.0
220.12637329101562	392.0
221.13345336914062	1028.0
222.06370544433594	164.0
222.14027404785156	684.0
222.86819458007812	156.0
223.1029815673828	140.0
223.14830017089844	4848.0
223.34490966796875	212.0
223.47177124023438	148.0
223.90882873535156	140.0
224.03146362304688	184.0
224.0821075439453	200.0
224.1108856201172	140.0
224.15626525878906	19284.0
224.850341796875	228.0
224.900390625	108.0
225.12542724609375	556.0
225.16282653808594	9180.0
225.27020263671875	128.0
226.13516235351562	368.0
226.1667938232422	1160.0
226.69369506835938	132.0
226.89308166503906	204.0
227.14051818847656	308.0
227.17454528808594	268.0
228.1592559814453	184.0
228.3688201904297	180.0
229.1309814453125	104.0
229.15896606445312	396.0
230.11058044433594	172.0
230.53948974609375	200.0
231.13758850097656	172.0
231.56809997558594	180.0
232.1334686279297	148.0
233.1324462890625	272.0
233.9973907470703	176.0
234.0308837890625	168.0
234.1377716064453	1108.0
235.1471405029297	856.0
236.12728881835938	184.0
236.15774536132812	156.0
237.12783813476562	752.0
237.16085815429688	1356.0
237.20199584960938	188.0
238.13645935058594	488.0
238.16656494140625	324.0
238.2176971435547	160.0
238.70330810546875	160.0
239.1419677734375	1112.0
239.1718292236328	604.0
239.805419921875	156.0
240.14898681640625	304.0
240.1829376220703	200.0
240.3790283203125	160.0
240.9904022216797	188.0
241.11671447753906	128.0
241.15838623046875	2832.0
242.16082763671875	232.0
242.19998168945312	152.0
243.17724609375	960.0
243.65634155273438	100.0
244.1931915283203	180.0
244.5037384033203	176.0
245.1251983642578	312.0
245.1670684814453	188.0
245.9779815673828	148.0
246.13934326171875	152.0
246.2902374267578	156.0
246.4995574951172	140.0
247.1460723876953	732.0
248.15646362304688	144.0
249.1114501953125	152.0
249.1642303466797	3560.0
250.16775512695312	1152.0
251.14418029785156	920.0
251.177490234375	256.0
251.25320434570312	188.0
252.150390625	124.0
252.4250030517578	228.0
253.15988159179688	824.0
253.532958984375	244.0
253.9532928466797	124.0
254.12481689453125	160.0
254.1544189453125	308.0
254.71957397460938	200.0
254.98646545410156	152.0
255.1390380859375	324.0
255.1750946044922	5272.0
255.40933227539062	192.0
256.10321044921875	160.0
256.149169921875	264.0
256.1773376464844	2336.0
257.0947265625	148.0
257.14801025390625	340.0
257.1854553222656	132.0
259.1700439453125	140.0
259.7567138671875	140.0
260.15850830078125	264.0
260.5142822265625	180.0
260.57855224609375	164.0
261.1593933105469	140.0
261.85882568359375	252.0
261.9200134277344	248.0
262.3260192871094	216.0
262.8033142089844	148.0
263.1799011230469	1632.0
264.1278381347656	216.0
264.185302734375	1240.0
265.15887451171875	1404.0
265.1956481933594	12296.0
265.27508544921875	116.0
265.6242370605469	104.0
265.87744140625	184.0
266.1660461425781	448.0
266.1997375488281	2744.0
266.4635314941406	120.0
266.8810729980469	140.0
267.065673828125	216.0
267.11553955078125	196.0
267.17510986328125	46264.0
267.4482421875	152.0
267.7674560546875	112.0
268.01385498046875	180.0
268.0677795410156	96.0
268.17840576171875	7928.0
269.18389892578125	1124.0
269.72894287109375	184.0
269.8171081542969	96.0
269.90631103515625	108.0
269.9745178222656	180.0
270.12030029296875	112.0
270.1784973144531	188.0
270.3633117675781	140.0
270.697998046875	172.0
273.1636962890625	156.0
274.1764831542969	188.0
275.170654296875	116.0
278.05712890625	152.0
278.16851806640625	164.0
278.648193359375	236.0
279.17181396484375	252.0
279.2099609375	144.0
279.6890563964844	140.0
280.1842956542969	128.0
280.6310119628906	176.0
280.96868896484375	184.0
281.1537780761719	152.0
281.1914978027344	4828.0
281.70538330078125	112.0
282.1494445800781	120.0
282.19866943359375	12288.0
282.30010986328125	100.0
283.2039489746094	7912.0
284.2094421386719	1688.0
284.74884033203125	140.0
284.88092041015625	164.0
285.2127685546875	136.0
286.1679382324219	268.0
286.22265625	132.0
287.5050354003906	152.0
287.9776916503906	196.0
288.35272216796875	144.0
288.48455810546875	156.0
289.0662841796875	164.0
289.1934509277344	544.0
290.1993408203125	224.0
291.5213928222656	144.0
291.84429931640625	172.0
292.004150390625	232.0
292.1840515136719	516.0
293.01171875	172.0
293.1890563964844	156.0
293.430908203125	188.0
294.15753173828125	144.0
295.171875	292.0
295.17962646484375	328.0
296.06878662109375	148.0
296.17462158203125	136.0
297.2148132324219	100.0
297.7286376953125	156.0
298.2281799316406	144.0
299.2174987792969	252.0
299.3276672363281	184.0
301.9888610839844	136.0
303.1897888183594	160.0
305.0779724121094	184.0
306.2645568847656	168.0
307.2060241699219	6904.0
308.21044921875	1136.0
309.216796875	128.0
310.1892395019531	268.0
312.4219055175781	144.0
313.34429931640625	148.0
315.0306091308594	164.0
322.8573303222656	168.0
322.9861145019531	176.0
323.2093505859375	232.0
323.2651672363281	284.0
323.9346618652344	168.0
324.02288818359375	172.0
324.2046813964844	360.0
324.3180847167969	152.0
324.623046875	192.0
324.82550048828125	124.0
324.8631286621094	256.0
324.9287109375	248.0
324.9827575683594	272.0
325.0252990722656	96.0
325.14581298828125	192.0
325.217529296875	84800.0
325.3123474121094	260.0
325.3759460449219	108.0
325.6136169433594	116.0
325.7770690917969	164.0
325.80853271484375	144.0
325.83465576171875	96.0
325.91864013671875	180.0
326.05517578125	232.0
326.0997009277344	164.0
326.219970703125	15252.0
326.2903137207031	216.0
326.54266357421875	148.0
326.7080383300781	168.0
327.0982360839844	144.0
327.15191650390625	136.0
327.2233581542969	2324.0
327.5869445800781	100.0
328.127197265625	108.0
328.16259765625	132.0
328.2254943847656	620.0
328.3385009765625	132.0
328.47412109375	104.0
329.4947509765625	136.0
330.1433410644531	176.0
330.6534423828125	152.0
336.005859375	148.0
336.7974548339844	128.0
337.9678649902344	176.0
341.7323303222656	176.0
343.22772216796875	228.0
344.229736328125	172.0
344.44873046875	132.0
345.2624206542969	172.0
345.5361328125	180.0
346.16259765625	304.0
347.4032897949219	152.0
347.7446594238281	152.0
349.0002746582031	172.0
350.8804626464844	140.0
353.5698547363281	164.0
354.4836120605469	164.0
355.8733215332031	168.0
357.6721496582031	188.0
358.54217529296875	208.0
362.1427001953125	156.0
362.8740539550781	228.0
365.3996887207031	164.0
372.5487365722656	232.0
380.07354736328125	148.0
380.1511535644531	148.0
381.9152526855469	100.0
381.960693359375	200.0
383.2573547363281	140.0
383.3630676269531	108.0
383.950439453125	148.0
384.0557861328125	144.0
384.46649169921875	128.0
384.54656982421875	140.0
384.5888671875	172.0
384.6839294433594	220.0
384.94366455078125	188.0
384.9822998046875	192.0
385.10711669921875	124.0
385.140380859375	156.0
385.2393493652344	100436.0
385.33221435546875	512.0
385.5946960449219	156.0
385.7015075683594	128.0
385.76409912109375	212.0
385.87921142578125	228.0
385.9335021972656	128.0
385.996826171875	268.0
386.1355895996094	108.0
386.1790771484375	272.0
386.24200439453125	18568.0
386.32049560546875	176.0
386.4273681640625	136.0
386.7044982910156	108.0
386.888671875	136.0
387.0010681152344	164.0
387.2457275390625	2992.0
387.3190002441406	104.0
387.4128723144531	108.0
387.7753601074219	180.0
388.1540832519531	164.0
388.2491149902344	556.0
388.4312438964844	144.0
388.49798583984375	120.0
388.64306640625	148.0
388.6982727050781	200.0
388.85211181640625	164.0
388.94329833984375	108.0
389.2596130371094	136.0
389.4075927734375	152.0
389.7290954589844	156.0
391.24945068359375	116.0
391.77947998046875	164.0
392.148681640625	104.0
399.72637939453125	116.0
473.34661865234375	96.0
699.398193359375	184.0
744.0879516601562	148.0
753.6836547851562	120.0
1255.35400390625	148.0
1274.693359375	220.0
1392.6304931640625	156.0
1641.4620361328125	176.0
1655.8223876953125	164.0
1685.253662109375	184.0
1728.6119384765625	172.0
1764.4859619140625	140.0
1766.1668701171875	156.0
1772.8143310546875	184.0
1810.2847900390625	220.0
1822.321044921875	148.0
1834.7808837890625	244.0
1837.185791015625	172.0
1841.1973876953125	140.0
1847.5396728515625	160.0
1855.332763671875	236.0
1858.39453125	164.0
1858.489013671875	164.0
1873.6810302734375	176.0
1877.8358154296875	156.0
1938.193603515625	168.0
1985.9857177734375	196.0
1986.4381103515625	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079012
PEPMASS=273.130096
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)NCC(O)c1ccc(NS(=O)(=O)C)cc1
INCHI=InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
INCHIAUX=ZBMZVLHSJCTVON-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079012
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079012
SCANS=708
45.56597137451172	164.0
57.366172790527344	168.0
77.7182388305664	172.0
80.24044036865234	172.0
106.063232421875	544.0
106.21009063720703	184.0
107.07099151611328	248.0
116.04863739013672	340.0
116.51787567138672	156.0
117.06023406982422	176.0
118.06438446044922	160.0
119.06459045410156	168.0
119.35795593261719	144.0
127.54109954833984	148.0
128.12391662597656	144.0
131.06480407714844	168.0
132.06752014160156	344.0
133.07595825195312	3512.0
134.08309936523438	1036.0
134.12721252441406	172.0
135.08895874023438	344.0
141.60406494140625	168.0
146.0868377685547	160.0
149.1262969970703	164.0
154.31849670410156	204.0
174.89752197265625	184.0
176.1275634765625	1492.0
185.5953369140625	156.0
198.0673370361328	148.0
200.56529235839844	200.0
202.46705627441406	184.0
210.60679626464844	200.0
213.06979370117188	4580.0
213.40328979492188	144.0
215.0760955810547	508.0
228.88626098632812	188.0
234.9511260986328	176.0
244.2701873779297	148.0
245.5971221923828	152.0
248.43740844726562	188.0
254.92271423339844	148.0
254.9672088623047	236.0
255.11648559570312	13448.0
256.1199035644531	1324.0
256.6925964355469	168.0
257.1133728027344	816.0
258.11346435546875	132.0
273.12548828125	1096.0
274.1325378417969	292.0
275.13909912109375	176.0
434.1480712890625	148.0
1647.8372802734375	144.0
1768.6923828125	196.0
1894.91552734375	232.0
1923.4482421875	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079013
PEPMASS=332.125183
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(E)-1-N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN/C(=C\[N+](=O)[O-])/NCCSCc1csc(CN(C)C)n1
INCHI=InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+
INCHIAUX=SGXXNSQHWDMGGP-IZZDOVSWSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079013
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079013
SCANS=523
55.37877655029297	196.0
60.996063232421875	192.0
80.18341827392578	148.0
100.09796905517578	152.0
110.86488342285156	160.0
112.01836395263672	156.0
112.13636016845703	180.0
113.00849151611328	144.0
113.02688598632812	316.0
131.0645751953125	1196.0
132.0650634765625	200.0
139.03509521484375	272.0
140.03350830078125	140.0
141.04478454589844	296.0
142.41525268554688	212.0
143.9871826171875	160.0
144.97999572753906	216.0
147.06141662597656	176.0
154.05442810058594	636.0
154.74656677246094	144.0
155.06472778320312	2348.0
155.41079711914062	148.0
156.06858825683594	208.0
157.05767822265625	160.0
159.1925048828125	156.0
164.70370483398438	160.0
171.01773071289062	160.0
171.71676635742188	164.0
183.0042266845703	144.0
185.91818237304688	160.0
187.03494262695312	116.0
192.08262634277344	244.0
198.99842834472656	156.0
199.03529357910156	544.0
200.0414276123047	188.0
202.44415283203125	192.0
212.9674530029297	148.0
215.06675720214844	824.0
216.045654296875	216.0
216.07122802734375	348.0
227.06224060058594	160.0
232.09426879882812	1384.0
233.09547424316406	136.0
233.93943786621094	180.0
235.09458923339844	180.0
243.08595275878906	1412.0
244.0914764404297	668.0
245.07615661621094	292.0
249.90150451660156	144.0
249.95184326171875	212.0
258.072509765625	804.0
258.17120361328125	148.0
259.07867431640625	176.0
260.07464599609375	196.0
271.10577392578125	1160.0
271.8723449707031	188.0
272.0889892578125	140.0
283.0474548339844	164.0
283.72760009765625	152.0
284.1098937988281	180.0
286.1277770996094	1572.0
287.12646484375	384.0
288.123046875	116.0
289.12030029296875	180.0
290.8929138183594	200.0
294.29736328125	156.0
298.8766174316406	192.0
301.0644226074219	164.0
303.16192626953125	192.0
308.8857727050781	140.0
314.109619140625	320.0
316.1119384765625	172.0
328.1927490234375	136.0
328.6405334472656	140.0
331.66015625	144.0
331.7396240234375	148.0
331.9197692871094	224.0
332.0003662109375	120.0
332.1207275390625	17808.0
332.5576477050781	100.0
333.1221923828125	1552.0
333.1956787109375	108.0
334.1198425292969	1280.0
335.1172790527344	140.0
335.1962890625	176.0
1484.939697265625	152.0
1721.188232421875	160.0
1863.5118408203125	176.0
1875.1278076171875	220.0
1950.8494873046875	168.0
1986.1710205078125	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079014
PEPMASS=362.156647
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=LEVOFLOXACIN [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc4c(=O)c(cn1c24)C(=O)O
INCHI=InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
INCHIAUX=GSDSWSVVBLHKDQ-JTQLQIEISA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079014
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079014
SCANS=1021
46.04682922363281	140.0
47.54170608520508	248.0
47.67766571044922	168.0
48.33268737792969	164.0
48.397743225097656	188.0
48.86409378051758	164.0
49.50477981567383	188.0
50.21449661254883	160.0
51.87675857543945	140.0
53.821128845214844	160.0
54.061038970947266	184.0
56.27095413208008	140.0
56.89976119995117	180.0
57.135860443115234	188.0
58.252899169921875	160.0
58.4246826171875	196.0
62.45489501953125	180.0
63.82127380371094	172.0
63.9676399230957	152.0
64.39176940917969	148.0
67.48490905761719	164.0
69.05372619628906	204.0
70.90133666992188	140.0
72.54856872558594	160.0
73.31172943115234	188.0
74.5352554321289	144.0
75.2828598022461	160.0
76.08106231689453	164.0
76.11752319335938	172.0
77.10527038574219	180.0
77.50775909423828	168.0
78.25247955322266	204.0
79.40816497802734	152.0
80.12096405029297	144.0
80.23502349853516	180.0
80.32240295410156	144.0
80.92151641845703	176.0
81.29569244384766	236.0
81.65499877929688	172.0
82.21597290039062	184.0
82.45909881591797	180.0
82.75395202636719	216.0
83.9751205444336	184.0
84.23430633544922	220.0
85.47550964355469	228.0
85.77938842773438	172.0
85.86051940917969	156.0
87.37200164794922	140.0
87.73701477050781	180.0
88.32150268554688	160.0
90.5443344116211	172.0
91.8100357055664	144.0
92.09059143066406	156.0
92.2396240234375	184.0
92.34861755371094	152.0
92.81588745117188	164.0
93.39202117919922	188.0
93.75782012939453	236.0
94.3581314086914	168.0
95.4069595336914	168.0
95.43223571777344	164.0
95.7260513305664	188.0
96.3267593383789	160.0
97.59868621826172	172.0
98.0775375366211	200.0
98.32755279541016	144.0
98.8096923828125	232.0
99.73776245117188	172.0
100.20541381835938	172.0
100.4605941772461	140.0
100.58431243896484	140.0
101.5046157836914	144.0
101.98040008544922	140.0
102.03467559814453	160.0
103.11511993408203	152.0
104.17890167236328	144.0
104.45536041259766	156.0
104.88618469238281	160.0
104.99510192871094	156.0
106.43779754638672	152.0
107.05057525634766	180.0
108.32698059082031	176.0
111.04924774169922	172.0
112.64778900146484	172.0
112.89202117919922	176.0
112.94066619873047	240.0
113.01284790039062	200.0
113.24545288085938	164.0
113.2708740234375	204.0
115.40328979492188	244.0
117.22566223144531	220.0
118.44634246826172	172.0
119.8519515991211	204.0
120.9263687133789	200.0
121.06210327148438	176.0
121.81000518798828	140.0
122.61750030517578	180.0
123.3215560913086	216.0
124.15399932861328	168.0
124.3603286743164	152.0
126.39275360107422	192.0
126.99313354492188	152.0
127.04248046875	160.0
127.18385314941406	156.0
127.30733489990234	208.0
127.7253646850586	216.0
129.13055419921875	140.0
130.64804077148438	152.0
131.81539916992188	156.0
133.49566650390625	148.0
136.94459533691406	168.0
137.0511932373047	144.0
137.1350860595703	196.0
137.58761596679688	144.0
137.82351684570312	140.0
138.49461364746094	152.0
139.17030334472656	164.0
139.26121520996094	196.0
139.33001708984375	176.0
139.49452209472656	148.0
141.54710388183594	160.0
143.5397491455078	152.0
143.6194610595703	164.0
144.13511657714844	236.0
144.2880859375	168.0
145.0548095703125	156.0
145.8390350341797	224.0
146.0103302001953	192.0
146.06265258789062	196.0
146.23910522460938	120.0
147.2291717529297	156.0
147.87710571289062	236.0
148.61135864257812	156.0
148.72784423828125	276.0
149.1602020263672	156.0
149.52017211914062	196.0
149.96070861816406	136.0
150.0363311767578	268.0
150.5587158203125	148.0
151.05242919921875	188.0
151.0875701904297	132.0
151.56655883789062	156.0
151.8135223388672	192.0
151.92921447753906	148.0
151.98829650878906	160.0
152.2755126953125	208.0
152.44747924804688	188.0
153.07969665527344	156.0
153.2964630126953	144.0
153.9032745361328	144.0
155.00149536132812	220.0
155.4801025390625	148.0
155.6960906982422	192.0
156.03651428222656	176.0
156.84805297851562	172.0
157.03880310058594	152.0
157.774169921875	156.0
157.90386962890625	152.0
158.0238037109375	360.0
158.05929565429688	140.0
158.67794799804688	192.0
159.04920959472656	248.0
160.02711486816406	164.0
160.0573272705078	144.0
161.21517944335938	168.0
161.56410217285156	172.0
161.65518188476562	148.0
163.06521606445312	176.0
163.9524383544922	140.0
163.97125244140625	192.0
164.0171356201172	152.0
164.20326232910156	164.0
166.00704956054688	140.0
166.044677734375	156.0
167.23680114746094	164.0
168.23178100585938	148.0
169.6390380859375	144.0
170.08779907226562	180.0
171.05909729003906	484.0
171.2812957763672	164.0
171.77134704589844	168.0
172.06884765625	112.0
172.27777099609375	160.0
173.06222534179688	152.0
173.3793182373047	164.0
173.43959045410156	176.0
174.0711212158203	140.0
174.4791259765625	148.0
174.6894989013672	152.0
174.84239196777344	180.0
175.04580688476562	328.0
175.0561065673828	124.0
175.06497192382812	364.0
176.05125427246094	340.0
176.07855224609375	156.0
176.3824005126953	160.0
176.45114135742188	168.0
176.68650817871094	172.0
177.0544891357422	252.0
177.69590759277344	164.0
178.02749633789062	384.0
178.05160522460938	296.0
179.03530883789062	732.0
179.06829833984375	160.0
179.1820831298828	144.0
179.787353515625	172.0
180.04371643066406	448.0
181.27151489257812	240.0
181.7005157470703	152.0
181.80516052246094	176.0
181.99307250976562	148.0
182.05751037597656	224.0
182.36915588378906	156.0
182.91249084472656	168.0
184.3175811767578	224.0
184.5689697265625	252.0
184.88546752929688	140.0
185.04244995117188	156.0
185.07273864746094	152.0
185.15347290039062	152.0
185.5273895263672	156.0
185.70364379882812	184.0
186.05369567871094	196.0
186.298095703125	220.0
187.02940368652344	480.0
187.083251953125	104.0
187.4517059326172	280.0
187.8033905029297	156.0
187.9985809326172	220.0
188.04513549804688	172.0
188.49134826660156	176.0
188.6772003173828	176.0
189.0272979736328	124.0
189.06809997558594	220.0
189.4051055908203	168.0
189.56948852539062	188.0
189.6078643798828	140.0
190.06060791015625	588.0
191.06106567382812	248.0
191.10716247558594	204.0
191.17596435546875	180.0
191.2943115234375	164.0
191.83973693847656	220.0
192.04603576660156	308.0
192.11338806152344	120.0
192.15965270996094	152.0
193.04165649414062	1320.0
193.07672119140625	396.0
194.02976989746094	1208.0
194.05990600585938	472.0
194.3370819091797	204.0
194.7783966064453	112.0
195.02578735351562	148.0
195.0572052001953	288.0
195.08692932128906	160.0
195.17868041992188	148.0
195.643310546875	144.0
196.0778350830078	176.0
196.10848999023438	140.0
196.54632568359375	172.0
197.73397827148438	160.0
198.51278686523438	156.0
198.64739990234375	216.0
199.04840087890625	648.0
199.53607177734375	224.0
200.05690002441406	440.0
200.3819580078125	192.0
200.41294860839844	180.0
201.0171356201172	132.0
201.0616455078125	308.0
201.0836944580078	288.0
201.9712677001953	204.0
202.05960083007812	408.0
203.0335693359375	520.0
203.060791015625	820.0
203.40370178222656	144.0
203.47601318359375	148.0
203.78558349609375	176.0
204.0481719970703	900.0
204.36422729492188	132.0
204.43673706054688	156.0
204.8638153076172	144.0
205.04246520996094	2820.0
205.07711791992188	2828.0
205.1544952392578	144.0
205.18299865722656	144.0
205.33697509765625	288.0
205.5594940185547	160.0
205.5823211669922	160.0
206.00636291503906	448.0
206.05125427246094	724.0
206.0816192626953	956.0
207.03683471679688	856.0
208.25344848632812	160.0
208.9864959716797	248.0
209.0181427001953	304.0
209.05267333984375	192.0
210.53475952148438	136.0
211.08807373046875	200.0
212.27940368652344	168.0
212.7755584716797	160.0
213.06825256347656	212.0
213.100830078125	176.0
213.3856658935547	180.0
214.04507446289062	164.0
214.0712890625	192.0
214.82431030273438	140.0
215.0263214111328	784.0
215.06056213378906	208.0
215.19090270996094	136.0
215.6360321044922	176.0
215.84359741210938	292.0
216.0102996826172	204.0
216.03843688964844	308.0
216.0712127685547	264.0
216.58401489257812	144.0
217.04263305664062	704.0
217.07879638671875	276.0
218.05392456054688	600.0
218.45089721679688	188.0
218.9996337890625	152.0
219.05697631835938	5148.0
219.325439453125	188.0
219.8740234375	144.0
220.02511596679688	236.0
220.06373596191406	1664.0
220.44692993164062	196.0
221.0186004638672	764.0
221.07177734375	9136.0
222.03326416015625	332.0
222.075439453125	1572.0
222.15530395507812	148.0
222.68959045410156	144.0
222.77870178222656	156.0
222.9688720703125	236.0
223.00750732421875	156.0
223.70948791503906	176.0
224.0519561767578	168.0
224.17620849609375	244.0
224.3648681640625	176.0
224.39170837402344	176.0
224.7197723388672	232.0
225.06898498535156	152.0
225.1151580810547	144.0
225.2183074951172	236.0
225.72454833984375	224.0
226.0743408203125	248.0
226.6632843017578	196.0
226.9390411376953	148.0
227.0815887451172	136.0
227.1189727783203	148.0
227.16696166992188	144.0
227.96859741210938	200.0
228.0684356689453	304.0
229.05567932128906	200.0
229.07713317871094	100.0
229.96229553222656	148.0
230.04827880859375	180.0
230.80210876464844	160.0
231.05435180664062	292.0
231.0918731689453	760.0
231.69798278808594	180.0
231.97071838378906	188.0
232.03134155273438	144.0
232.07655334472656	620.0
232.90834045410156	200.0
233.0164031982422	328.0
233.07327270507812	3016.0
233.19915771484375	112.0
234.0238037109375	368.0
234.07958984375	708.0
234.70997619628906	188.0
235.0350341796875	4784.0
235.084228515625	452.0
235.548828125	292.0
235.6423797607422	112.0
235.92816162109375	140.0
236.0379638671875	656.0
236.0853271484375	156.0
236.4634552001953	164.0
237.03903198242188	168.0
237.6677703857422	176.0
237.8703155517578	140.0
238.51229858398438	176.0
238.61990356445312	176.0
238.7890167236328	156.0
239.1059112548828	304.0
240.08848571777344	156.0
240.98660278320312	116.0
241.09765625	1344.0
241.531005859375	164.0
242.05117797851562	104.0
242.09982299804688	652.0
242.1748046875	156.0
243.05841064453125	204.0
243.0955810546875	232.0
243.47430419921875	156.0
243.72903442382812	176.0
244.0729522705078	828.0
245.07183837890625	1500.0
245.1448516845703	228.0
245.31939697265625	196.0
245.88082885742188	152.0
246.0807342529297	180.0
246.17739868164062	152.0
246.34918212890625	188.0
246.56790161132812	144.0
246.76795959472656	144.0
247.03419494628906	136.0
247.08843994140625	3816.0
247.32284545898438	180.0
248.08912658691406	1072.0
248.67567443847656	164.0
249.00218200683594	160.0
249.0465087890625	684.0
249.0957489013672	180.0
250.0207977294922	160.0
250.05174255371094	216.0
251.0494842529297	104.0
252.06375122070312	156.0
252.25070190429688	164.0
253.09751892089844	204.0
253.12408447265625	424.0
253.37411499023438	152.0
254.03350830078125	140.0
254.09445190429688	152.0
254.13121032714844	196.0
254.388916015625	152.0
254.8716583251953	340.0
255.10279846191406	740.0
255.60462951660156	140.0
255.64117431640625	164.0
256.10540771484375	400.0
257.0594787597656	220.0
257.11199951171875	112.0
257.51751708984375	144.0
257.5924072265625	180.0
258.0238037109375	180.0
258.0600280761719	224.0
258.0909729003906	152.0
258.5323791503906	196.0
258.71484375	196.0
259.08404541015625	380.0
259.6055603027344	144.0
259.9616394042969	140.0
260.0834045410156	136.0
260.1927490234375	208.0
260.3500671386719	148.0
260.3771667480469	200.0
260.4565124511719	124.0
260.4945983886719	144.0
260.56207275390625	200.0
260.7871398925781	176.0
260.8723449707031	204.0
261.05865478515625	300.0
261.1042175292969	91232.0
261.22015380859375	96.0
261.31005859375	156.0
261.3558044433594	200.0
261.57391357421875	108.0
261.63385009765625	204.0
261.968505859375	108.0
262.0693054199219	272.0
262.1068420410156	12652.0
262.54742431640625	196.0
262.88934326171875	136.0
263.0653381347656	18632.0
263.1099548339844	1656.0
263.17205810546875	108.0
263.3184814453125	144.0
263.9456787109375	140.0
263.9943542480469	220.0
264.0199279785156	116.0
264.0676574707031	2416.0
264.1131896972656	192.0
264.2082824707031	140.0
264.3280029296875	152.0
264.4984130859375	104.0
265.0604248046875	320.0
265.8001708984375	124.0
266.6385803222656	144.0
267.1061096191406	148.0
267.30035400390625	200.0
267.9222106933594	164.0
268.07861328125	172.0
268.1098937988281	396.0
268.1441650390625	212.0
269.11370849609375	576.0
269.1681213378906	156.0
269.4620666503906	176.0
269.9818115234375	156.0
270.07177734375	300.0
270.1236572265625	1744.0
271.08172607421875	216.0
271.1256408691406	412.0
272.0884094238281	196.0
272.1122131347656	260.0
272.9716796875	160.0
273.0251159667969	184.0
273.10369873046875	1300.0
273.1435241699219	140.0
273.8248596191406	264.0
274.1051940917969	176.0
274.4641418457031	216.0
275.0666809082031	296.0
275.1170654296875	668.0
275.563232421875	140.0
276.059326171875	176.0
276.1175537109375	160.0
277.07781982421875	340.0
277.7680358886719	176.0
278.07659912109375	172.0
278.57464599609375	176.0
279.0864562988281	168.0
281.0916748046875	140.0
281.5423278808594	168.0
282.13128662109375	148.0
283.135498046875	144.0
283.2078857421875	152.0
283.9217529296875	156.0
284.0495910644531	140.0
284.0827331542969	144.0
284.15655517578125	184.0
284.30419921875	204.0
284.5861511230469	148.0
284.73052978515625	256.0
284.98248291015625	188.0
285.10089111328125	348.0
285.5909423828125	152.0
285.6149597167969	140.0
286.0897521972656	280.0
286.4930725097656	188.0
287.08380126953125	404.0
287.1219482421875	212.0
288.0477600097656	136.0
289.0049133300781	156.0
289.0453796386719	116.0
289.12103271484375	492.0
290.0735778808594	252.0
291.10308837890625	192.0
291.1744079589844	188.0
291.7996520996094	216.0
294.00347900390625	160.0
294.8299255371094	232.0
296.0975341796875	332.0
296.14349365234375	764.0
297.052001953125	200.0
297.10443115234375	196.0
297.14068603515625	108.0
297.84490966796875	200.0
298.0647888183594	156.0
298.1112365722656	120.0
298.1510314941406	920.0
299.1137390136719	188.0
299.1730651855469	172.0
299.44427490234375	148.0
300.0748596191406	200.0
300.1187744140625	152.0
300.15325927734375	224.0
300.7613525390625	152.0
300.79931640625	236.0
301.0848083496094	420.0
301.1195983886719	2612.0
302.0052185058594	184.0
302.1233215332031	800.0
303.0845031738281	1784.0
303.11749267578125	172.0
303.16156005859375	180.0
303.4215393066406	140.0
304.08856201171875	184.0
304.91412353515625	156.0
305.08734130859375	172.0
306.2187805175781	188.0
306.3650817871094	152.0
306.438232421875	176.0
308.31988525390625	176.0
308.9080505371094	140.0
310.4018859863281	216.0
311.275634765625	176.0
312.0310363769531	148.0
312.08026123046875	172.0
312.6466064453125	156.0
312.9880676269531	160.0
313.99468994140625	116.0
314.1529846191406	144.0
314.8958740234375	140.0
315.10943603515625	180.0
315.9103088378906	152.0
316.14532470703125	4168.0
316.2945556640625	144.0
316.4705505371094	172.0
316.66070556640625	152.0
317.053955078125	200.0
317.1440124511719	828.0
317.44390869140625	148.0
317.5770263671875	180.0
317.67877197265625	316.0
317.9702453613281	208.0
318.0390930175781	168.0
318.0718688964844	168.0
318.1085510253906	636.0
318.16229248046875	86824.0
318.2756042480469	136.0
318.33526611328125	176.0
318.384521484375	236.0
318.4153747558594	108.0
318.503662109375	140.0
318.5751037597656	168.0
318.6097106933594	144.0
318.7644958496094	100.0
318.8036804199219	112.0
318.86297607421875	160.0
318.9481201171875	224.0
319.07916259765625	116.0
319.164306640625	12468.0
319.2834167480469	152.0
319.32373046875	112.0
319.43731689453125	120.0
319.56353759765625	112.0
319.6082763671875	112.0
319.6728210449219	132.0
319.746337890625	100.0
319.998046875	164.0
320.04840087890625	136.0
320.1233215332031	16836.0
320.1654052734375	1308.0
320.4216613769531	160.0
320.52587890625	116.0
320.71112060546875	136.0
320.9949035644531	168.0
321.05126953125	236.0
321.0863952636719	140.0
321.12677001953125	2156.0
321.1876220703125	300.0
321.2887878417969	188.0
321.39093017578125	184.0
321.7812805175781	144.0
321.9026794433594	176.0
322.11968994140625	284.0
322.29766845703125	104.0
322.7345886230469	132.0
323.0740966796875	112.0
323.135009765625	124.0
324.133544921875	276.0
324.2414855957031	108.0
324.6617431640625	228.0
324.9486999511719	160.0
325.13885498046875	168.0
327.9873962402344	140.0
328.2109069824219	152.0
328.2574462890625	120.0
329.2646179199219	140.0
330.3055725097656	184.0
331.0475158691406	140.0
331.0909729003906	144.0
333.5472412109375	112.0
333.5799560546875	164.0
334.3728942871094	140.0
334.62042236328125	144.0
336.16815185546875	184.0
336.8887939453125	140.0
338.4833984375	180.0
339.94232177734375	140.0
340.1478576660156	204.0
341.2352600097656	152.0
341.4485168457031	184.0
342.7958984375	152.0
343.0870666503906	216.0
343.1482238769531	204.0
343.1903076171875	216.0
344.14068603515625	3076.0
344.39703369140625	148.0
345.05108642578125	156.0
345.0917663574219	144.0
345.1422424316406	828.0
345.76129150390625	144.0
346.10321044921875	188.0
347.1134338378906	220.0
347.7774963378906	164.0
349.9298400878906	140.0
351.29010009765625	184.0
352.1672668457031	148.0
352.4810791015625	160.0
353.2624816894531	168.0
353.6179504394531	164.0
354.01104736328125	208.0
355.18035888671875	148.0
356.7349548339844	148.0
357.7393493652344	148.0
358.23114013671875	140.0
358.3155212402344	244.0
358.43231201171875	156.0
359.2606201171875	196.0
359.4875183105469	96.0
359.83819580078125	100.0
359.8783264160156	132.0
360.14129638671875	216.0
360.2420654296875	136.0
360.35107421875	128.0
360.39178466796875	104.0
360.5721435546875	176.0
360.642578125	112.0
360.7499694824219	136.0
360.857177734375	100.0
360.905029296875	124.0
361.0029602050781	160.0
361.0760498046875	172.0
361.1075134277344	132.0
361.15008544921875	152.0
361.2907409667969	136.0
361.4217529296875	112.0
361.5872497558594	196.0
361.6392822265625	96.0
361.69976806640625	248.0
361.7873840332031	224.0
361.8223571777344	140.0
361.8837585449219	216.0
361.9551696777344	132.0
361.98406982421875	336.0
362.0662841796875	196.0
362.0777587890625	600.0
362.1533508300781	191764.0
362.2445373535156	224.0
362.30389404296875	144.0
362.42291259765625	128.0
362.4695739746094	188.0
362.52947998046875	136.0
362.6130676269531	248.0
362.64129638671875	176.0
362.7146911621094	136.0
362.7762145996094	2564.0
362.8134460449219	172.0
362.8304748535156	268.0
362.8697814941406	172.0
362.9097595214844	252.0
362.94195556640625	240.0
362.96905517578125	240.0
363.0367431640625	128.0
363.07757568359375	140.0
363.0895080566406	164.0
363.155029296875	48572.0
363.2909240722656	216.0
363.3499755859375	224.0
363.4015197753906	244.0
363.66943359375	220.0
363.72271728515625	176.0
363.7896728515625	184.0
363.82098388671875	256.0
363.84564208984375	296.0
363.9010925292969	120.0
363.9281311035156	188.0
363.9703369140625	168.0
364.0087585449219	136.0
364.0571594238281	148.0
364.1133117675781	53048.0
364.1569519042969	4264.0
364.2382507324219	156.0
364.3175048828125	216.0
364.3772888183594	140.0
364.40667724609375	272.0
364.46063232421875	164.0
364.4994812011719	100.0
364.8094787597656	104.0
364.8802795410156	292.0
364.9849548339844	104.0
365.01837158203125	124.0
365.11541748046875	7148.0
365.2559814453125	152.0
365.4043273925781	160.0
365.5089416503906	200.0
365.557861328125	148.0
365.59063720703125	208.0
365.64996337890625	116.0
365.73638916015625	132.0
365.9434814453125	100.0
366.0257873535156	140.0
366.1124572753906	532.0
366.33441162109375	104.0
366.58148193359375	112.0
366.61712646484375	180.0
366.7481689453125	136.0
366.8763732910156	176.0
367.0187072753906	116.0
367.0636901855469	112.0
367.1201171875	144.0
367.2863464355469	188.0
367.406494140625	152.0
367.4809265136719	140.0
367.7340087890625	112.0
367.81365966796875	140.0
368.17401123046875	144.0
371.05047607421875	108.0
376.0302429199219	148.0
377.6239013671875	128.0
381.82183837890625	128.0
402.07635498046875	192.0
512.8626708984375	164.0
589.783935546875	148.0
690.2633056640625	148.0
1381.6427001953125	148.0
1415.1865234375	156.0
1633.479248046875	136.0
1710.444091796875	188.0
1720.8890380859375	172.0
1815.485107421875	224.0
1860.8548583984375	176.0
1865.5025634765625	212.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079015
PEPMASS=294.165253
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Ondansetron aka "9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C
INCHI=InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
INCHIAUX=FELGMEQIXOGIFQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079015
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079015
SCANS=1087
45.16789245605469	220.0
45.786643981933594	180.0
46.27005386352539	188.0
47.691524505615234	152.0
48.78355026245117	180.0
50.2216682434082	148.0
51.29935073852539	212.0
52.29344177246094	184.0
52.78683090209961	160.0
54.652530670166016	184.0
55.730430603027344	144.0
55.76312255859375	168.0
55.77352523803711	144.0
56.80235290527344	248.0
57.05915069580078	236.0
57.123817443847656	148.0
59.21245574951172	164.0
59.675880432128906	192.0
60.329566955566406	192.0
61.17036056518555	144.0
61.30586242675781	184.0
61.45243835449219	168.0
61.9323616027832	144.0
62.0561637878418	172.0
62.458187103271484	188.0
62.645511627197266	168.0
63.4102783203125	140.0
63.66411209106445	248.0
63.792808532714844	144.0
64.27698516845703	156.0
64.61891174316406	184.0
65.74048614501953	140.0
66.17205810546875	240.0
66.33244323730469	236.0
66.54009246826172	220.0
67.39190673828125	188.0
67.45548248291016	184.0
69.18958282470703	168.0
71.25935363769531	164.0
71.46615600585938	164.0
71.61429595947266	180.0
71.7373046875	164.0
72.46908569335938	196.0
72.50447082519531	164.0
72.52500915527344	212.0
72.87459564208984	208.0
72.90348052978516	160.0
73.24375915527344	148.0
73.72318267822266	144.0
74.6196517944336	216.0
74.8209457397461	160.0
75.50059509277344	184.0
75.55960083007812	164.0
75.6149673461914	152.0
76.18544006347656	216.0
76.88191223144531	156.0
76.91682434082031	140.0
78.68991088867188	180.0
79.62843322753906	180.0
81.42155456542969	140.0
83.12210083007812	172.0
84.30393981933594	148.0
85.22013092041016	156.0
85.60824584960938	232.0
86.43708801269531	152.0
86.64816284179688	164.0
87.53227233886719	156.0
89.73202514648438	152.0
90.779541015625	196.0
91.11360168457031	172.0
92.07362365722656	140.0
92.10699462890625	172.0
93.39224243164062	180.0
94.92955780029297	200.0
95.58418273925781	188.0
95.64061737060547	204.0
96.83946228027344	184.0
98.3692398071289	152.0
99.4561996459961	188.0
99.60884094238281	184.0
99.79167175292969	148.0
100.38105773925781	160.0
100.4588394165039	236.0
101.420654296875	156.0
101.76570129394531	180.0
102.24612426757812	240.0
102.59056091308594	216.0
103.05878448486328	144.0
103.41267395019531	164.0
105.18714904785156	140.0
106.97671508789062	144.0
107.14163970947266	136.0
107.43213653564453	156.0
108.51583099365234	164.0
108.58840942382812	168.0
109.50080108642578	248.0
110.40237426757812	164.0
110.5799331665039	188.0
110.86083221435547	140.0
111.67330932617188	140.0
111.9468994140625	212.0
112.49297332763672	228.0
113.09539794921875	144.0
113.11091613769531	132.0
114.38169860839844	140.0
115.0625	220.0
115.48483276367188	180.0
115.88299560546875	152.0
116.36341857910156	160.0
117.5688247680664	152.0
117.6206283569336	256.0
117.96624755859375	192.0
118.19766235351562	156.0
118.83684539794922	160.0
119.17338562011719	148.0
119.72371673583984	144.0
119.74331665039062	164.0
121.67195129394531	140.0
122.06964111328125	156.0
122.23241424560547	204.0
123.77536010742188	164.0
124.3428726196289	140.0
124.55157470703125	144.0
125.6668930053711	156.0
125.84991455078125	148.0
126.17163848876953	196.0
126.49600982666016	176.0
127.17069244384766	152.0
127.37726593017578	164.0
127.57501220703125	160.0
128.0590362548828	332.0
128.08131408691406	184.0
128.19171142578125	224.0
128.85960388183594	208.0
129.06753540039062	172.0
129.2439727783203	160.0
130.06690979003906	160.0
130.4618682861328	144.0
131.00120544433594	192.0
131.13108825683594	184.0
132.0763397216797	204.0
132.22962951660156	164.0
132.45172119140625	156.0
135.1004180908203	208.0
135.5690155029297	360.0
136.16522216796875	348.0
137.0235595703125	148.0
138.6873779296875	140.0
138.87965393066406	192.0
139.05796813964844	168.0
140.05252075195312	176.0
140.15382385253906	148.0
141.8530731201172	188.0
142.0734405517578	172.0
142.99794006347656	168.0
143.01698303222656	144.0
143.08413696289062	972.0
143.41712951660156	192.0
143.49102783203125	160.0
143.9586944580078	204.0
144.08203125	756.0
144.1737060546875	192.0
145.0808563232422	148.0
146.06436157226562	164.0
146.5420684814453	172.0
147.51222229003906	204.0
147.79518127441406	176.0
147.86293029785156	156.0
148.56076049804688	144.0
148.93458557128906	184.0
151.08949279785156	164.0
152.0254669189453	184.0
152.06361389160156	148.0
152.2464141845703	140.0
152.9864959716797	140.0
153.07180786132812	296.0
153.42752075195312	176.0
154.0657196044922	692.0
154.536376953125	236.0
155.07388305664062	600.0
155.32913208007812	168.0
155.5400390625	224.0
155.7834014892578	148.0
155.90017700195312	188.0
156.07962036132812	496.0
156.62509155273438	184.0
157.0478973388672	176.0
157.07339477539062	160.0
158.06741333007812	168.0
158.09471130371094	144.0
160.1357879638672	160.0
160.79380798339844	176.0
160.8140106201172	140.0
161.36216735839844	184.0
161.42031860351562	216.0
162.1265869140625	344.0
163.36309814453125	168.0
163.6048583984375	176.0
163.82131958007812	208.0
163.99154663085938	188.0
165.0540313720703	176.0
165.07704162597656	144.0
165.5299835205078	224.0
166.2605743408203	152.0
166.44395446777344	148.0
166.81793212890625	180.0
166.95419311523438	160.0
167.07394409179688	1788.0
167.40969848632812	148.0
167.9715576171875	180.0
168.0811309814453	1556.0
168.11087036132812	220.0
168.90921020507812	140.0
169.0892791748047	4828.0
169.42953491210938	140.0
169.4606170654297	164.0
169.62648010253906	188.0
169.74574279785156	196.0
169.76390075683594	172.0
169.9324951171875	164.0
170.02040100097656	196.0
170.04759216308594	216.0
170.0974884033203	61548.0
170.1928253173828	128.0
170.32716369628906	128.0
171.0019989013672	184.0
171.06838989257812	2432.0
171.09971618652344	6796.0
171.53016662597656	216.0
172.0715789794922	768.0
172.1057586669922	384.0
172.13829040527344	228.0
172.51055908203125	108.0
172.6450653076172	108.0
173.10862731933594	180.0
174.324462890625	152.0
174.73463439941406	140.0
174.77838134765625	148.0
175.99610900878906	168.0
176.24595642089844	168.0
176.44891357421875	148.0
177.55972290039062	208.0
179.32907104492188	140.0
179.53639221191406	252.0
181.0844268798828	280.0
181.27999877929688	192.0
182.0607147216797	144.0
182.09693908691406	4572.0
182.3880157470703	108.0
182.92056274414062	124.0
183.10174560546875	1504.0
183.29344177246094	196.0
183.51907348632812	152.0
183.71055603027344	160.0
183.8437957763672	116.0
183.95700073242188	148.0
184.1129913330078	43976.0
184.22242736816406	140.0
184.34654235839844	188.0
184.69760131835938	188.0
185.1158905029297	5416.0
185.14865112304688	140.0
185.80445861816406	164.0
186.12210083007812	440.0
186.22520446777344	108.0
186.40994262695312	180.0
186.5654754638672	248.0
186.8251953125	176.0
187.53663635253906	148.0
190.3502960205078	152.0
193.40087890625	272.0
193.92713928222656	152.0
194.1004180908203	220.0
195.09852600097656	184.0
196.75611877441406	164.0
197.08438110351562	248.0
197.82122802734375	224.0
198.0897979736328	180.0
201.5053253173828	144.0
201.74554443359375	188.0
202.5860137939453	196.0
203.1671600341797	168.0
205.0438232421875	164.0
206.42279052734375	184.0
208.1304473876953	176.0
209.025146484375	168.0
209.15103149414062	164.0
209.17117309570312	212.0
209.597412109375	144.0
209.7818603515625	184.0
210.1250457763672	148.0
211.992919921875	204.0
212.10760498046875	14000.0
213.1114959716797	1780.0
214.11282348632812	240.0
215.2246551513672	148.0
216.05177307128906	160.0
216.7280731201172	148.0
218.39553833007812	140.0
219.48516845703125	176.0
220.04576110839844	144.0
220.34109497070312	152.0
221.78814697265625	172.0
222.47769165039062	184.0
225.0486297607422	148.0
226.45364379882812	128.0
229.45907592773438	156.0
229.65811157226562	148.0
230.53060913085938	180.0
231.0657958984375	140.0
232.31393432617188	156.0
233.28872680664062	176.0
233.92755126953125	144.0
234.1498260498047	140.0
235.63839721679688	184.0
237.12249755859375	160.0
240.373046875	216.0
248.24647521972656	236.0
250.08433532714844	140.0
250.40232849121094	176.0
250.45587158203125	144.0
251.08306884765625	192.0
251.1903076171875	144.0
253.0706787109375	180.0
255.0565948486328	164.0
256.07794189453125	164.0
256.3519287109375	160.0
257.5738525390625	184.0
257.9508972167969	176.0
258.184326171875	168.0
258.98443603515625	172.0
259.80181884765625	148.0
260.498046875	140.0
260.76513671875	156.0
260.9419250488281	176.0
261.2622985839844	124.0
261.32464599609375	144.0
261.98785400390625	196.0
262.34234619140625	184.0
262.542236328125	148.0
263.01007080078125	148.0
264.82183837890625	116.0
266.0172119140625	152.0
266.17303466796875	152.0
266.82611083984375	240.0
270.5419616699219	192.0
271.9704284667969	144.0
272.8219299316406	160.0
273.1376037597656	140.0
273.5423278808594	176.0
273.7991638183594	144.0
276.15753173828125	212.0
276.357421875	168.0
277.0742492675781	120.0
277.15869140625	296.0
278.2664794921875	140.0
279.4230651855469	212.0
280.9488830566406	156.0
284.2176208496094	164.0
285.9078674316406	152.0
286.2142028808594	188.0
288.61663818359375	140.0
289.0394287109375	212.0
289.3474426269531	208.0
289.8061828613281	188.0
291.0834045410156	168.0
292.2084655761719	272.0
292.2955017089844	164.0
292.4375915527344	120.0
292.4864501953125	132.0
292.5400390625	100.0
292.6155090332031	108.0
292.8574523925781	204.0
292.9156799316406	140.0
293.0125732421875	188.0
293.09381103515625	120.0
293.1259765625	256.0
293.1766357421875	156.0
293.2068176269531	164.0
293.2463684082031	144.0
293.32342529296875	112.0
293.53662109375	200.0
293.6854553222656	184.0
293.7209167480469	200.0
293.77410888671875	112.0
293.804931640625	300.0
293.86328125	152.0
293.9098815917969	176.0
293.93572998046875	448.0
293.99200439453125	140.0
294.0478515625	260.0
294.07879638671875	220.0
294.11724853515625	244.0
294.16278076171875	158784.0
294.35162353515625	132.0
294.3908386230469	304.0
294.45556640625	152.0
294.56744384765625	240.0
294.6827087402344	304.0
294.7235107421875	3208.0
294.760986328125	236.0
294.8092956542969	144.0
294.98858642578125	164.0
295.0746154785156	316.0
295.1191101074219	220.0
295.1646423339844	49684.0
295.2972717285156	148.0
295.3841247558594	108.0
295.417724609375	124.0
295.4732360839844	112.0
295.5836181640625	104.0
295.63623046875	228.0
295.7276306152344	156.0
295.87469482421875	100.0
295.9490661621094	116.0
296.1659851074219	3576.0
296.4969177246094	120.0
296.5863037109375	208.0
296.6365966796875	136.0
296.67767333984375	188.0
296.7620544433594	100.0
296.7940979003906	164.0
296.82220458984375	100.0
296.8509216308594	144.0
296.8806457519531	184.0
296.94390869140625	168.0
296.9914855957031	152.0
297.08233642578125	244.0
297.1370849609375	140.0
297.171142578125	332.0
297.2291564941406	280.0
297.27105712890625	352.0
297.3202819824219	116.0
297.55078125	208.0
297.74456787109375	128.0
297.7897644042969	144.0
297.96661376953125	148.0
298.11895751953125	152.0
298.15142822265625	96.0
323.1580505371094	168.0
343.0068054199219	160.0
422.8848571777344	140.0
1358.7852783203125	144.0
1368.8255615234375	176.0
1434.376953125	184.0
1475.9205322265625	176.0
1567.2806396484375	160.0
1582.72265625	208.0
1588.5794677734375	248.0
1637.788330078125	212.0
1661.35986328125	160.0
1662.6256103515625	192.0
1707.436767578125	168.0
1746.042724609375	232.0
1747.5150146484375	148.0
1748.18896484375	292.0
1761.0362548828125	268.0
1768.0255126953125	144.0
1775.3389892578125	168.0
1779.349853515625	204.0
1796.8299560546875	140.0
1810.320068359375	164.0
1816.659912109375	156.0
1827.296142578125	140.0
1860.9622802734375	144.0
1884.6483154296875	216.0
1887.3624267578125	156.0
1904.5736083984375	164.0
1911.60693359375	148.0
1915.6119384765625	148.0
1927.3199462890625	156.0
1978.402099609375	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079016
PEPMASS=370.186554
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Amisulpride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)S(=O)(=O)CC
INCHI=InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
INCHIAUX=NTJOBXMMWNYJFB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079016
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079016
SCANS=1043
44.9354133605957	160.0
45.18792724609375	148.0
45.96051025390625	188.0
46.4190673828125	172.0
46.4556884765625	220.0
46.813148498535156	168.0
47.41972732543945	140.0
47.999874114990234	172.0
48.26637268066406	176.0
48.303714752197266	324.0
48.648765563964844	168.0
49.31599426269531	172.0
50.110267639160156	176.0
50.26113510131836	148.0
50.31618118286133	216.0
50.52676010131836	204.0
50.99186325073242	156.0
51.18960952758789	148.0
51.62771224975586	152.0
52.290523529052734	148.0
53.46571350097656	148.0
53.49482345581055	148.0
53.52394485473633	200.0
55.42325210571289	172.0
56.31136703491211	180.0
56.84132385253906	164.0
57.018524169921875	152.0
57.083168029785156	160.0
57.501976013183594	172.0
58.41109085083008	152.0
58.63795852661133	216.0
58.97373580932617	152.0
59.28288650512695	216.0
59.30281066894531	164.0
59.36106491088867	140.0
60.196651458740234	140.0
60.62515640258789	148.0
60.94733428955078	148.0
60.958797454833984	148.0
63.08416748046875	152.0
63.651363372802734	148.0
63.98048400878906	156.0
64.56768035888672	164.0
65.01304626464844	168.0
65.06120300292969	144.0
65.31188201904297	240.0
65.46477508544922	188.0
65.49376678466797	152.0
65.53404235839844	172.0
65.72914123535156	176.0
66.48323059082031	172.0
66.4962158203125	160.0
66.75602722167969	108.0
66.834228515625	148.0
66.87979888916016	196.0
67.83865356445312	276.0
67.94032287597656	140.0
68.26224517822266	140.0
68.38069915771484	188.0
68.87533569335938	248.0
69.02738189697266	176.0
70.09973907470703	212.0
70.28316497802734	212.0
70.4150390625	148.0
70.56375885009766	156.0
70.75281524658203	172.0
70.93373107910156	160.0
71.3315658569336	168.0
71.63565826416016	180.0
71.79627227783203	204.0
72.55547332763672	188.0
72.8847427368164	156.0
73.04601287841797	144.0
73.3527603149414	176.0
73.37662506103516	144.0
73.59159851074219	200.0
73.60697174072266	156.0
74.50788879394531	260.0
74.85015869140625	156.0
75.80021667480469	196.0
75.909423828125	140.0
76.21665954589844	180.0
77.20504760742188	160.0
77.64637756347656	156.0
77.7393569946289	164.0
79.83808898925781	176.0
80.04273223876953	160.0
80.76373291015625	160.0
81.40533447265625	344.0
81.6623306274414	216.0
83.5337142944336	136.0
84.0810775756836	156.0
84.28926086425781	160.0
84.759521484375	148.0
84.98138427734375	144.0
85.20353698730469	168.0
85.32850646972656	216.0
85.43333435058594	184.0
85.68002319335938	224.0
85.73529815673828	144.0
85.87541961669922	140.0
86.20403289794922	144.0
86.89468383789062	164.0
86.92251586914062	180.0
87.49311065673828	308.0
87.90316009521484	144.0
88.480712890625	196.0
88.5968246459961	148.0
90.15477752685547	200.0
90.33818054199219	216.0
90.63920593261719	148.0
91.1876449584961	140.0
91.28269958496094	220.0
91.61006164550781	160.0
92.24742889404297	160.0
92.3219985961914	148.0
93.80616760253906	180.0
93.84857940673828	144.0
93.91029357910156	164.0
94.52656555175781	144.0
94.92948913574219	256.0
95.12350463867188	160.0
95.1798095703125	192.0
95.87989807128906	144.0
95.93859100341797	144.0
96.04469299316406	380.0
96.52627563476562	200.0
96.66320037841797	172.0
97.59688568115234	168.0
98.09965515136719	288.0
98.66351318359375	176.0
99.4221420288086	196.0
99.74588012695312	156.0
100.00843811035156	144.0
100.18964385986328	192.0
100.2940902709961	164.0
100.52461242675781	144.0
100.60244750976562	144.0
100.78219604492188	228.0
101.2042236328125	180.0
101.40254211425781	144.0
101.58300018310547	224.0
101.65924835205078	148.0
102.03284454345703	144.0
102.25611877441406	200.0
102.3789291381836	212.0
102.46150970458984	152.0
102.77603149414062	164.0
103.16986846923828	140.0
103.2992935180664	208.0
103.33165740966797	156.0
104.11013793945312	132.0
105.20748901367188	168.0
105.71642303466797	164.0
106.12814331054688	152.0
106.34764862060547	160.0
106.49958801269531	144.0
107.97035217285156	112.0
108.04148864746094	272.0
108.60699462890625	200.0
109.05306243896484	220.0
109.1147232055664	144.0
109.36746978759766	144.0
109.46324157714844	148.0
109.54029846191406	148.0
110.00531768798828	176.0
110.09827423095703	364.0
110.86075592041016	148.0
111.84608459472656	184.0
111.9426040649414	188.0
112.03317260742188	196.0
112.11231994628906	14812.0
112.27811431884766	136.0
112.65049743652344	208.0
112.91759490966797	144.0
113.1176986694336	1284.0
113.32826232910156	188.0
113.89681243896484	160.0
113.9339828491211	120.0
114.18799591064453	172.0
114.37948608398438	144.0
114.47570037841797	168.0
114.66702270507812	144.0
115.4761962890625	160.0
115.61953735351562	172.0
116.03937530517578	208.0
116.26030731201172	180.0
116.68991088867188	240.0
116.74365997314453	192.0
117.31854248046875	204.0
118.25817108154297	144.0
118.32311248779297	148.0
118.3428955078125	124.0
118.6307373046875	144.0
118.7760238647461	164.0
119.07989501953125	204.0
119.85433197021484	160.0
120.04108428955078	184.0
121.04876708984375	152.0
121.41952514648438	220.0
121.78166198730469	164.0
122.02777862548828	148.0
122.04756164550781	284.0
123.14501190185547	196.0
123.16488647460938	140.0
123.23779296875	172.0
123.35271453857422	168.0
124.03982543945312	172.0
124.10542297363281	176.0
125.0495376586914	372.0
125.481689453125	192.0
125.61772155761719	160.0
125.76052856445312	188.0
125.78507995605469	140.0
125.96748352050781	164.0
126.12683868408203	188.0
127.08515167236328	160.0
127.11898803710938	140.0
127.2603988647461	156.0
127.3839111328125	140.0
128.01451110839844	200.0
128.13211059570312	184.0
129.1387939453125	1256.0
129.63787841796875	180.0
129.7806854248047	148.0
129.87820434570312	152.0
130.12327575683594	152.0
130.1394500732422	148.0
130.31228637695312	128.0
130.77796936035156	196.0
131.24725341796875	144.0
131.3977813720703	308.0
131.52557373046875	168.0
131.8047332763672	172.0
132.01449584960938	140.0
132.60743713378906	168.0
134.37579345703125	176.0
134.52117919921875	164.0
134.5748748779297	196.0
135.70567321777344	168.0
135.94459533691406	140.0
135.98171997070312	284.0
136.05599975585938	152.0
136.40444946289062	172.0
136.58790588378906	192.0
136.9768829345703	188.0
137.24722290039062	212.0
137.30319213867188	196.0
137.8377685546875	188.0
137.91488647460938	180.0
138.00094604492188	340.0
138.01824951171875	1072.0
138.4576873779297	168.0
139.9605712890625	148.0
140.01947021484375	360.0
140.1796417236328	140.0
140.48143005371094	140.0
140.52389526367188	172.0
140.82266235351562	136.0
140.96780395507812	152.0
141.02215576171875	192.0
141.49761962890625	196.0
141.63023376464844	168.0
141.9283447265625	172.0
142.01052856445312	124.0
144.30746459960938	240.0
144.86920166015625	160.0
145.1167755126953	156.0
145.31143188476562	148.0
145.65985107421875	124.0
145.87013244628906	120.0
146.23614501953125	200.0
146.34927368164062	152.0
146.96389770507812	188.0
146.98802185058594	144.0
147.03077697753906	1028.0
148.04129028320312	156.0
148.37635803222656	240.0
148.77664184570312	144.0
148.966064453125	208.0
149.0471649169922	2080.0
149.22853088378906	204.0
149.65673828125	156.0
149.7200469970703	220.0
150.02706909179688	156.0
150.05389404296875	520.0
150.65179443359375	144.0
151.0355682373047	140.0
151.1138458251953	156.0
151.38214111328125	164.0
151.93948364257812	140.0
151.9959259033203	148.0
152.01654052734375	216.0
152.3199920654297	148.0
153.0357208251953	160.0
153.62464904785156	160.0
154.04429626464844	172.0
155.11831665039062	1884.0
155.29678344726562	172.0
155.57469177246094	160.0
156.12281799316406	324.0
156.4198760986328	152.0
156.447265625	172.0
156.57176208496094	148.0
156.95738220214844	156.0
157.689453125	188.0
158.4501495361328	152.0
158.49273681640625	156.0
158.7634735107422	188.0
158.8738250732422	152.0
160.0475311279297	172.0
160.49855041503906	192.0
160.56411743164062	164.0
160.68519592285156	228.0
160.7886505126953	200.0
161.07395935058594	160.0
161.28115844726562	160.0
162.0605926513672	152.0
162.56520080566406	156.0
162.73272705078125	204.0
162.85716247558594	160.0
163.0286407470703	184.0
163.0731201171875	140.0
163.5360107421875	160.0
164.03211975097656	264.0
164.14488220214844	152.0
165.12551879882812	156.0
165.8731689453125	172.0
166.8203887939453	152.0
166.997802734375	148.0
167.6517333984375	148.0
168.01199340820312	1428.0
168.38699340820312	168.0
169.19374084472656	172.0
170.0049591064453	140.0
171.55780029296875	160.0
172.9631805419922	160.0
174.72662353515625	164.0
175.1636199951172	196.0
176.5334014892578	140.0
176.7847137451172	152.0
177.66436767578125	184.0
177.80764770507812	148.0
177.99818420410156	652.0
178.51429748535156	196.0
178.9962615966797	164.0
180.01327514648438	148.0
180.78981018066406	156.0
180.93167114257812	148.0
181.39511108398438	148.0
181.8188934326172	164.0
182.43397521972656	176.0
182.64910888671875	220.0
182.67062377929688	212.0
182.7809295654297	172.0
182.85586547851562	128.0
183.0743408203125	152.0
183.3922576904297	144.0
183.43972778320312	104.0
184.39356994628906	160.0
186.25767517089844	172.0
186.5674591064453	176.0
186.69525146484375	148.0
186.9945068359375	152.0
187.5828399658203	144.0
187.75733947753906	144.0
188.05471801757812	188.0
188.13934326171875	140.0
189.16445922851562	160.0
189.5067901611328	176.0
189.64654541015625	236.0
189.8028106689453	140.0
189.96188354492188	204.0
189.98931884765625	152.0
190.91220092773438	224.0
191.00453186035156	140.0
191.26986694335938	148.0
191.7628936767578	184.0
192.18479919433594	192.0
192.82269287109375	168.0
193.63331604003906	168.0
194.0894317626953	176.0
194.83993530273438	252.0
195.0623779296875	196.0
195.71881103515625	176.0
195.947998046875	232.0
196.00726318359375	38548.0
196.21754455566406	124.0
196.28277587890625	112.0
196.30874633789062	208.0
196.42433166503906	128.0
196.46409606933594	120.0
196.50306701660156	148.0
197.00909423828125	3740.0
197.07611083984375	116.0
197.13026428222656	168.0
197.20993041992188	284.0
197.35946655273438	160.0
197.45175170898438	164.0
197.96900939941406	144.0
198.00384521484375	2288.0
198.38377380371094	152.0
198.95082092285156	156.0
199.02325439453125	252.0
199.11399841308594	152.0
199.3524627685547	160.0
199.66552734375	132.0
200.19076538085938	220.0
200.3442840576172	116.0
200.892333984375	152.0
200.95745849609375	192.0
201.1295928955078	148.0
202.3904571533203	148.0
202.74171447753906	164.0
202.77288818359375	184.0
202.9032745361328	264.0
203.60414123535156	160.0
204.00192260742188	152.0
204.09005737304688	168.0
204.35171508789062	140.0
204.9379119873047	104.0
205.0151824951172	176.0
206.1395263671875	180.0
206.41966247558594	184.0
206.8802947998047	228.0
207.46755981445312	140.0
207.87771606445312	184.0
208.31985473632812	148.0
209.1669921875	120.0
209.19692993164062	180.0
209.3495330810547	196.0
210.68931579589844	156.0
211.54095458984375	140.0
212.5458526611328	120.0
213.1244354248047	176.0
213.91659545898438	328.0
213.947509765625	96.0
214.0172576904297	14872.0
214.18768310546875	168.0
214.31063842773438	104.0
214.38150024414062	216.0
214.56915283203125	208.0
215.02294921875	1252.0
215.1369171142578	160.0
216.01470947265625	908.0
217.0386199951172	152.0
217.4259796142578	164.0
217.5902099609375	144.0
218.5386505126953	104.0
219.1018524169922	188.0
220.61874389648438	148.0
221.11270141601562	152.0
221.2991943359375	140.0
222.1260223388672	144.0
223.45095825195312	192.0
223.86170959472656	144.0
224.01658630371094	180.0
224.50241088867188	152.0
225.3650665283203	164.0
225.66993713378906	144.0
226.00791931152344	148.0
227.14634704589844	152.0
227.57550048828125	164.0
227.9912567138672	108.0
228.01336669921875	188.0
228.0982208251953	172.0
228.6537628173828	188.0
229.5282745361328	156.0
229.60667419433594	156.0
230.10455322265625	172.0
230.42771911621094	148.0
230.91195678710938	184.0
231.25021362304688	140.0
231.552978515625	176.0
231.99107360839844	204.0
232.1378631591797	152.0
232.2349090576172	160.0
232.38052368164062	248.0
232.72044372558594	156.0
233.3189697265625	200.0
233.8695526123047	144.0
234.36795043945312	188.0
234.625	144.0
234.65853881835938	220.0
235.34690856933594	136.0
236.5342559814453	156.0
236.94459533691406	160.0
237.11135864257812	124.0
238.65719604492188	184.0
239.07919311523438	108.0
239.52505493164062	156.0
239.65443420410156	244.0
240.00889587402344	168.0
240.5150909423828	152.0
240.792724609375	144.0
241.19129943847656	140.0
241.2861328125	132.0
241.33712768554688	116.0
241.50457763671875	120.0
241.53761291503906	156.0
241.6005096435547	108.0
241.6953887939453	108.0
241.76206970214844	124.0
241.8727569580078	336.0
241.900390625	192.0
241.94493103027344	280.0
241.98597717285156	360.0
242.01821899414062	432.0
242.0501708984375	215240.0
242.12646484375	216.0
242.32666015625	104.0
242.34518432617188	328.0
242.39747619628906	276.0
242.4199676513672	156.0
242.47259521484375	160.0
242.5270233154297	280.0
242.55838012695312	1932.0
242.58888244628906	228.0
242.66363525390625	408.0
242.817626953125	104.0
242.89431762695312	136.0
242.94097900390625	100.0
243.0519256591797	28712.0
243.1339569091797	168.0
243.23971557617188	124.0
243.30543518066406	160.0
243.3806915283203	156.0
243.48092651367188	148.0
243.50958251953125	204.0
243.64584350585938	176.0
243.849609375	108.0
244.04678344726562	10708.0
244.10020446777344	116.0
244.1483917236328	176.0
244.33697509765625	128.0
244.38580322265625	220.0
244.4117431640625	120.0
244.52325439453125	200.0
244.5768280029297	164.0
244.6629638671875	232.0
244.754150390625	272.0
244.83328247070312	216.0
244.8427734375	160.0
244.94906616210938	160.0
244.9902801513672	288.0
245.05029296875	972.0
245.220458984375	128.0
245.52581787109375	112.0
245.8184356689453	124.0
246.0640411376953	164.0
246.1104278564453	144.0
246.14601135253906	172.0
246.79153442382812	128.0
246.93016052246094	108.0
248.45077514648438	164.0
248.4932861328125	156.0
248.5788116455078	144.0
249.66258239746094	144.0
251.0198211669922	168.0
252.97711181640625	128.0
253.4385528564453	160.0
254.11448669433594	100.0
254.9928436279297	172.0
255.2217254638672	144.0
256.09893798828125	160.0
256.1351013183594	192.0
256.3648681640625	132.0
256.4027404785156	168.0
257.9642028808594	128.0
258.1745300292969	144.0
258.4080505371094	148.0
259.0706481933594	388.0
260.080810546875	156.0
261.0945129394531	116.0
262.6313781738281	116.0
262.7194519042969	168.0
263.2843017578125	164.0
265.2936096191406	160.0
266.0364990234375	144.0
266.1014099121094	204.0
267.2942810058594	176.0
267.68817138671875	144.0
268.3789367675781	220.0
268.9200744628906	160.0
268.962890625	220.0
271.47882080078125	164.0
271.888916015625	140.0
272.3879699707031	164.0
273.91424560546875	164.0
275.1557312011719	336.0
275.2410888671875	160.0
275.68597412109375	176.0
276.6252746582031	160.0
276.7510986328125	148.0
277.1021728515625	140.0
278.17333984375	176.0
278.8741760253906	152.0
279.10357666015625	184.0
280.58184814453125	180.0
281.6496887207031	176.0
282.2885437011719	152.0
282.33148193359375	232.0
282.38165283203125	180.0
282.7061767578125	156.0
282.9237365722656	164.0
283.2418518066406	148.0
284.4053649902344	188.0
286.8069152832031	172.0
288.0916442871094	176.0
288.46429443359375	152.0
288.9039001464844	148.0
289.1963195800781	200.0
291.00592041015625	136.0
291.1103820800781	200.0
292.1637878417969	228.0
292.9333801269531	160.0
294.0008239746094	160.0
294.1507263183594	164.0
295.3124694824219	160.0
296.606201171875	104.0
296.6684265136719	160.0
299.4861145019531	152.0
299.58599853515625	164.0
300.64453125	176.0
301.0518798828125	244.0
301.8190002441406	176.0
304.3761901855469	180.0
304.8486022949219	140.0
304.8902893066406	144.0
304.9737243652344	148.0
305.9825134277344	196.0
306.2541198730469	204.0
306.42132568359375	156.0
307.42205810546875	180.0
310.8759765625	220.0
312.6893615722656	196.0
313.1168212890625	308.0
313.545166015625	140.0
313.7750244140625	152.0
314.03741455078125	156.0
314.2950744628906	108.0
315.14013671875	168.0
317.6678771972656	220.0
317.7672119140625	176.0
317.94818115234375	176.0
320.05615234375	168.0
320.4123229980469	144.0
322.1498107910156	104.0
323.2938232421875	144.0
323.4146423339844	136.0
324.1374206542969	232.0
324.4010314941406	144.0
324.49432373046875	124.0
324.902587890625	160.0
325.1223449707031	164.0
325.3260498046875	140.0
326.03363037109375	152.0
327.2314453125	184.0
327.8365783691406	160.0
328.1862487792969	184.0
328.48486328125	144.0
330.49786376953125	176.0
330.8018798828125	220.0
330.8561706542969	148.0
331.2866516113281	152.0
331.377685546875	152.0
331.6907653808594	132.0
332.8175964355469	140.0
332.8575439453125	140.0
333.017333984375	144.0
334.992431640625	172.0
335.24383544921875	148.0
335.38232421875	144.0
335.4151306152344	148.0
335.5062561035156	144.0
335.9913024902344	148.0
337.00469970703125	124.0
337.49969482421875	208.0
337.7430419921875	132.0
338.103271484375	160.0
339.9759521484375	172.0
341.0667419433594	192.0
341.7213134765625	224.0
343.8548889160156	152.0
344.51953125	160.0
345.9210510253906	144.0
346.7395935058594	180.0
347.1807861328125	152.0
347.3291320800781	140.0
348.3424987792969	232.0
348.48736572265625	184.0
349.1601867675781	144.0
349.9267272949219	176.0
350.18365478515625	164.0
351.4996337890625	216.0
352.05584716796875	156.0
352.17535400390625	264.0
352.7433166503906	196.0
353.4389343261719	144.0
354.1164855957031	176.0
354.7197570800781	176.0
355.8076477050781	276.0
358.0148010253906	180.0
358.31988525390625	308.0
358.93426513671875	140.0
359.26239013671875	252.0
359.55670166015625	148.0
361.2872619628906	152.0
361.4158935546875	152.0
361.8890075683594	224.0
362.15191650390625	304.0
362.4665222167969	128.0
362.98260498046875	160.0
363.5378723144531	140.0
363.79595947265625	196.0
363.9676513671875	152.0
364.47198486328125	264.0
365.0829772949219	164.0
365.1334228515625	200.0
365.47381591796875	116.0
365.548095703125	144.0
365.5881652832031	128.0
365.6859436035156	108.0
366.5606994628906	96.0
366.7185974121094	124.0
366.7799072265625	188.0
367.0182189941406	148.0
367.26947021484375	96.0
367.39599609375	148.0
367.69915771484375	132.0
367.7645263671875	124.0
367.8659973144531	192.0
367.97857666015625	128.0
368.0447998046875	148.0
368.1634521484375	320.0
368.2611999511719	108.0
368.3433837890625	112.0
368.4428405761719	172.0
368.50067138671875	180.0
368.60064697265625	152.0
368.6560363769531	404.0
368.74005126953125	252.0
368.77288818359375	152.0
368.87603759765625	280.0
368.9563903808594	208.0
368.99603271484375	192.0
369.055908203125	168.0
369.1153259277344	308.0
369.1664733886719	160.0
369.18206787109375	292.0
369.2469177246094	188.0
369.32855224609375	356.0
369.36962890625	284.0
369.5076904296875	444.0
369.5812683105469	432.0
369.6138000488281	256.0
369.66790771484375	260.0
369.6939392089844	356.0
369.7329406738281	356.0
369.8011474609375	628.0
369.8576965332031	312.0
369.8855895996094	484.0
369.9783630371094	708.0
370.0631408691406	596.0
370.104248046875	508.0
370.18243408203125	225236.0
370.3211364746094	508.0
370.3858642578125	112.0
370.4418640136719	196.0
370.46697998046875	288.0
370.535888671875	616.0
370.6414794921875	548.0
370.7058410644531	196.0
370.7644958496094	488.0
370.8134765625	9468.0
370.8659362792969	392.0
370.9078674316406	112.0
370.9505920410156	236.0
371.05755615234375	208.0
371.1127014160156	468.0
371.125244140625	276.0
371.18426513671875	116996.0
371.3099060058594	116.0
371.4710693359375	148.0
371.51190185546875	312.0
371.5722961425781	192.0
371.5799560546875	368.0
371.62237548828125	160.0
371.6728515625	112.0
371.7448425292969	172.0
371.8123474121094	588.0
371.8465576171875	144.0
371.8752136230469	188.0
371.9102478027344	188.0
372.005126953125	112.0
372.08282470703125	196.0
372.0946350097656	160.0
372.1202697753906	364.0
372.179443359375	30280.0
372.3309326171875	220.0
372.3941650390625	136.0
372.4358215332031	176.0
372.6501159667969	216.0
372.7160949707031	192.0
372.8409118652344	180.0
372.87225341796875	232.0
372.9170837402344	120.0
373.0039367675781	232.0
373.0390930175781	184.0
373.17987060546875	4816.0
373.2591247558594	212.0
373.30670166015625	252.0
373.3753356933594	280.0
373.4239807128906	308.0
373.4862365722656	232.0
373.5189514160156	308.0
373.5536193847656	228.0
373.6325378417969	184.0
373.6651306152344	260.0
373.6821594238281	120.0
373.6973571777344	304.0
373.7230224609375	464.0
373.8071594238281	356.0
373.859375	140.0
373.9173889160156	188.0
374.08538818359375	108.0
374.1751403808594	240.0
374.273681640625	104.0
374.4266052246094	96.0
374.50860595703125	104.0
374.5740966796875	108.0
374.61309814453125	208.0
374.6979675292969	152.0
374.78326416015625	104.0
374.8278503417969	152.0
375.15960693359375	120.0
375.2983093261719	160.0
376.15850830078125	112.0
376.3538818359375	196.0
376.5253601074219	160.0
377.1651611328125	176.0
378.32562255859375	160.0
379.0552978515625	112.0
379.26885986328125	96.0
380.5664978027344	156.0
381.8591613769531	124.0
382.259521484375	104.0
382.3412170410156	116.0
383.1590881347656	120.0
384.1310119628906	152.0
385.5387878417969	100.0
387.0938415527344	152.0
387.34991455078125	108.0
417.8043212890625	176.0
422.16864013671875	144.0
443.8898620605469	220.0
487.5302734375	112.0
512.8590087890625	140.0
538.7936401367188	160.0
573.6958618164062	108.0
599.7303466796875	144.0
606.8724975585938	140.0
758.424072265625	152.0
771.0222778320312	144.0
987.8203125	144.0
1083.3616943359375	188.0
1220.3775634765625	148.0
1432.7708740234375	140.0
1490.37548828125	164.0
1504.6240234375	236.0
1588.9114990234375	196.0
1622.2305908203125	156.0
1627.8388671875	152.0
1642.397705078125	200.0
1688.9488525390625	172.0
1703.7039794921875	228.0
1744.9854736328125	216.0
1749.785888671875	144.0
1749.935791015625	148.0
1771.574462890625	184.0
1772.1357421875	200.0
1776.1177978515625	152.0
1790.169921875	176.0
1795.5887451171875	140.0
1797.227294921875	164.0
1820.5458984375	160.0
1821.2763671875	156.0
1843.692138671875	144.0
1903.6602783203125	160.0
1906.5096435546875	208.0
1926.30517578125	164.0
1927.8953857421875	216.0
1929.3375244140625	160.0
1942.44677734375	220.0
1947.0546875	188.0
1948.873046875	188.0
1959.404541015625	196.0
1963.40625	200.0
1990.2366943359375	164.0
2000.763427734375	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079017
PEPMASS=447.218475
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=32.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=OLMESARTAN MEDOXOMIL [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCc1nc(c(C(=O)O)n1Cc2ccc(cc2)c3ccccc3c4nn[nH]n4)C(C)(C)O
INCHI=InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)
INCHIAUX=VTRAEEWXHOVJFV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079017
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079017
SCANS=1110
175.15045166015625	196.0
177.1050567626953	204.0
177.28256225585938	148.0
178.0794219970703	364.0
179.08433532714844	556.0
180.08236694335938	408.0
181.08636474609375	348.0
182.0873565673828	168.0
186.54026794433594	220.0
190.06507873535156	344.0
191.07579040527344	376.0
192.06893920898438	140.0
193.0733184814453	184.0
195.11366271972656	180.0
205.04937744140625	144.0
206.08262634277344	380.0
206.61700439453125	172.0
206.6942596435547	176.0
207.0229949951172	128.0
207.0578155517578	140.0
207.09031677246094	2956.0
208.09519958496094	592.0
218.89273071289062	140.0
231.08074951171875	168.0
234.46954345703125	204.0
235.10081481933594	268.0
236.10284423828125	148.0
303.1759338378906	172.0
325.1573486328125	148.0
343.0065612792969	268.0
357.1974182128906	296.0
370.178466796875	180.0
385.2087097167969	164.0
392.5914306640625	196.0
401.1969299316406	184.0
403.9829406738281	184.0
404.97161865234375	156.0
407.02667236328125	112.0
428.2796630859375	204.0
429.20281982421875	1880.0
429.2605285644531	140.0
430.20263671875	916.0
431.20001220703125	132.0
447.2167053222656	392.0
448.2193298339844	308.0
450.3160705566406	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079019
PEPMASS=727.236511
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=39.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one" [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCC(C)n1ncn(c2ccc(cc2)N3CCN(CC3)c4ccc(OCC5COC(Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4)c1=O
INCHI=InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3
INCHIAUX=VHVPQPYKVGDNFY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079019
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079019
SCANS=2343
199.37774658203125	140.0
213.65939331054688	144.0
300.1822814941406	168.0
322.1568298339844	152.0
328.46392822265625	148.0
333.6459655761719	160.0
333.8241271972656	192.0
341.1696472167969	160.0
354.1127624511719	196.0
414.7830810546875	144.0
415.1163024902344	168.0
415.1985778808594	3836.0
416.2005310058594	1176.0
417.2069091796875	340.0
417.9060363769531	156.0
428.0614013671875	164.0
429.0394287109375	100.0
436.3533020019531	148.0
442.0467529296875	156.0
525.1054077148438	168.0
579.3764038085938	148.0
703.2300415039062	144.0
707.0829467773438	144.0
724.7145385742188	164.0
726.2269287109375	156.0
726.6285400390625	148.0
726.8683471679688	196.0
727.1295166015625	124.0
727.2279052734375	12532.0
727.3798828125	156.0
728.0617065429688	184.0
728.2302856445312	5648.0
728.3665771484375	120.0
728.4150390625	108.0
728.5473022460938	108.0
729.0470581054688	120.0
729.2298583984375	10344.0
729.3524780273438	472.0
729.4671630859375	152.0
730.2279663085938	2716.0
731.050537109375	136.0
731.2301025390625	924.0
731.6326904296875	188.0
731.8341064453125	96.0
732.2267456054688	492.0
734.1104736328125	140.0
1009.2473754882812	144.0
1653.927978515625	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079020
PEPMASS=705.256897
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=39.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCC(C)n1ncn(c2ccc(cc2)N3CCN(CC3)c4ccc(OCC5COC(Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4)c1=O
INCHI=InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3
INCHIAUX=VHVPQPYKVGDNFY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079020
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079020
SCANS=2352
45.36865997314453	204.0
45.50968933105469	172.0
45.818870544433594	152.0
46.577789306640625	144.0
47.26627731323242	172.0
49.073020935058594	164.0
49.55381774902344	204.0
52.982112884521484	144.0
53.724853515625	124.0
53.74250030517578	156.0
54.12106704711914	160.0
54.820274353027344	148.0
54.96921157836914	176.0
55.4809684753418	204.0
55.66791915893555	148.0
56.11579895019531	140.0
56.26350021362305	152.0
58.3714599609375	224.0
59.6373176574707	156.0
60.21200180053711	200.0
60.97890853881836	180.0
61.21849060058594	172.0
62.451759338378906	196.0
63.129920959472656	140.0
63.77200698852539	168.0
63.939002990722656	172.0
64.84776306152344	176.0
66.18972778320312	176.0
67.556884765625	204.0
68.39376068115234	364.0
69.31861877441406	232.0
69.3932113647461	180.0
70.75102996826172	144.0
72.98831939697266	216.0
73.9384994506836	152.0
74.06861877441406	152.0
74.67623138427734	248.0
74.8104476928711	176.0
75.35714721679688	140.0
75.74292755126953	276.0
76.57665252685547	168.0
77.9130630493164	192.0
77.94996643066406	168.0
78.67208862304688	208.0
78.98486328125	140.0
79.87887573242188	236.0
80.4919662475586	180.0
81.02496337890625	148.0
82.04214477539062	160.0
83.58528137207031	168.0
84.06087493896484	164.0
85.88082122802734	148.0
86.27598571777344	156.0
87.86571502685547	164.0
88.33332061767578	180.0
88.90419006347656	140.0
93.9699478149414	196.0
94.82659912109375	140.0
96.77266693115234	144.0
98.683349609375	168.0
99.94062805175781	172.0
102.15938568115234	144.0
102.9979476928711	152.0
103.13736724853516	148.0
104.05097961425781	156.0
104.96249389648438	160.0
105.06651306152344	152.0
105.75719451904297	172.0
106.22232818603516	168.0
107.04507446289062	320.0
108.62550354003906	180.0
109.0262222290039	164.0
112.26063537597656	172.0
113.57612609863281	152.0
114.0219955444336	156.0
114.30482482910156	180.0
114.74998474121094	156.0
115.05583953857422	188.0
116.06278228759766	164.0
116.58010864257812	188.0
117.05551147460938	228.0
117.07169342041016	184.0
117.63763427734375	164.0
118.06481170654297	252.0
118.71009063720703	188.0
118.75849151611328	140.0
119.07217407226562	1652.0
119.57976531982422	164.0
120.07976531982422	612.0
120.10050201416016	140.0
121.0665054321289	160.0
121.08184051513672	188.0
121.75511932373047	172.0
122.06747436523438	304.0
122.27835845947266	156.0
122.92847442626953	176.0
123.76844787597656	196.0
124.21612548828125	152.0
124.5801773071289	184.0
125.46589660644531	184.0
125.76927185058594	176.0
126.98289489746094	196.0
127.84463500976562	160.0
128.06076049804688	128.0
129.06834411621094	780.0
130.06658935546875	784.0
131.05108642578125	164.0
131.07244873046875	432.0
132.03945922851562	144.0
132.08056640625	988.0
132.5453643798828	160.0
132.96502685546875	156.0
133.0476531982422	152.0
133.06503295898438	212.0
133.09194946289062	164.0
133.1785430908203	148.0
133.50489807128906	204.0
134.06016540527344	488.0
134.09425354003906	204.0
134.41941833496094	140.0
135.06716918945312	408.0
136.07481384277344	144.0
136.0952606201172	176.0
136.18118286132812	144.0
136.9673614501953	188.0
137.086181640625	220.0
138.11810302734375	176.0
138.27720642089844	152.0
138.72398376464844	140.0
139.2220001220703	388.0
140.910888671875	176.0
142.07330322265625	164.0
143.0919647216797	184.0
144.08067321777344	1852.0
145.0301971435547	176.0
145.0635528564453	352.0
145.08737182617188	600.0
145.3347625732422	184.0
145.536376953125	184.0
145.74774169921875	156.0
146.05996704101562	960.0
146.09695434570312	4668.0
146.2106170654297	144.0
147.06875610351562	132.0
147.10231018066406	520.0
147.55299377441406	140.0
148.07630920410156	1368.0
148.10430908203125	140.0
149.06459045410156	136.0
149.08164978027344	424.0
149.23072814941406	156.0
149.498291015625	180.0
151.01087951660156	188.0
151.7798309326172	208.0
152.04476928710938	148.0
152.9566192626953	144.0
155.0758819580078	160.0
156.08067321777344	448.0
156.37234497070312	200.0
157.09124755859375	324.0
157.82420349121094	220.0
158.09429931640625	576.0
158.33718872070312	144.0
158.49501037597656	172.0
158.97547912597656	1224.0
159.0687713623047	392.0
159.6295928955078	148.0
160.07493591308594	408.0
160.10812377929688	336.0
160.2311553955078	144.0
160.43023681640625	164.0
160.93988037109375	148.0
160.97329711914062	640.0
161.0915985107422	208.0
161.33653259277344	148.0
162.08956909179688	1408.0
162.69692993164062	172.0
163.0918731689453	440.0
164.01206970214844	168.0
164.0716094970703	624.0
164.3531494140625	104.0
165.07156372070312	144.0
166.03958129882812	144.0
166.42706298828125	152.0
166.58372497558594	168.0
167.01040649414062	152.0
167.07472229003906	184.0
167.12103271484375	176.0
169.6727752685547	200.0
170.09512329101562	344.0
171.06739807128906	232.0
171.10281372070312	276.0
172.07577514648438	2876.0
172.1126708984375	976.0
173.0821990966797	940.0
173.46060180664062	140.0
173.64413452148438	152.0
173.8356475830078	188.0
173.92225646972656	188.0
174.0626220703125	172.0
174.09144592285156	13756.0
174.17433166503906	160.0
174.29331970214844	176.0
174.35560607910156	200.0
174.96058654785156	188.0
175.0689239501953	116.0
175.0950927734375	2008.0
176.08123779296875	176.0
176.10076904296875	344.0
177.50497436523438	144.0
178.08984375	820.0
179.0832061767578	124.0
180.0089569091797	200.0
180.7065887451172	152.0
181.86424255371094	208.0
182.0924530029297	140.0
182.52243041992188	216.0
182.64883422851562	164.0
184.07289123535156	272.0
184.0961151123047	160.0
184.73939514160156	176.0
185.02354431152344	144.0
185.08309936523438	160.0
185.12643432617188	164.0
185.158935546875	196.0
185.50845336914062	204.0
185.9885711669922	196.0
186.09007263183594	300.0
186.18295288085938	148.0
186.9717559814453	1400.0
186.99966430664062	148.0
187.06356811523438	196.0
187.09361267089844	156.0
187.1276092529297	188.0
187.9708251953125	244.0
188.06951904296875	172.0
188.1084442138672	1476.0
188.9670867919922	836.0
189.076416015625	432.0
189.11033630371094	336.0
189.2517852783203	188.0
189.9731903076172	160.0
190.08558654785156	552.0
190.24974060058594	148.0
190.8284912109375	144.0
190.9641571044922	164.0
191.0054168701172	172.0
191.0960693359375	560.0
191.81460571289062	152.0
192.10191345214844	6848.0
192.1732177734375	208.0
192.40530395507812	152.0
192.7367401123047	144.0
193.1067352294922	1292.0
193.13760375976562	204.0
193.64688110351562	224.0
194.1072998046875	112.0
194.8507537841797	196.0
200.10745239257812	6920.0
200.1382293701172	160.0
200.9994659423828	160.0
201.07748413085938	496.0
201.11001586914062	844.0
201.73095703125	192.0
202.0891876220703	132.0
202.1099395751953	168.0
202.45245361328125	184.0
203.0254364013672	188.0
203.09326171875	8928.0
203.26318359375	248.0
203.97886657714844	140.0
204.09906005859375	1224.0
204.59617614746094	152.0
205.1042938232422	272.0
205.58807373046875	188.0
206.11508178710938	244.0
206.22494506835938	152.0
206.5880889892578	188.0
207.0976104736328	168.0
208.26783752441406	140.0
209.0555877685547	148.0
211.028564453125	176.0
211.369873046875	160.0
213.0718231201172	156.0
213.10789489746094	268.0
215.0934600830078	1736.0
216.09913635253906	692.0
217.1050262451172	124.0
218.11782836914062	4576.0
218.6810760498047	112.0
219.1201629638672	608.0
219.21054077148438	164.0
220.03073120117188	220.0
221.82322692871094	156.0
222.10740661621094	164.0
223.1009063720703	124.0
224.10403442382812	172.0
224.2367401123047	164.0
225.43943786621094	156.0
226.0045928955078	168.0
227.0980224609375	152.0
228.9994354248047	292.0
229.1097869873047	1376.0
229.48663330078125	144.0
230.07925415039062	120.0
230.11041259765625	724.0
231.12355041503906	428.0
231.3164520263672	144.0
231.5556640625	160.0
232.12193298339844	264.0
232.56527709960938	192.0
232.96499633789062	176.0
233.14129638671875	188.0
233.50714111328125	148.0
233.6501007080078	144.0
235.16151428222656	140.0
236.0260467529297	176.0
237.15875244140625	172.0
237.99624633789062	132.0
238.1477813720703	180.0
238.44473266601562	172.0
240.1380615234375	140.0
240.60708618164062	164.0
240.7058868408203	156.0
240.9907989501953	192.0
241.14456176757812	156.0
242.10382080078125	268.0
243.1212158203125	1196.0
244.130615234375	1592.0
245.13861083984375	1824.0
245.41708374023438	120.0
245.9152069091797	160.0
246.00572204589844	156.0
246.1406707763672	1112.0
248.4842987060547	160.0
249.13729858398438	148.0
249.98936462402344	176.0
251.11729431152344	144.0
251.64930725097656	148.0
252.1274871826172	220.0
252.39617919921875	152.0
255.60621643066406	176.0
255.68896484375	152.0
255.94862365722656	140.0
256.0052795410156	15724.0
256.6363525390625	116.0
256.7096252441406	100.0
257.00726318359375	2156.0
257.1298522949219	104.0
258.0016784667969	10144.0
258.1481018066406	276.0
259.0057067871094	1020.0
259.1556091308594	6296.0
259.9974670410156	1448.0
260.15997314453125	1076.0
261.1694641113281	464.0
263.8420104980469	244.0
264.1673278808594	232.0
265.0793151855469	144.0
265.1745300292969	216.0
265.9516906738281	152.0
266.0718078613281	152.0
266.4712829589844	148.0
267.1312255859375	212.0
267.3589782714844	152.0
267.9580993652344	148.0
269.009033203125	296.0
269.05389404296875	156.0
269.44580078125	200.0
270.0145568847656	152.0
270.13482666015625	600.0
270.96710205078125	200.0
271.0147399902344	160.0
271.15570068359375	5320.0
271.23358154296875	152.0
272.1570739746094	1032.0
273.0777893066406	172.0
273.1662902832031	584.0
274.07855224609375	220.0
274.15765380859375	156.0
275.06463623046875	164.0
276.3865661621094	160.0
278.42193603515625	140.0
278.9169616699219	148.0
279.0848388671875	1272.0
279.7552490234375	144.0
280.0907897949219	280.0
280.147216796875	124.0
281.10302734375	224.0
281.91986083984375	164.0
282.0259094238281	204.0
284.0154724121094	108.0
284.123046875	152.0
284.3478698730469	220.0
285.1695251464844	1092.0
285.2265319824219	252.0
286.1653747558594	1184.0
287.1822814941406	232.0
288.1793518066406	148.0
289.1746826171875	156.0
290.2378845214844	208.0
291.5821533203125	144.0
291.7861022949219	168.0
292.1578369140625	492.0
293.10205078125	200.0
293.1609191894531	224.0
294.10919189453125	104.0
295.1170959472656	144.0
295.14447021484375	168.0
296.0436706542969	332.0
296.14373779296875	184.0
296.822265625	176.0
298.0365295410156	276.0
298.1657409667969	660.0
298.3406677246094	112.0
298.3844909667969	168.0
299.17413330078125	3212.0
300.1787109375	864.0
301.1868591308594	444.0
301.6975402832031	156.0
303.7010192871094	152.0
306.1108703613281	168.0
306.1386413574219	176.0
306.1851806640625	292.0
306.2153625488281	160.0
307.1230163574219	244.0
310.16278076171875	396.0
310.7983093261719	168.0
310.96893310546875	136.0
312.0309143066406	908.0
314.027099609375	204.0
317.0008544921875	200.0
318.7467041015625	212.0
319.1400146484375	104.0
319.5111389160156	144.0
320.15325927734375	436.0
320.2942810058594	172.0
321.1565856933594	1616.0
322.165771484375	3480.0
323.1656494140625	524.0
324.71917724609375	176.0
327.0185852050781	156.0
330.3345642089844	168.0
331.1681213378906	288.0
332.1312255859375	168.0
332.16253662109375	332.0
332.51580810546875	164.0
333.1593933105469	144.0
333.8672790527344	280.0
334.17230224609375	544.0
335.1510314941406	12572.0
335.2542724609375	172.0
335.4510803222656	144.0
335.7249755859375	232.0
336.1477355957031	5752.0
336.22479248046875	244.0
337.1527404785156	1888.0
337.21405029296875	172.0
337.8905334472656	200.0
338.16168212890625	3452.0
338.30303955078125	168.0
338.4395446777344	208.0
339.1608581542969	552.0
340.1716003417969	104.0
340.7391662597656	204.0
341.4703369140625	136.0
342.8977966308594	176.0
346.1629943847656	132.0
346.3722839355469	196.0
346.7613220214844	240.0
347.17791748046875	568.0
348.04486083984375	140.0
348.0931396484375	148.0
348.1824951171875	21628.0
348.9518127441406	120.0
349.1834411621094	4356.0
350.178466796875	780.0
351.07757568359375	148.0
351.1581726074219	112.0
351.18963623046875	140.0
352.11505126953125	196.0
354.6180114746094	144.0
354.8241882324219	156.0
355.8033447265625	168.0
356.3291320800781	188.0
356.74627685546875	180.0
358.1665954589844	1228.0
359.1662292480469	276.0
360.17413330078125	148.0
361.1640930175781	164.0
362.1625671386719	148.0
362.20306396484375	156.0
362.23687744140625	208.0
363.1796569824219	348.0
364.0560302734375	188.0
364.1773986816406	2956.0
364.5056457519531	196.0
365.1792297363281	964.0
366.0538330078125	152.0
366.1773376464844	176.0
366.2785339355469	228.0
366.7471923828125	156.0
367.60528564453125	140.0
367.82281494140625	140.0
373.5861511230469	200.0
374.15869140625	1084.0
375.1646423339844	152.0
375.2060852050781	272.0
375.9395751953125	240.0
376.17694091796875	26344.0
376.2505187988281	168.0
376.46142578125	148.0
376.48944091796875	160.0
376.7347106933594	192.0
376.8670349121094	196.0
377.1797180175781	6272.0
377.22088623046875	3084.0
377.8858947753906	96.0
377.94964599609375	144.0
378.07720947265625	120.0
378.1846008300781	948.0
378.2276611328125	2552.0
378.2906799316406	104.0
379.23187255859375	496.0
379.37225341796875	112.0
379.7028503417969	96.0
379.8872375488281	100.0
380.0680847167969	204.0
380.2205810546875	108.0
383.6356201171875	148.0
384.53656005859375	140.0
387.2178039550781	176.0
387.3439025878906	204.0
387.67694091796875	176.0
388.21148681640625	224.0
388.66510009765625	220.0
389.0889587402344	200.0
390.1896057128906	532.0
390.22698974609375	416.0
390.4670104980469	120.0
390.63238525390625	180.0
390.72222900390625	164.0
390.80255126953125	152.0
390.98126220703125	128.0
391.11138916015625	128.0
391.2007751464844	248.0
391.2311096191406	172.0
391.5	148.0
391.6601867675781	112.0
391.70220947265625	140.0
391.86456298828125	156.0
391.89599609375	188.0
391.98468017578125	216.0
392.04150390625	112.0
392.0735168457031	252.0
392.13238525390625	124.0
392.2086181640625	88332.0
392.3318176269531	192.0
392.46142578125	132.0
392.5723571777344	148.0
392.68353271484375	104.0
392.7419738769531	116.0
392.827392578125	176.0
392.9111328125	152.0
393.0301208496094	112.0
393.0724792480469	164.0
393.111083984375	168.0
393.2121887207031	23432.0
393.30084228515625	152.0
393.3358459472656	108.0
393.6172180175781	132.0
393.6549072265625	164.0
393.82220458984375	248.0
393.9765319824219	132.0
394.1882629394531	8328.0
394.2181396484375	7480.0
394.3711853027344	116.0
394.4283142089844	200.0
394.4866027832031	140.0
395.1907653808594	2536.0
395.2168273925781	2048.0
395.294677734375	104.0
395.394775390625	132.0
395.5115661621094	172.0
395.58074951171875	152.0
395.612548828125	136.0
395.74859619140625	176.0
395.7978515625	144.0
395.981689453125	220.0
396.0937805175781	120.0
396.1322021484375	156.0
396.19647216796875	436.0
396.23028564453125	420.0
397.00738525390625	132.0
397.1910400390625	104.0
397.4539794921875	112.0
397.5884704589844	124.0
397.6309814453125	96.0
398.0597229003906	156.0
400.17315673828125	160.0
400.3382873535156	140.0
402.2229309082031	284.0
403.2359924316406	600.0
403.4024963378906	160.0
404.2447814941406	16828.0
404.362060546875	220.0
405.24749755859375	4896.0
406.2262268066406	828.0
406.4222106933594	156.0
407.0810852050781	196.0
407.2286682128906	204.0
408.03277587890625	152.0
408.23248291015625	204.0
408.3343505859375	148.0
411.1966552734375	124.0
411.7277526855469	160.0
413.0291748046875	180.0
414.22747802734375	1016.0
414.38531494140625	144.0
415.2319030761719	728.0
415.69091796875	164.0
416.2402648925781	248.0
416.88885498046875	180.0
417.0839538574219	152.0
418.21240234375	128.0
419.2325134277344	288.0
419.6540222167969	112.0
420.0714416503906	136.0
420.1298522949219	144.0
420.2386474609375	7704.0
420.3033752441406	136.0
421.2400817871094	2856.0
422.1405334472656	224.0
422.2129821777344	144.0
422.2439270019531	236.0
422.5931091308594	112.0
424.7769470214844	140.0
430.2171936035156	448.0
430.9150390625	200.0
431.2275695800781	412.0
431.6299133300781	96.0
431.83685302734375	172.0
431.9178161621094	160.0
431.9548034667969	148.0
432.01470947265625	176.0
432.1598205566406	156.0
432.2400207519531	28780.0
432.965087890625	144.0
433.2429504394531	6944.0
434.24755859375	896.0
435.2379150390625	104.0
435.5889587402344	136.0
435.6477966308594	140.0
436.26116943359375	140.0
444.0359802246094	144.0
446.0990905761719	152.0
447.09747314453125	268.0
447.8484191894531	132.0
448.1097412109375	128.0
448.2341003417969	756.0
449.0876770019531	392.0
449.23834228515625	388.0
449.81292724609375	152.0
450.0098876953125	212.0
450.0931701660156	276.0
450.2499694824219	23348.0
450.4447021484375	104.0
450.7653503417969	132.0
451.2510681152344	5500.0
451.313720703125	340.0
451.43719482421875	128.0
452.25592041015625	1352.0
453.2565612792969	240.0
453.3271484375	212.0
453.8603820800781	104.0
454.1982727050781	128.0
459.1049499511719	160.0
461.1043395996094	264.0
463.2206726074219	196.0
464.6267395019531	144.0
465.03009033203125	144.0
465.6011047363281	172.0
466.92047119140625	140.0
467.2623291015625	176.0
468.04364013671875	164.0
468.8276062011719	268.0
469.5346374511719	192.0
470.2896423339844	224.0
473.1057434082031	216.0
473.3981018066406	188.0
474.0608825683594	168.0
475.1050109863281	172.0
475.5967712402344	140.0
478.735107421875	144.0
479.6805419921875	232.0
481.46942138671875	188.0
491.7964782714844	96.0
498.5141906738281	192.0
499.37969970703125	128.0
506.30322265625	164.0
507.72833251953125	204.0
509.3261413574219	144.0
511.5035705566406	128.0
513.7420654296875	156.0
514.9833374023438	188.0
520.8062744140625	180.0
521.9805908203125	164.0
523.6234130859375	152.0
526.4052124023438	140.0
528.8007202148438	212.0
528.9838256835938	144.0
530.6880493164062	200.0
535.9139404296875	152.0
539.5184326171875	176.0
539.939208984375	144.0
542.7420043945312	104.0
543.9376831054688	176.0
545.0219116210938	124.0
546.7105102539062	148.0
547.4991455078125	144.0
547.9882202148438	188.0
548.4962158203125	148.0
550.3576049804688	164.0
552.1052856445312	196.0
553.2469482421875	156.0
554.0805053710938	160.0
556.0874633789062	204.0
556.7869873046875	140.0
558.3237915039062	196.0
559.2635498046875	112.0
561.3281860351562	196.0
562.4935302734375	236.0
564.1626586914062	152.0
568.8128051757812	160.0
573.5933227539062	164.0
575.5884399414062	152.0
575.6973876953125	156.0
580.1397705078125	240.0
581.135009765625	144.0
581.6484985351562	140.0
584.1517333984375	128.0
585.3648681640625	144.0
585.735595703125	160.0
586.6657104492188	148.0
588.392822265625	176.0
589.1220092773438	176.0
589.25732421875	180.0
589.4454345703125	192.0
593.7396240234375	152.0
595.1953735351562	176.0
595.2730712890625	160.0
598.0538940429688	140.0
598.521240234375	168.0
599.2177734375	168.0
601.1535034179688	156.0
601.3633422851562	144.0
602.6568603515625	156.0
603.7205810546875	124.0
607.048095703125	164.0
607.1903076171875	140.0
607.263916015625	160.0
608.1944580078125	236.0
608.6674194335938	188.0
610.8915405273438	96.0
612.0552978515625	148.0
612.7546997070312	164.0
613.1045532226562	156.0
615.2550659179688	152.0
617.9139404296875	152.0
618.057373046875	192.0
621.1438598632812	148.0
621.95263671875	152.0
622.1989135742188	120.0
622.466552734375	124.0
622.5484008789062	172.0
624.4816284179688	140.0
625.0957641601562	108.0
626.0592651367188	184.0
627.638916015625	160.0
631.2741088867188	152.0
633.4011840820312	164.0
634.2680053710938	140.0
634.7726440429688	136.0
636.1967163085938	228.0
637.2288208007812	184.0
638.0882568359375	192.0
638.2099609375	136.0
639.1932983398438	152.0
639.2686157226562	124.0
644.0004272460938	144.0
644.7317504882812	156.0
647.8344116210938	192.0
649.1828002929688	780.0
649.8031005859375	148.0
650.1890869140625	428.0
651.1820068359375	392.0
652.1774291992188	112.0
653.1838989257812	164.0
653.3057250976562	152.0
653.6231689453125	96.0
656.234130859375	152.0
657.0603637695312	192.0
659.8181762695312	148.0
660.3857421875	216.0
661.204345703125	160.0
661.3175048828125	164.0
663.232666015625	112.0
664.2190551757812	144.0
665.4435424804688	204.0
669.5778198242188	168.0
670.2908935546875	140.0
670.912353515625	156.0
672.432373046875	128.0
672.7127075195312	188.0
673.3736572265625	168.0
673.9573974609375	152.0
679.2040405273438	228.0
680.0577392578125	332.0
680.2911376953125	116.0
680.5211181640625	152.0
687.01611328125	124.0
687.192138671875	152.0
687.23388671875	156.0
689.2224731445312	340.0
689.568115234375	140.0
690.2091674804688	248.0
691.2049560546875	188.0
691.3383178710938	108.0
692.0140991210938	168.0
692.1865234375	124.0
692.4508666992188	148.0
692.5504150390625	196.0
693.55419921875	160.0
693.7608032226562	164.0
694.3505249023438	104.0
695.051025390625	140.0
695.3501586914062	160.0
695.6651000976562	144.0
696.8968505859375	96.0
697.1890869140625	152.0
697.6600341796875	100.0
697.8070678710938	264.0
698.1292724609375	152.0
698.4898071289062	116.0
698.7236328125	168.0
698.76904296875	144.0
698.8682250976562	100.0
698.9805297851562	120.0
699.0440063476562	184.0
699.3017578125	120.0
699.6182861328125	180.0
700.2694091796875	164.0
700.4196166992188	252.0
700.60546875	140.0
700.6504516601562	164.0
700.7871704101562	232.0
700.8882446289062	136.0
701.0253295898438	200.0
701.1762084960938	124.0
701.3238525390625	216.0
701.4651489257812	108.0
701.7130737304688	196.0
701.879150390625	152.0
702.2160034179688	108.0
702.2728271484375	184.0
702.343505859375	160.0
702.3853149414062	144.0
702.4432983398438	136.0
702.6491088867188	112.0
702.7144165039062	116.0
702.798828125	240.0
702.9114379882812	200.0
702.9852294921875	236.0
703.104736328125	96.0
703.1813354492188	172.0
703.2279663085938	372.0
703.4398803710938	220.0
703.5921630859375	140.0
703.6615600585938	116.0
703.6913452148438	252.0
703.837646484375	164.0
704.0361938476562	260.0
704.0990600585938	236.0
704.1870727539062	196.0
704.2337646484375	372.0
704.3557739257812	252.0
704.4152221679688	328.0
704.5205078125	324.0
704.6182250976562	184.0
704.6917724609375	308.0
704.743408203125	292.0
704.7791748046875	240.0
704.869873046875	292.0
704.8866577148438	392.0
704.9056396484375	320.0
704.9627075195312	332.0
705.0139770507812	392.0
705.0968627929688	184.0
705.1111450195312	596.0
705.1338500976562	404.0
705.2485961914062	193200.0
705.3768920898438	520.0
705.4680786132812	308.0
705.5270385742188	212.0
705.5899658203125	268.0
705.6875	240.0
705.7572021484375	516.0
705.8262329101562	500.0
705.8714599609375	388.0
705.931640625	224.0
705.9705200195312	496.0
706.0453491210938	396.0
706.1234130859375	1960.0
706.2505493164062	105520.0
706.3956298828125	324.0
706.5116577148438	432.0
706.633056640625	340.0
706.68798828125	404.0
706.7578735351562	172.0
706.8508911132812	280.0
706.8892822265625	500.0
706.9915161132812	348.0
707.0366821289062	304.0
707.116455078125	600.0
707.2468872070312	154180.0
707.3721923828125	212.0
707.413818359375	292.0
707.482421875	136.0
707.634033203125	216.0
707.6920166015625	260.0
707.76171875	256.0
707.8533935546875	280.0
707.9022827148438	112.0
708.0292358398438	116.0
708.1259765625	716.0
708.2470703125	57980.0
708.6077880859375	320.0
708.7051391601562	224.0
708.838623046875	348.0
708.9072875976562	124.0
708.957763671875	108.0
709.0635375976562	168.0
709.13623046875	364.0
709.2437133789062	21220.0
709.4290771484375	164.0
709.4732666015625	392.0
709.616943359375	228.0
709.6587524414062	212.0
709.7034301757812	264.0
709.77587890625	272.0
709.84423828125	376.0
709.9373779296875	536.0
709.9967651367188	208.0
710.0565795898438	244.0
710.1327514648438	308.0
710.2427368164062	4508.0
710.40673828125	164.0
710.6309814453125	228.0
710.6985473632812	192.0
710.7911987304688	128.0
710.897216796875	136.0
710.9656372070312	116.0
711.1010131835938	140.0
711.1625366210938	260.0
711.2376098632812	164.0
711.2899780273438	132.0
711.4248046875	136.0
711.495849609375	128.0
711.5869140625	192.0
711.7171630859375	220.0
711.8209228515625	100.0
711.9056396484375	96.0
711.9998168945312	288.0
712.0516357421875	240.0
712.1798706054688	280.0
712.240478515625	100.0
712.4269409179688	144.0
712.59716796875	148.0
712.6968994140625	112.0
712.8242797851562	244.0
712.8820190429688	100.0
713.0654296875	180.0
713.1533203125	144.0
713.2009887695312	148.0
713.4469604492188	144.0
713.7066650390625	128.0
713.7988891601562	236.0
713.925048828125	108.0
714.0130615234375	136.0
714.0792846679688	140.0
714.342529296875	116.0
714.6365966796875	96.0
714.8680419921875	108.0
716.3839721679688	100.0
716.4573974609375	96.0
716.771240234375	96.0
719.3333740234375	148.0
723.7401733398438	108.0
725.5426635742188	116.0
726.6414184570312	100.0
726.7430419921875	96.0
729.4575805664062	156.0
732.7769775390625	168.0
740.5115966796875	116.0
742.5838012695312	140.0
770.982421875	160.0
823.485107421875	148.0
842.2384033203125	144.0
872.1596069335938	140.0
904.6611938476562	140.0
909.2164916992188	144.0
944.6420288085938	136.0
944.80712890625	108.0
970.1024169921875	144.0
988.3978881835938	100.0
1023.4778442382812	196.0
1046.8277587890625	128.0
1058.661376953125	144.0
1141.3714599609375	208.0
1170.3316650390625	144.0
1188.81494140625	200.0
1195.4569091796875	112.0
1203.41455078125	144.0
1204.3951416015625	188.0
1428.312255859375	140.0
1451.770751953125	188.0
1462.064453125	204.0
1481.2745361328125	184.0
1548.9632568359375	116.0
1575.940673828125	164.0
1587.235595703125	224.0
1707.8226318359375	108.0
1719.6263427734375	164.0
1732.4014892578125	204.0
1737.4500732421875	180.0
1738.2548828125	140.0
1750.166259765625	204.0
1769.8046875	236.0
1795.7716064453125	192.0
1798.1761474609375	212.0
1809.435546875	244.0
1834.9827880859375	172.0
1869.485107421875	140.0
1909.3321533203125	176.0
1944.76025390625	204.0
1954.9549560546875	148.0
1996.329345703125	144.0
1996.7308349609375	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079021
PEPMASS=410.161133
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=EZETIMIBE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=O[C@@H](CC[C@@H]1[C@H](N(C1=O)c2ccc(F)cc2)c3ccc(O)cc3)c4ccc(F)cc4
INCHI=InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1
INCHIAUX=OLNTVTPDXPETLC-XPWALMASSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079021
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079021
SCANS=2046
44.92206954956055	212.0
45.766414642333984	192.0
50.29924011230469	196.0
50.909461975097656	152.0
54.17387008666992	180.0
55.87758255004883	232.0
57.86476516723633	164.0
60.52136993408203	144.0
61.31361389160156	176.0
63.324676513671875	196.0
65.45350646972656	176.0
65.73397827148438	208.0
70.6607666015625	208.0
75.19493865966797	164.0
75.29335021972656	168.0
76.23577880859375	184.0
79.31610107421875	164.0
83.39990997314453	156.0
85.92337799072266	144.0
86.95777130126953	184.0
87.13046264648438	212.0
90.88949584960938	188.0
93.78084564208984	148.0
94.4104995727539	180.0
99.22576141357422	196.0
103.05668640136719	156.0
103.37212371826172	144.0
105.08309173583984	164.0
105.63458251953125	156.0
106.40306854248047	140.0
106.60641479492188	164.0
107.05067443847656	504.0
107.6673583984375	228.0
109.0457534790039	244.0
109.0783462524414	156.0
110.0387191772461	192.0
110.06794738769531	216.0
111.04104614257812	156.0
115.05382537841797	1176.0
116.05744171142578	240.0
116.40628051757812	144.0
121.0270004272461	160.0
123.02135467529297	180.0
124.49818420410156	164.0
127.20651245117188	184.0
127.44232177734375	164.0
128.5749969482422	184.0
129.19183349609375	180.0
131.04556274414062	164.0
132.0350799560547	220.0
132.32110595703125	156.0
133.04513549804688	888.0
133.0648651123047	1516.0
133.11672973632812	164.0
134.04940795898438	612.0
134.06898498535156	424.0
134.41270446777344	160.0
135.00474548339844	136.0
135.06130981445312	17068.0
135.13636779785156	224.0
136.06301879882812	1692.0
137.06773376464844	160.0
141.87429809570312	148.0
145.97390747070312	144.0
147.04258728027344	400.0
148.04440307617188	172.0
149.0584716796875	520.0
151.05484008789062	568.0
159.04261779785156	772.0
161.06005859375	2300.0
162.0623016357422	396.0
165.0723419189453	164.0
166.0654754638672	168.0
167.07754516601562	188.0
177.06532287597656	180.0
193.05955505371094	164.0
195.8218536376953	172.0
209.06898498535156	128.0
211.0963134765625	144.0
216.08209228515625	300.0
227.090576171875	356.0
242.09779357910156	148.0
256.0745544433594	264.0
256.1255187988281	172.0
263.1002502441406	208.0
267.0567932128906	184.0
268.0740966796875	108.0
270.0885009765625	312.0
270.8659362792969	196.0
271.1149597167969	420.0
272.1161804199219	332.0
277.5628662109375	200.0
281.0871887207031	140.0
282.1041259765625	168.0
288.1181640625	296.0
289.1407470703125	216.0
290.1365966796875	164.0
296.11712646484375	152.0
298.1044616699219	132.0
299.107421875	1964.0
300.1123352050781	244.0
300.9344787597656	144.0
304.0325012207031	144.0
306.83258056640625	152.0
316.1142578125	328.0
317.1466369628906	220.0
328.18621826171875	184.0
392.1459045410156	1484.0
393.1482238769531	776.0
394.13427734375	176.0
409.1865539550781	184.0
410.1603088378906	368.0
599.6474609375	140.0
1152.0352783203125	144.0
1484.020263671875	140.0
1528.822998046875	188.0
1667.6029052734375	232.0
1680.1591796875	184.0
1712.974853515625	172.0
1722.0810546875	152.0
1777.8125	148.0
1793.405029296875	196.0
1809.167236328125	228.0
1843.880126953125	204.0
1859.561767578125	176.0
1860.1796875	156.0
1866.2364501953125	160.0
1904.9283447265625	184.0
1910.1873779296875	152.0
1924.506103515625	216.0
1940.4560546875	156.0
1947.001953125	144.0
1950.6834716796875	156.0
1957.079345703125	152.0
1978.6219482421875	184.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079022
PEPMASS=388.219269
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TRIMEBUTINE MALEATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c2ccccc2
INCHI=InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3
INCHIAUX=LORDFXWUHHSAQU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079022
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079022
SCANS=1176
45.13447570800781	144.0
45.22678756713867	172.0
45.26293182373047	176.0
45.47877502441406	156.0
45.571434020996094	152.0
45.68438720703125	180.0
45.696800231933594	132.0
45.810909271240234	224.0
45.87828826904297	172.0
46.04560852050781	148.0
46.25247573852539	232.0
46.52223587036133	172.0
46.53309631347656	240.0
46.569759368896484	188.0
46.58175277709961	164.0
46.619651794433594	144.0
46.67168426513672	192.0
46.788692474365234	148.0
46.82566452026367	132.0
46.983577728271484	144.0
47.02042007446289	220.0
47.08049011230469	164.0
47.17886734008789	152.0
47.214420318603516	184.0
47.24040603637695	148.0
47.26446533203125	144.0
47.31293869018555	164.0
47.3663444519043	224.0
47.506168365478516	176.0
47.965457916259766	228.0
48.01233673095703	144.0
48.04819869995117	180.0
48.102020263671875	188.0
48.11996841430664	208.0
48.22357177734375	272.0
48.28717041015625	160.0
48.472679138183594	172.0
48.494850158691406	172.0
48.541988372802734	168.0
48.57804870605469	156.0
48.611427307128906	136.0
48.65437316894531	172.0
48.71964645385742	144.0
48.76650619506836	188.0
49.26376724243164	192.0
49.2936897277832	148.0
49.36637878417969	164.0
49.395751953125	216.0
49.54955291748047	148.0
49.576908111572266	176.0
49.7741584777832	280.0
49.87109375	144.0
49.912567138671875	232.0
49.93326187133789	148.0
49.95405578613281	140.0
50.09100341796875	196.0
50.17938232421875	180.0
50.25836944580078	168.0
50.55086898803711	152.0
50.57917404174805	184.0
50.63618469238281	196.0
50.78179168701172	152.0
50.96918487548828	184.0
51.01466369628906	164.0
51.1882438659668	188.0
51.20526123046875	148.0
51.33073806762695	180.0
51.344024658203125	152.0
51.357425689697266	208.0
51.49057388305664	148.0
51.5865364074707	124.0
51.67354202270508	156.0
52.13669967651367	152.0
52.338253021240234	176.0
52.391380310058594	140.0
52.66720962524414	112.0
52.74492645263672	184.0
52.79408264160156	152.0
52.82735061645508	156.0
52.8533935546875	180.0
52.99594497680664	124.0
53.48032760620117	152.0
53.56241226196289	148.0
53.744102478027344	148.0
53.78788375854492	148.0
53.844825744628906	204.0
53.90910720825195	188.0
53.944183349609375	160.0
54.099246978759766	148.0
54.41444778442383	248.0
54.48347473144531	160.0
54.4996337890625	184.0
54.62018585205078	168.0
54.69964599609375	160.0
54.81157684326172	220.0
54.951255798339844	164.0
55.21458435058594	224.0
55.37590789794922	160.0
55.46355056762695	184.0
55.663612365722656	144.0
55.724510192871094	220.0
55.87169647216797	160.0
55.882110595703125	172.0
55.9416389465332	220.0
56.098052978515625	188.0
56.220359802246094	212.0
56.4818229675293	148.0
56.66595458984375	160.0
56.75288772583008	192.0
57.01408004760742	192.0
57.16446304321289	156.0
57.63190841674805	152.0
57.669742584228516	224.0
57.7384147644043	164.0
57.86180114746094	148.0
58.1771354675293	164.0
58.2318000793457	148.0
58.390907287597656	160.0
58.417240142822266	168.0
58.47810363769531	204.0
58.686805725097656	144.0
58.80426788330078	180.0
58.88365936279297	176.0
58.941707611083984	172.0
58.99061584472656	164.0
59.03648376464844	156.0
59.19257354736328	156.0
59.27528762817383	156.0
59.3902702331543	176.0
59.66360855102539	148.0
59.72156524658203	168.0
59.789737701416016	232.0
60.430118560791016	152.0
60.588035583496094	160.0
60.61127853393555	140.0
60.70428466796875	144.0
60.798912048339844	144.0
60.865665435791016	164.0
60.88895797729492	184.0
61.031925201416016	160.0
61.09165954589844	180.0
61.179725646972656	192.0
61.19996643066406	140.0
61.220211029052734	180.0
61.24357223510742	196.0
61.322574615478516	204.0
61.447784423828125	164.0
61.55392074584961	140.0
62.244476318359375	192.0
62.27745819091797	164.0
62.34876251220703	156.0
62.5472412109375	164.0
62.598812103271484	96.0
62.79054641723633	172.0
62.80789566040039	172.0
63.08265686035156	140.0
63.27407455444336	144.0
63.36751937866211	240.0
63.461029052734375	208.0
63.50384521484375	156.0
63.55865478515625	160.0
63.58317565917969	140.0
63.604061126708984	176.0
63.64331817626953	160.0
63.762638092041016	168.0
63.78956604003906	136.0
63.84371566772461	188.0
63.902976989746094	188.0
63.974185943603516	148.0
64.18289947509766	232.0
64.2619857788086	232.0
64.34723663330078	188.0
64.39195251464844	152.0
64.40473175048828	168.0
64.43827819824219	144.0
64.46543884277344	144.0
64.6039047241211	144.0
65.02275085449219	156.0
65.06689453125	264.0
65.10404968261719	112.0
65.16887664794922	268.0
65.64533233642578	164.0
65.6727523803711	232.0
65.70501708984375	140.0
65.84383392333984	164.0
65.93268585205078	160.0
65.98441314697266	240.0
66.10572814941406	196.0
66.21904754638672	264.0
66.41605377197266	124.0
66.76435852050781	208.0
67.05088806152344	172.0
67.17410278320312	140.0
67.58814239501953	212.0
67.82888793945312	172.0
67.86483764648438	164.0
68.0306625366211	148.0
68.08648681640625	296.0
68.1156234741211	184.0
68.142333984375	184.0
68.2162857055664	176.0
68.4515609741211	160.0
68.4807357788086	180.0
68.83082580566406	148.0
68.86715698242188	140.0
68.90349578857422	192.0
68.9365463256836	168.0
69.25253295898438	144.0
69.35857391357422	220.0
69.41328430175781	160.0
69.62403869628906	216.0
69.65725708007812	228.0
69.91497039794922	188.0
70.3499984741211	152.0
70.4334945678711	152.0
70.58557891845703	144.0
70.71773529052734	180.0
70.88688659667969	152.0
71.17462921142578	156.0
71.24090576171875	144.0
71.36614990234375	144.0
71.40731048583984	168.0
71.42581176757812	156.0
71.45441436767578	164.0
71.50994110107422	160.0
71.55707550048828	140.0
71.7845458984375	144.0
71.94483184814453	180.0
72.14108276367188	188.0
72.19659423828125	196.0
72.22364807128906	160.0
72.3353271484375	164.0
72.42168426513672	144.0
72.53213500976562	152.0
73.02252197265625	160.0
73.04122924804688	148.0
73.06504821777344	144.0
73.2489013671875	144.0
73.34602355957031	232.0
73.45515441894531	140.0
73.49439239501953	164.0
73.52096557617188	180.0
73.56777954101562	196.0
73.6275405883789	156.0
73.80355072021484	156.0
73.93013763427734	140.0
73.99860382080078	140.0
74.22820281982422	152.0
74.28308868408203	220.0
74.31053161621094	204.0
74.33970642089844	172.0
74.39806365966797	172.0
74.49250793457031	140.0
74.52515411376953	156.0
74.58186340332031	184.0
74.60420989990234	160.0
74.76417541503906	216.0
74.8003158569336	252.0
74.91741180419922	232.0
75.01564025878906	148.0
75.16223907470703	160.0
75.42301177978516	152.0
75.46796417236328	148.0
75.81989288330078	156.0
75.89910125732422	148.0
76.01705932617188	192.0
76.09830474853516	168.0
76.13905334472656	132.0
76.17996978759766	120.0
76.29322052001953	192.0
76.44242858886719	168.0
76.62322998046875	192.0
76.76158142089844	208.0
76.85577392578125	176.0
76.93081665039062	228.0
76.9936752319336	208.0
77.0423812866211	204.0
77.09150695800781	188.0
77.2016372680664	176.0
77.22795867919922	164.0
77.26461029052734	180.0
77.37311553955078	148.0
77.78740692138672	184.0
77.80789947509766	196.0
78.01887512207031	132.0
78.12246704101562	188.0
78.168212890625	140.0
78.26326751708984	180.0
78.61051940917969	148.0
78.65817260742188	176.0
78.67229461669922	176.0
78.88604736328125	168.0
78.96914672851562	172.0
79.02752685546875	176.0
79.30732727050781	140.0
79.37824249267578	140.0
79.40129852294922	152.0
79.53958892822266	216.0
79.58052062988281	156.0
79.8346176147461	180.0
79.9231948852539	176.0
80.02323150634766	228.0
80.0939712524414	244.0
80.33154296875	152.0
80.75308990478516	152.0
80.92308807373047	204.0
81.15959930419922	176.0
81.1793212890625	152.0
81.41979217529297	204.0
81.44673919677734	164.0
81.70199584960938	192.0
82.0963363647461	188.0
82.21371459960938	176.0
82.33958435058594	144.0
82.43402862548828	168.0
82.75780487060547	168.0
83.06427764892578	148.0
83.3197250366211	180.0
83.78213500976562	180.0
83.82586669921875	164.0
84.04650115966797	152.0
84.13045501708984	148.0
84.37525939941406	168.0
84.40816497802734	148.0
84.58197021484375	208.0
84.70465850830078	160.0
84.82278442382812	188.0
84.9178695678711	172.0
85.03652954101562	212.0
85.20178985595703	200.0
85.32353210449219	248.0
85.57330322265625	144.0
85.61949920654297	136.0
85.79438018798828	144.0
85.80728149414062	332.0
85.97329711914062	244.0
86.20597839355469	152.0
86.28360748291016	220.0
86.42406463623047	208.0
86.79647827148438	140.0
86.81316375732422	196.0
87.24764251708984	176.0
87.36797332763672	188.0
87.39759063720703	160.0
87.80812072753906	196.0
87.8659439086914	188.0
87.89952850341797	152.0
87.93685150146484	168.0
88.22991943359375	184.0
88.25074005126953	140.0
88.33875274658203	180.0
88.35916137695312	200.0
88.56507873535156	168.0
88.58943176269531	168.0
88.86689758300781	160.0
89.06401062011719	144.0
89.17486572265625	184.0
89.22185516357422	176.0
89.268310546875	164.0
89.5143051147461	176.0
89.53044128417969	208.0
89.61793518066406	152.0
89.63168334960938	152.0
89.79240417480469	144.0
89.99809265136719	192.0
90.10891723632812	112.0
90.16810607910156	144.0
90.21157836914062	176.0
90.23615264892578	156.0
90.5464859008789	148.0
90.55974578857422	144.0
90.72469329833984	160.0
90.97176361083984	152.0
91.0548095703125	4520.0
91.19535064697266	140.0
91.47115325927734	156.0
91.5035171508789	208.0
91.554931640625	164.0
91.8141098022461	176.0
91.89804077148438	196.0
92.02484893798828	164.0
92.04303741455078	116.0
92.05684661865234	660.0
92.22459411621094	180.0
92.49237823486328	328.0
92.63599395751953	160.0
92.79637145996094	152.0
93.4269027709961	284.0
93.57316589355469	176.0
93.67142486572266	220.0
93.76387023925781	220.0
93.85025024414062	136.0
93.8795394897461	180.0
94.04051208496094	328.0
94.2682113647461	224.0
94.60215759277344	204.0
94.63313293457031	164.0
94.80940246582031	144.0
95.0401611328125	172.0
95.05374145507812	176.0
95.42472839355469	156.0
95.89057159423828	232.0
95.92440032958984	156.0
96.052978515625	320.0
96.07879638671875	176.0
96.1064224243164	140.0
96.12788391113281	176.0
96.24890899658203	172.0
96.41104888916016	188.0
96.4396743774414	176.0
96.49700164794922	168.0
96.70635986328125	288.0
96.75138854980469	204.0
97.54003143310547	144.0
97.56553649902344	160.0
97.6795883178711	144.0
97.7760009765625	260.0
97.88558197021484	252.0
98.01270294189453	140.0
98.03387451171875	144.0
98.32658386230469	220.0
98.46800231933594	160.0
98.49960327148438	164.0
98.53689575195312	160.0
98.71898651123047	144.0
99.04582214355469	144.0
99.06535339355469	148.0
99.1975326538086	216.0
99.32899475097656	140.0
99.37298583984375	160.0
99.4281997680664	144.0
99.48576354980469	140.0
99.50164794921875	172.0
99.56436157226562	196.0
99.58504486083984	200.0
99.84341430664062	300.0
99.85733795166016	152.0
99.8971176147461	172.0
99.94685363769531	240.0
99.96476745605469	156.0
100.38508605957031	200.0
100.43294525146484	188.0
100.49079895019531	164.0
100.54667663574219	160.0
100.63050842285156	216.0
100.86024475097656	188.0
100.89653015136719	188.0
100.97821044921875	164.0
100.9922103881836	240.0
101.04022216796875	180.0
101.08424377441406	188.0
101.2403793334961	160.0
101.28644561767578	156.0
101.42671203613281	184.0
101.53297424316406	168.0
101.65935516357422	176.0
101.79385375976562	192.0
101.81697845458984	264.0
101.84004211425781	196.0
101.86615753173828	148.0
101.95858001708984	160.0
102.1636734008789	192.0
102.81449127197266	148.0
102.9856948852539	180.0
103.05517578125	240.0
103.1073226928711	144.0
103.24774932861328	208.0
103.4552230834961	208.0
103.68994140625	164.0
103.90715789794922	192.0
103.97772979736328	256.0
104.01673889160156	148.0
104.1609115600586	156.0
104.25640106201172	160.0
104.35600280761719	204.0
104.41090393066406	172.0
104.47599792480469	260.0
104.81193542480469	180.0
105.02803039550781	208.0
105.06114196777344	120.0
105.39268493652344	236.0
105.50708770751953	200.0
105.57817840576172	132.0
105.64083862304688	172.0
105.77892303466797	200.0
105.82502746582031	260.0
105.91922760009766	164.0
106.04026794433594	160.0
106.25337219238281	144.0
106.65792083740234	184.0
106.98705291748047	148.0
107.01191711425781	172.0
107.04972839355469	388.0
107.57044219970703	164.0
107.8265609741211	148.0
107.91885375976562	148.0
108.05826568603516	540.0
108.1181640625	160.0
108.13886260986328	160.0
108.29828643798828	200.0
108.43710327148438	184.0
108.49307250976562	156.0
108.524169921875	148.0
108.58546447753906	132.0
108.64653015136719	200.0
108.84785461425781	168.0
109.02821350097656	296.0
109.06527709960938	1972.0
109.09925842285156	176.0
109.16868591308594	112.0
109.31678771972656	252.0
109.4138412475586	148.0
109.45919799804688	168.0
109.86770629882812	156.0
109.97412872314453	164.0
110.07050323486328	308.0
110.18712615966797	204.0
110.30624389648438	180.0
110.53888702392578	128.0
110.55513000488281	212.0
110.65193939208984	192.0
110.72052001953125	176.0
111.04244995117188	436.0
111.08151245117188	864.0
111.15707397460938	144.0
111.4421157836914	172.0
111.46942901611328	164.0
111.51356506347656	152.0
111.89851379394531	200.0
111.92337799072266	208.0
111.9777603149414	152.0
112.00170135498047	148.0
112.08596801757812	176.0
112.11968994140625	200.0
112.37694549560547	200.0
112.56690979003906	204.0
112.70843505859375	180.0
112.74224853515625	216.0
112.80988311767578	180.0
112.9875259399414	148.0
113.0244140625	680.0
113.06034088134766	660.0
113.42799377441406	160.0
113.4619140625	176.0
113.51492309570312	164.0
113.70784759521484	140.0
113.99253845214844	156.0
114.06692504882812	192.0
114.22853088378906	184.0
114.28545379638672	180.0
114.40515899658203	144.0
114.42431640625	152.0
114.54570770263672	192.0
114.92517852783203	228.0
115.00200653076172	184.0
115.02641296386719	172.0
115.05362701416016	1172.0
115.07672119140625	288.0
115.1343765258789	144.0
115.39021301269531	272.0
115.51482391357422	144.0
115.61846160888672	220.0
115.66106414794922	200.0
115.75666809082031	168.0
115.793701171875	192.0
115.88823699951172	208.0
116.06283569335938	3140.0
116.34629821777344	156.0
116.55774688720703	176.0
116.72879028320312	164.0
116.7925796508789	112.0
116.81476593017578	168.0
117.00199127197266	252.0
117.06600189208984	624.0
117.26263427734375	148.0
117.30574035644531	160.0
117.33592224121094	248.0
117.43511199951172	192.0
117.4523696899414	144.0
117.95332336425781	148.0
118.04845428466797	144.0
118.06791687011719	164.0
118.16309356689453	172.0
118.41419219970703	180.0
118.50517272949219	172.0
118.57487487792969	120.0
118.68724060058594	176.0
118.92369842529297	160.0
119.04527282714844	188.0
119.08219909667969	168.0
119.25383758544922	176.0
119.42125701904297	176.0
119.98306274414062	192.0
120.02902221679688	196.0
120.05719757080078	152.0
120.27973937988281	164.0
120.53526306152344	188.0
120.74949645996094	180.0
120.78700256347656	216.0
120.99018859863281	148.0
121.02983856201172	544.0
121.06262969970703	192.0
121.2496337890625	188.0
121.53372955322266	240.0
121.6553726196289	216.0
121.77881622314453	152.0
121.84329986572266	156.0
121.86307525634766	320.0
122.03624725341797	2496.0
122.0706787109375	180.0
122.199462890625	204.0
122.45701599121094	184.0
122.51318359375	160.0
122.84716033935547	144.0
123.04361724853516	820.0
123.09435272216797	140.0
123.63816833496094	176.0
123.67357635498047	140.0
123.70161437988281	180.0
123.7267074584961	144.0
123.93046569824219	144.0
124.05332946777344	2948.0
124.2630386352539	148.0
124.63668060302734	140.0
124.67160034179688	152.0
125.06117248535156	404.0
125.08353424072266	172.0
125.23224639892578	208.0
125.77214813232422	140.0
125.87146759033203	140.0
126.03582763671875	132.0
126.06787872314453	432.0
126.103759765625	124.0
126.17839813232422	160.0
126.28572845458984	164.0
126.39982604980469	164.0
126.55426788330078	148.0
126.69088745117188	140.0
126.73793029785156	164.0
127.0002212524414	140.0
127.0350341796875	172.0
127.05593872070312	480.0
127.44470977783203	148.0
127.79996490478516	140.0
127.97102355957031	168.0
128.0587921142578	1508.0
128.17373657226562	144.0
128.2683868408203	156.0
128.36183166503906	152.0
128.5525665283203	152.0
128.61801147460938	156.0
128.6541290283203	228.0
128.74444580078125	180.0
128.89906311035156	236.0
128.9274444580078	160.0
128.97715759277344	196.0
128.9975128173828	140.0
129.01559448242188	172.0
129.0484161376953	116.0
129.0703887939453	6568.0
129.35096740722656	140.0
129.38307189941406	128.0
129.4998321533203	184.0
129.52247619628906	196.0
129.68804931640625	216.0
129.83978271484375	144.0
129.89927673339844	176.0
130.0463104248047	152.0
130.07530212402344	852.0
130.1182098388672	108.0
130.3063507080078	176.0
130.43321228027344	244.0
130.81324768066406	156.0
130.89649963378906	276.0
130.94432067871094	200.0
130.97463989257812	152.0
131.0365753173828	192.0
131.086669921875	136276.0
131.16641235351562	104.0
131.18463134765625	200.0
131.21905517578125	136.0
131.2446746826172	216.0
131.2766876220703	156.0
131.32899475097656	216.0
131.37486267089844	220.0
131.43109130859375	428.0
131.46083068847656	148.0
131.63758850097656	164.0
131.787841796875	112.0
131.97727966308594	128.0
132.0089569091797	156.0
132.01889038085938	228.0
132.054443359375	168.0
132.0899200439453	12940.0
132.17031860351562	244.0
132.6404571533203	140.0
132.7526092529297	232.0
132.7893524169922	100.0
132.99156188964844	260.0
133.0113983154297	180.0
133.06993103027344	176.0
133.09207153320312	880.0
133.31097412109375	228.0
133.71920776367188	184.0
133.862548828125	164.0
133.89088439941406	144.0
133.94351196289062	132.0
133.965576171875	140.0
133.99783325195312	156.0
134.0183563232422	124.0
134.04043579101562	404.0
134.1841278076172	144.0
134.28366088867188	140.0
134.44619750976562	152.0
134.49000549316406	184.0
134.7579803466797	120.0
134.9151153564453	216.0
135.00653076171875	156.0
135.04502868652344	504.0
135.1644744873047	184.0
136.05133056640625	256.0
136.19210815429688	140.0
136.53713989257812	264.0
136.64645385742188	192.0
136.85826110839844	160.0
136.9351043701172	188.0
136.9537353515625	160.0
137.02349853515625	1604.0
137.06057739257812	1204.0
137.16810607910156	204.0
137.37564086914062	148.0
137.43536376953125	160.0
137.7725067138672	172.0
137.95712280273438	140.0
138.03073120117188	148.0
138.0682830810547	5808.0
138.11837768554688	140.0
138.18397521972656	152.0
138.5491943359375	196.0
138.67514038085938	144.0
138.7460479736328	228.0
138.86094665527344	168.0
138.9641571044922	204.0
139.00901794433594	132.0
139.04055786132812	2888.0
139.0757293701172	13996.0
139.13479614257812	224.0
139.27029418945312	108.0
139.32461547851562	136.0
139.7128448486328	172.0
139.7347869873047	172.0
139.7550048828125	108.0
139.81243896484375	168.0
139.9607391357422	140.0
140.04737854003906	388.0
140.07997131347656	1092.0
140.1256103515625	220.0
140.18516540527344	100.0
140.46507263183594	388.0
140.6302490234375	152.0
140.69161987304688	140.0
141.01861572265625	1052.0
141.05282592773438	224.0
141.0734100341797	200.0
141.09559631347656	184.0
141.14051818847656	180.0
141.6366729736328	140.0
141.79086303710938	132.0
141.82469177246094	140.0
141.9048309326172	188.0
142.01840209960938	280.0
142.0760498046875	156.0
142.37986755371094	204.0
142.41864013671875	208.0
142.82192993164062	144.0
143.06988525390625	632.0
143.970703125	368.0
144.06817626953125	164.0
144.2239532470703	176.0
144.33152770996094	164.0
144.5252685546875	192.0
144.58270263671875	152.0
144.67845153808594	164.0
145.09764099121094	384.0
145.22958374023438	164.0
145.49734497070312	136.0
145.77696228027344	152.0
146.0948486328125	168.0
146.1256103515625	216.0
146.20501708984375	200.0
146.2314910888672	152.0
146.51803588867188	160.0
146.91098022460938	176.0
146.9363250732422	144.0
147.10511779785156	772.0
147.13607788085938	176.0
148.45895385742188	212.0
148.71127319335938	148.0
148.75253295898438	172.0
148.89169311523438	164.0
149.06097412109375	300.0
149.0901336669922	308.0
149.57656860351562	212.0
149.79098510742188	144.0
149.87855529785156	164.0
150.0321044921875	164.0
150.09548950195312	180.0
150.71548461914062	148.0
151.0088348388672	160.0
151.0393829345703	2444.0
151.3245086669922	196.0
151.40040588378906	172.0
151.76797485351562	172.0
151.95191955566406	168.0
151.96910095214844	288.0
152.007568359375	160.0
152.04769897460938	21132.0
152.1070098876953	124.0
152.1553955078125	168.0
152.1834716796875	108.0
152.24647521972656	192.0
152.33322143554688	164.0
152.4541015625	132.0
152.5403594970703	156.0
152.60276794433594	140.0
152.69866943359375	380.0
152.7454071044922	152.0
152.77261352539062	140.0
152.84706115722656	196.0
152.9791717529297	172.0
153.05233764648438	2548.0
153.3067626953125	172.0
153.62359619140625	140.0
153.79014587402344	156.0
153.84197998046875	208.0
153.86172485351562	256.0
153.91770935058594	128.0
154.02981567382812	124.0
154.06356811523438	67108.0
154.2443084716797	124.0
154.2975616455078	116.0
154.3306121826172	112.0
154.5537567138672	164.0
154.8684844970703	120.0
155.03317260742188	716.0
155.06640625	4128.0
155.2895050048828	196.0
155.38059997558594	136.0
155.47657775878906	148.0
155.564453125	204.0
155.62451171875	156.0
155.70814514160156	124.0
156.04246520996094	3260.0
156.06942749023438	388.0
156.10086059570312	176.0
156.13385009765625	152.0
156.1925506591797	112.0
156.26177978515625	112.0
156.3291015625	124.0
156.37953186035156	100.0
156.92327880859375	152.0
156.94570922851562	164.0
157.04595947265625	524.0
157.07920837402344	128.0
157.40858459472656	128.0
158.1197967529297	172.0
158.2449493408203	228.0
158.34262084960938	260.0
158.66334533691406	176.0
159.2429962158203	164.0
159.37612915039062	148.0
159.4665985107422	140.0
159.49424743652344	200.0
159.7406768798828	252.0
159.95204162597656	164.0
160.1862335205078	176.0
160.54664611816406	188.0
160.81155395507812	176.0
161.26112365722656	156.0
161.4507293701172	164.0
161.6556396484375	152.0
161.8151092529297	160.0
162.0317840576172	396.0
162.8040008544922	152.0
163.0349578857422	140.0
163.4539337158203	160.0
163.56004333496094	132.0
163.62274169921875	292.0
163.68385314941406	148.0
163.96144104003906	116.0
164.377197265625	168.0
164.545654296875	144.0
164.58395385742188	152.0
164.90838623046875	160.0
165.02113342285156	184.0
165.05271911621094	312.0
165.19989013671875	140.0
165.37550354003906	196.0
165.51724243164062	160.0
165.5991973876953	140.0
166.05722045898438	164.0
166.47885131835938	140.0
166.771728515625	144.0
166.8848419189453	144.0
167.0366668701172	300.0
167.0709228515625	13692.0
167.41749572753906	140.0
167.4432373046875	140.0
167.53854370117188	140.0
167.7885284423828	160.0
167.90869140625	160.0
168.0478515625	144.0
168.07406616210938	1404.0
168.32003784179688	140.0
168.36135864257812	152.0
168.40008544921875	140.0
168.73342895507812	204.0
168.9842987060547	144.0
169.0382537841797	244.0
169.0868377685547	21532.0
169.3041229248047	176.0
169.3226318359375	216.0
169.39532470703125	124.0
169.4626922607422	104.0
169.55056762695312	148.0
169.59231567382812	192.0
169.9130096435547	112.0
170.05728149414062	312.0
170.0894317626953	1732.0
170.37258911132812	128.0
170.84706115722656	140.0
170.9459228515625	192.0
171.03053283691406	204.0
171.06521606445312	428.0
171.09051513671875	276.0
171.3208465576172	164.0
171.5247802734375	124.0
172.25735473632812	160.0
172.52651977539062	144.0
172.869140625	164.0
173.00787353515625	152.0
173.07855224609375	204.0
173.60000610351562	320.0
175.4906005859375	180.0
175.6153106689453	300.0
175.7784423828125	156.0
175.83616638183594	172.0
175.93692016601562	184.0
176.14488220214844	552.0
176.512451171875	188.0
176.58384704589844	248.0
176.75579833984375	220.0
176.8537139892578	140.0
177.021240234375	116.0
177.0814208984375	144.0
177.12379455566406	152.0
177.3172149658203	220.0
177.40733337402344	228.0
177.5717315673828	168.0
177.64334106445312	236.0
177.77865600585938	144.0
177.84767150878906	184.0
177.8795166015625	168.0
177.99899291992188	156.0
178.0494384765625	176.0
178.5198211669922	196.0
178.62355041503906	144.0
178.6847381591797	168.0
179.96107482910156	176.0
180.04197692871094	724.0
180.33242797851562	132.0
180.66722106933594	188.0
181.049072265625	436.0
181.08660888671875	872.0
181.11663818359375	188.0
181.14610290527344	156.0
181.29725646972656	164.0
181.32562255859375	200.0
181.92420959472656	124.0
182.0311737060547	168.0
182.35354614257812	160.0
182.93992614746094	156.0
183.03041076660156	1004.0
183.06256103515625	284.0
183.1147003173828	176.0
183.1913604736328	172.0
183.4140167236328	140.0
183.8536376953125	144.0
184.036865234375	1496.0
184.35594177246094	160.0
184.77774047851562	148.0
184.96987915039062	152.0
185.04026794433594	280.0
185.08062744140625	836.0
185.42762756347656	140.0
185.78012084960938	160.0
186.08702087402344	100.0
186.1465301513672	212.0
186.27960205078125	160.0
186.46530151367188	128.0
186.50242614746094	156.0
187.22340393066406	148.0
187.4331512451172	180.0
187.5647735595703	148.0
187.8093719482422	176.0
187.91848754882812	188.0
188.65586853027344	144.0
188.68319702148438	212.0
188.72421264648438	216.0
189.06887817382812	212.0
189.1201171875	116.0
189.28787231445312	148.0
189.48507690429688	172.0
190.3902587890625	140.0
190.4891357421875	176.0
191.67767333984375	144.0
191.9036865234375	176.0
192.0419921875	156.0
192.07420349121094	196.0
192.2926483154297	216.0
192.3202362060547	212.0
192.44337463378906	132.0
192.79342651367188	96.0
192.8560791015625	152.0
192.92457580566406	384.0
192.9860076904297	216.0
193.4821014404297	168.0
193.50338745117188	148.0
193.64089965820312	140.0
193.8894805908203	180.0
193.9717254638672	132.0
194.0114288330078	136.0
194.0593719482422	136.0
194.13125610351562	140.0
194.20396423339844	108.0
194.27659606933594	216.0
194.33006286621094	132.0
194.3539276123047	156.0
194.3733367919922	304.0
194.54971313476562	244.0
194.5788116455078	168.0
194.60374450683594	100.0
194.62831115722656	544.0
194.66807556152344	180.0
194.763916015625	316.0
194.797119140625	316.0
194.8439178466797	212.0
194.89572143554688	228.0
194.92245483398438	188.0
194.95726013183594	276.0
195.02320861816406	240.0
195.06732177734375	380144.0
195.17425537109375	188.0
195.20021057128906	140.0
195.2478790283203	232.0
195.2647705078125	272.0
195.30348205566406	360.0
195.34072875976562	108.0
195.38316345214844	204.0
195.44358825683594	424.0
195.47727966308594	380.0
195.52346801757812	6728.0
195.5565643310547	172.0
195.6361541748047	184.0
195.70870971679688	212.0
195.8465118408203	260.0
195.89739990234375	264.0
195.93075561523438	148.0
195.96646118164062	320.0
196.03497314453125	244.0
196.0693359375	52704.0
196.1216583251953	100.0
196.16224670410156	172.0
196.2093963623047	172.0
196.22850036621094	96.0
196.31417846679688	188.0
196.3546600341797	168.0
196.41647338867188	216.0
196.4551544189453	120.0
196.50076293945312	136.0
196.62548828125	208.0
196.67172241210938	260.0
196.78260803222656	148.0
196.8977508544922	156.0
196.92034912109375	180.0
197.00408935546875	280.0
197.07118225097656	4904.0
197.15841674804688	104.0
197.18934631347656	108.0
197.2279510498047	96.0
197.2613525390625	232.0
197.29360961914062	252.0
197.30551147460938	188.0
197.33294677734375	268.0
197.36752319335938	224.0
197.40304565429688	248.0
197.44712829589844	204.0
197.4674835205078	120.0
197.51467895507812	268.0
197.54464721679688	268.0
197.58848571777344	316.0
197.6372528076172	240.0
197.65943908691406	204.0
197.69410705566406	140.0
197.7259063720703	96.0
197.76205444335938	120.0
197.784912109375	160.0
197.8065643310547	212.0
197.82969665527344	148.0
197.969482421875	104.0
198.05343627929688	19892.0
198.19827270507812	160.0
198.3243865966797	160.0
198.3710174560547	184.0
198.4270782470703	128.0
198.5445098876953	104.0
198.5729522705078	188.0
198.60006713867188	104.0
198.85946655273438	112.0
198.9104766845703	144.0
198.9932098388672	192.0
199.01638793945312	196.0
199.05746459960938	2000.0
199.0914306640625	200.0
199.43814086914062	192.0
199.53135681152344	104.0
200.05718994140625	184.0
200.42356872558594	168.0
200.92381286621094	296.0
201.09228515625	108.0
201.57887268066406	236.0
201.62318420410156	152.0
202.86947631835938	176.0
204.3377227783203	176.0
204.39747619628906	176.0
204.76754760742188	216.0
204.83920288085938	156.0
205.02110290527344	160.0
205.09170532226562	104.0
205.5087127685547	160.0
206.39987182617188	200.0
206.44041442871094	136.0
207.07809448242188	168.0
207.44485473632812	140.0
207.7535858154297	140.0
208.24253845214844	140.0
208.84324645996094	204.0
208.91514587402344	180.0
209.86843872070312	196.0
209.9203338623047	116.0
210.04783630371094	156.0
210.1222381591797	196.0
211.0331268310547	156.0
211.376220703125	148.0
211.48233032226562	128.0
212.38485717773438	128.0
212.685546875	172.0
212.77459716796875	120.0
212.8197021484375	192.0
212.84584045410156	176.0
212.9340362548828	252.0
212.9840545654297	148.0
213.01565551757812	112.0
213.07754516601562	151432.0
213.1322479248047	252.0
213.28314208984375	280.0
213.32447814941406	228.0
213.36375427246094	108.0
213.554931640625	464.0
213.75955200195312	212.0
214.04795837402344	208.0
214.08018493652344	13136.0
214.1689910888672	164.0
215.04605102539062	164.0
215.0811004638672	1568.0
215.1533660888672	152.0
215.20620727539062	148.0
215.32403564453125	184.0
215.3662109375	164.0
215.48739624023438	156.0
215.56942749023438	144.0
215.7841033935547	144.0
215.83445739746094	108.0
216.09866333007812	188.0
216.66848754882812	108.0
216.72669982910156	96.0
218.74871826171875	196.0
219.23175048828125	172.0
219.93663024902344	176.0
220.6988067626953	140.0
221.11338806152344	136.0
223.171630859375	184.0
224.08238220214844	144.0
225.07565307617188	1696.0
225.1681671142578	256.0
226.0799102783203	288.0
226.56504821777344	152.0
226.9424591064453	112.0
227.07461547851562	152.0
227.1046142578125	160.0
228.399169921875	196.0
231.08926391601562	580.0
231.12942504882812	220.0
232.78750610351562	156.0
232.84521484375	188.0
234.10423278808594	168.0
234.18951416015625	140.0
235.12107849121094	460.0
236.3998565673828	200.0
238.09512329101562	140.0
238.771240234375	144.0
239.0939483642578	112.0
239.67320251464844	192.0
239.8334503173828	148.0
240.09242248535156	164.0
240.13063049316406	176.0
240.61697387695312	180.0
240.94125366210938	152.0
241.38941955566406	156.0
242.79225158691406	152.0
244.62229919433594	156.0
246.599853515625	140.0
246.80303955078125	140.0
250.26072692871094	140.0
251.269287109375	180.0
251.5312042236328	144.0
251.78379821777344	160.0
252.00491333007812	152.0
253.36532592773438	148.0
253.43185424804688	180.0
254.09481811523438	120.0
254.38645935058594	148.0
254.51026916503906	216.0
254.65953063964844	168.0
254.87872314453125	172.0
255.0439910888672	252.0
257.12176513671875	96.0
258.715576171875	172.0
259.38507080078125	156.0
260.6752624511719	172.0
262.4004821777344	164.0
262.8918151855469	160.0
263.06182861328125	168.0
265.0982360839844	156.0
266.08343505859375	120.0
266.13446044921875	136.0
267.5817565917969	172.0
267.71124267578125	216.0
267.7470703125	148.0
269.1264343261719	172.0
269.1852111816406	144.0
269.34197998046875	200.0
269.51837158203125	224.0
269.8059997558594	140.0
270.0479736328125	180.0
271.5545654296875	220.0
271.6857604980469	248.0
272.47039794921875	168.0
273.6064147949219	140.0
273.91455078125	184.0
275.1578063964844	140.0
275.8349914550781	164.0
276.427001953125	144.0
276.50311279296875	244.0
276.9269104003906	144.0
277.10577392578125	240.0
277.2515869140625	172.0
277.7323303222656	140.0
278.2998046875	176.0
279.090576171875	248.0
281.110595703125	176.0
282.422119140625	140.0
283.07135009765625	164.0
283.1383361816406	144.0
283.92254638671875	192.0
284.6272277832031	148.0
285.5110168457031	160.0
285.8777160644531	148.0
287.1328125	164.0
287.2605285644531	104.0
288.13006591796875	176.0
292.177978515625	140.0
292.3174743652344	272.0
293.0018310546875	148.0
293.2983093261719	168.0
294.1271667480469	168.0
294.2117919921875	168.0
294.79998779296875	172.0
295.03924560546875	160.0
295.53515625	156.0
297.1492614746094	288.0
297.3376159667969	140.0
298.6672668457031	152.0
299.1631164550781	324.0
299.1922912597656	180.0
299.6138916015625	184.0
300.1663513183594	176.0
300.427490234375	168.0
302.99609375	144.0
303.3183898925781	140.0
303.46051025390625	160.0
303.7379455566406	148.0
305.2973937988281	176.0
305.5165100097656	160.0
306.39727783203125	176.0
306.6073303222656	200.0
306.81201171875	164.0
306.9410095214844	148.0
307.1258239746094	164.0
308.1346740722656	312.0
308.4459533691406	164.0
309.1591796875	204.0
309.582763671875	152.0
310.0872497558594	140.0
310.54302978515625	140.0
311.3713073730469	260.0
311.462646484375	172.0
312.2921447753906	156.0
314.35662841796875	164.0
314.88262939453125	144.0
315.0874938964844	168.0
317.519287109375	156.0
317.61859130859375	148.0
318.6445007324219	176.0
319.2264404296875	160.0
320.10992431640625	156.0
321.1434326171875	148.0
323.7452392578125	188.0
324.3220520019531	144.0
325.1444091796875	1380.0
326.151611328125	480.0
327.1492614746094	124.0
328.15179443359375	140.0
328.7384948730469	148.0
329.05096435546875	188.0
329.1030578613281	176.0
329.9307556152344	124.0
330.11480712890625	164.0
333.9299621582031	184.0
334.98187255859375	164.0
336.4113464355469	148.0
336.5135803222656	224.0
336.9591369628906	160.0
337.6170959472656	164.0
339.4501647949219	120.0
339.559326171875	132.0
339.87017822265625	104.0
340.01885986328125	108.0
340.1341247558594	152.0
340.5453796386719	140.0
340.6384582519531	164.0
340.9216003417969	112.0
341.14227294921875	108.0
341.180908203125	180.0
341.2508239746094	120.0
341.57666015625	152.0
341.6226501464844	108.0
341.7364196777344	176.0
341.79266357421875	96.0
341.85797119140625	124.0
341.9624328613281	96.0
341.99249267578125	156.0
342.0455322265625	164.0
342.08807373046875	292.0
342.12408447265625	180.0
342.15966796875	212.0
342.2676086425781	212.0
342.4114074707031	388.0
342.4858093261719	184.0
342.5849609375	152.0
342.6394348144531	136.0
342.6786804199219	116.0
342.7364807128906	208.0
342.82366943359375	152.0
342.85614013671875	144.0
342.8970031738281	192.0
342.94158935546875	316.0
343.01141357421875	260.0
343.0647277832031	276.0
343.11376953125	576.0
343.15753173828125	219840.0
343.2807312011719	108.0
343.3180236816406	204.0
343.3938293457031	220.0
343.42138671875	160.0
343.46826171875	244.0
343.5209045410156	456.0
343.5528869628906	160.0
343.6324157714844	244.0
343.6896667480469	220.0
343.72210693359375	360.0
343.7626953125	5656.0
343.80615234375	424.0
343.8605041503906	424.0
343.90130615234375	180.0
343.97332763671875	236.0
344.0248107910156	260.0
344.0650634765625	388.0
344.15924072265625	70016.0
344.3167419433594	200.0
344.3905029296875	252.0
344.4602966308594	200.0
344.6339111328125	96.0
344.6700744628906	136.0
344.71484375	244.0
344.76788330078125	144.0
344.8353576660156	160.0
344.88116455078125	116.0
344.9082946777344	164.0
344.949462890625	100.0
345.16082763671875	11132.0
345.26824951171875	160.0
345.3493347167969	188.0
345.4328308105469	136.0
345.6569519042969	104.0
345.7005615234375	196.0
345.80804443359375	136.0
345.9380798339844	132.0
346.011474609375	224.0
346.0653381347656	100.0
346.0968017578125	332.0
346.1645202636719	652.0
346.22271728515625	332.0
346.28265380859375	144.0
346.3313293457031	260.0
346.3805847167969	224.0
346.4446105957031	212.0
346.4859313964844	280.0
346.55560302734375	96.0
346.6072082519531	244.0
346.6417236328125	172.0
346.6918029785156	116.0
346.7220764160156	180.0
346.8584289550781	140.0
346.97125244140625	140.0
347.0567321777344	152.0
347.2388610839844	244.0
347.2683410644531	96.0
347.3979797363281	192.0
347.4669494628906	124.0
347.52142333984375	120.0
347.6271667480469	140.0
347.7455749511719	112.0
348.20916748046875	144.0
348.7140197753906	132.0
348.8946533203125	108.0
349.4410705566406	108.0
354.0045471191406	192.0
355.2879943847656	96.0
357.0818786621094	140.0
357.1683654785156	160.0
357.2091979980469	108.0
357.30889892578125	124.0
358.66082763671875	112.0
360.7681884765625	100.0
362.25677490234375	140.0
364.0545654296875	164.0
375.9875793457031	188.0
381.50323486328125	160.0
383.9991455078125	160.0
385.3028869628906	164.0
386.5602722167969	192.0
387.4428405761719	228.0
387.70703125	216.0
387.9483947753906	208.0
388.1365661621094	228.0
388.21331787109375	31536.0
388.36053466796875	104.0
388.4551696777344	168.0
388.5024719238281	124.0
388.770751953125	96.0
388.92120361328125	204.0
389.21600341796875	4400.0
390.21746826171875	2496.0
391.2177734375	280.0
391.40093994140625	156.0
391.7439270019531	140.0
393.6968688964844	148.0
394.4831237792969	164.0
415.993408203125	124.0
422.38177490234375	196.0
447.6849670410156	144.0
492.94970703125	144.0
542.90966796875	160.0
543.5353393554688	172.0
700.1240844726562	112.0
959.7555541992188	260.0
1072.66552734375	176.0
1081.0640869140625	208.0
1083.3236083984375	176.0
1144.043701171875	148.0
1163.7938232421875	168.0
1164.7852783203125	192.0
1167.007568359375	168.0
1169.8309326171875	168.0
1186.2254638671875	160.0
1210.089599609375	152.0
1225.536376953125	156.0
1238.0889892578125	168.0
1253.903564453125	160.0
1256.3641357421875	144.0
1260.9749755859375	192.0
1297.119384765625	168.0
1297.2484130859375	192.0
1300.325439453125	172.0
1313.0020751953125	200.0
1317.0076904296875	208.0
1321.3521728515625	168.0
1329.551513671875	256.0
1340.33154296875	172.0
1344.3421630859375	212.0
1348.9735107421875	164.0
1356.959716796875	212.0
1364.58056640625	176.0
1365.146728515625	152.0
1372.1859130859375	148.0
1373.0191650390625	216.0
1385.385009765625	140.0
1399.2205810546875	160.0
1401.3729248046875	160.0
1402.587646484375	220.0
1403.034912109375	176.0
1403.176513671875	140.0
1406.4439697265625	200.0
1409.812255859375	160.0
1442.041748046875	176.0
1442.7945556640625	140.0
1442.88525390625	168.0
1446.17578125	192.0
1453.7591552734375	112.0
1461.3302001953125	164.0
1464.481689453125	168.0
1468.1781005859375	152.0
1470.0699462890625	148.0
1470.2149658203125	144.0
1473.0933837890625	140.0
1475.3477783203125	152.0
1479.984130859375	204.0
1485.85498046875	144.0
1486.8448486328125	148.0
1487.934814453125	160.0
1496.2840576171875	144.0
1498.3480224609375	208.0
1499.7119140625	156.0
1500.7603759765625	220.0
1502.88916015625	236.0
1505.243408203125	224.0
1509.8878173828125	152.0
1513.51708984375	160.0
1514.28369140625	140.0
1515.941650390625	188.0
1518.794677734375	156.0
1527.1287841796875	172.0
1527.3076171875	160.0
1529.3228759765625	208.0
1529.688720703125	144.0
1530.2647705078125	140.0
1534.1912841796875	148.0
1535.6650390625	140.0
1535.805419921875	156.0
1537.943359375	216.0
1541.4185791015625	188.0
1544.2799072265625	152.0
1547.612548828125	160.0
1548.044189453125	168.0
1555.9906005859375	188.0
1558.2567138671875	160.0
1560.197998046875	152.0
1560.78759765625	140.0
1562.4078369140625	156.0
1563.7061767578125	144.0
1564.0997314453125	172.0
1565.083740234375	160.0
1568.818115234375	148.0
1569.2359619140625	180.0
1572.5096435546875	220.0
1574.8466796875	240.0
1575.1864013671875	172.0
1578.0946044921875	180.0
1579.0830078125	184.0
1583.4835205078125	188.0
1583.6815185546875	152.0
1586.36767578125	184.0
1587.83447265625	160.0
1595.314208984375	220.0
1601.0111083984375	216.0
1603.0025634765625	140.0
1606.550537109375	200.0
1609.910888671875	176.0
1615.2337646484375	148.0
1618.03466796875	152.0
1621.462890625	140.0
1625.7293701171875	140.0
1627.1822509765625	180.0
1628.29833984375	208.0
1628.643798828125	196.0
1631.3677978515625	156.0
1633.4022216796875	232.0
1634.2711181640625	188.0
1638.3206787109375	164.0
1643.578369140625	160.0
1645.7001953125	164.0
1648.713134765625	168.0
1649.1981201171875	188.0
1651.4700927734375	176.0
1651.93115234375	140.0
1656.404541015625	172.0
1656.4366455078125	108.0
1657.2987060546875	172.0
1659.7384033203125	192.0
1660.7845458984375	160.0
1662.374755859375	164.0
1665.021240234375	172.0
1666.0933837890625	264.0
1666.223388671875	188.0
1666.6783447265625	172.0
1668.4176025390625	188.0
1671.2235107421875	144.0
1672.501220703125	156.0
1673.4617919921875	168.0
1681.1075439453125	168.0
1687.68310546875	200.0
1688.8607177734375	180.0
1689.1798095703125	252.0
1692.11767578125	148.0
1692.7890625	172.0
1692.96923828125	152.0
1694.402587890625	224.0
1696.9925537109375	156.0
1697.3614501953125	172.0
1702.64013671875	176.0
1705.784912109375	156.0
1706.5987548828125	176.0
1707.939208984375	140.0
1710.901611328125	196.0
1712.2108154296875	272.0
1713.948974609375	156.0
1716.0589599609375	188.0
1716.41357421875	148.0
1725.3387451171875	200.0
1727.513671875	160.0
1729.3175048828125	176.0
1730.153564453125	204.0
1731.3375244140625	192.0
1731.65234375	152.0
1735.522216796875	164.0
1737.288818359375	172.0
1747.6904296875	204.0
1748.08984375	192.0
1750.4539794921875	172.0
1754.6365966796875	140.0
1755.353759765625	176.0
1756.3795166015625	176.0
1756.6798095703125	180.0
1759.6590576171875	192.0
1761.5213623046875	196.0
1765.591796875	192.0
1766.712646484375	164.0
1767.5408935546875	196.0
1770.5880126953125	144.0
1772.2801513671875	152.0
1772.4644775390625	152.0
1773.1265869140625	144.0
1773.3109130859375	144.0
1773.654541015625	160.0
1777.5460205078125	200.0
1779.0399169921875	212.0
1780.274169921875	208.0
1780.375	168.0
1780.87890625	160.0
1782.983154296875	204.0
1783.080078125	148.0
1783.769287109375	188.0
1784.8370361328125	208.0
1786.2667236328125	160.0
1789.2037353515625	156.0
1789.2794189453125	196.0
1790.5677490234375	156.0
1792.2020263671875	152.0
1793.73583984375	188.0
1800.367431640625	144.0
1810.0244140625	152.0
1810.701904296875	176.0
1813.4300537109375	236.0
1814.8626708984375	164.0
1815.60888671875	176.0
1815.668212890625	208.0
1816.0499267578125	184.0
1816.9066162109375	200.0
1820.1488037109375	152.0
1824.362060546875	188.0
1826.293212890625	208.0
1826.556884765625	140.0
1827.7989501953125	160.0
1828.718017578125	168.0
1836.0108642578125	152.0
1839.0908203125	156.0
1839.9444580078125	168.0
1841.0943603515625	192.0
1842.062255859375	216.0
1842.147705078125	156.0
1844.0616455078125	144.0
1847.815673828125	148.0
1849.492919921875	160.0
1849.6298828125	140.0
1849.9637451171875	204.0
1850.177734375	164.0
1855.0435791015625	140.0
1855.1893310546875	156.0
1855.2835693359375	196.0
1857.63330078125	204.0
1858.7314453125	140.0
1860.02734375	164.0
1861.0574951171875	140.0
1862.142333984375	176.0
1863.0328369140625	216.0
1865.825927734375	144.0
1866.0064697265625	152.0
1869.765380859375	192.0
1872.959716796875	176.0
1878.3341064453125	252.0
1878.7279052734375	260.0
1878.9940185546875	208.0
1881.99755859375	192.0
1884.20849609375	176.0
1885.4442138671875	204.0
1888.6517333984375	160.0
1892.1304931640625	176.0
1892.831787109375	172.0
1894.36474609375	148.0
1896.3056640625	152.0
1898.5684814453125	152.0
1899.6787109375	140.0
1905.4429931640625	192.0
1905.5994873046875	212.0
1905.816650390625	176.0
1906.4857177734375	144.0
1906.5987548828125	176.0
1907.4244384765625	188.0
1909.458984375	172.0
1909.8590087890625	160.0
1910.8507080078125	216.0
1911.20751953125	188.0
1912.0689697265625	164.0
1913.9580078125	160.0
1915.6214599609375	144.0
1919.78759765625	180.0
1920.54638671875	172.0
1922.52685546875	144.0
1922.6314697265625	180.0
1925.2679443359375	148.0
1927.408203125	212.0
1928.544189453125	192.0
1928.7540283203125	176.0
1929.357177734375	152.0
1938.24951171875	156.0
1939.4541015625	244.0
1941.8875732421875	216.0
1942.4927978515625	208.0
1942.7384033203125	140.0
1944.4351806640625	192.0
1945.4852294921875	180.0
1948.910400390625	188.0
1949.8331298828125	176.0
1950.6593017578125	156.0
1951.52197265625	156.0
1951.86376953125	144.0
1953.147705078125	164.0
1953.5435791015625	152.0
1953.7987060546875	192.0
1957.6715087890625	148.0
1959.4771728515625	160.0
1962.0770263671875	148.0
1963.6466064453125	192.0
1964.0531005859375	140.0
1964.82861328125	180.0
1965.966796875	148.0
1967.502685546875	212.0
1968.8094482421875	192.0
1970.12548828125	184.0
1971.106201171875	152.0
1971.6099853515625	152.0
1974.1029052734375	156.0
1975.022705078125	152.0
1977.5	220.0
1977.9072265625	152.0
1978.17578125	156.0
1978.3321533203125	188.0
1981.6011962890625	152.0
1984.5780029296875	156.0
1985.30615234375	236.0
1986.80419921875	140.0
1987.0347900390625	164.0
1990.2388916015625	172.0
1992.414794921875	140.0
1993.9609375	152.0
1995.6588134765625	220.0
1997.419677734375	240.0
1997.7220458984375	200.0
1997.9827880859375	200.0
1999.4215087890625	168.0
1999.7152099609375	152.0
2001.549072265625	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079023
PEPMASS=275.154907
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ORMETOPRIM [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC
INCHI=InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)
INCHIAUX=KEEYRKYKLYARHO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079023
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079023
SCANS=1044
45.17856216430664	188.0
45.96590805053711	176.0
47.0736083984375	140.0
47.418357849121094	164.0
48.20417022705078	224.0
48.691810607910156	144.0
49.17213821411133	148.0
49.552490234375	184.0
57.46575927734375	156.0
59.37333297729492	176.0
60.867149353027344	140.0
60.957244873046875	160.0
61.546043395996094	180.0
61.56478500366211	144.0
61.625701904296875	192.0
62.73529052734375	144.0
64.423828125	164.0
64.57727813720703	156.0
68.0322265625	284.0
68.1800537109375	196.0
68.37246704101562	180.0
68.48113250732422	152.0
68.53054809570312	188.0
72.89323425292969	140.0
73.45848846435547	144.0
73.49601745605469	196.0
74.45292663574219	160.0
75.72225952148438	192.0
76.76824188232422	136.0
76.90280151367188	180.0
77.80780792236328	208.0
78.73400115966797	164.0
78.74636840820312	140.0
79.09822845458984	188.0
81.03583526611328	184.0
82.13784790039062	152.0
84.77784729003906	152.0
85.28990173339844	152.0
87.29960632324219	144.0
87.72411346435547	144.0
88.49382019042969	196.0
89.88851165771484	152.0
90.85155487060547	192.0
91.86550903320312	172.0
92.61673736572266	156.0
92.94264221191406	152.0
93.04436492919922	232.0
93.5692138671875	212.0
94.79960632324219	144.0
95.38379669189453	164.0
95.44212341308594	192.0
96.03608703613281	176.0
97.86841583251953	232.0
97.91764068603516	148.0
99.32888793945312	208.0
100.61842346191406	216.0
101.20623016357422	176.0
102.81437683105469	160.0
103.05467224121094	176.0
105.7757797241211	168.0
105.86585998535156	140.0
106.04225158691406	200.0
106.68657684326172	156.0
106.94988250732422	152.0
107.73759460449219	144.0
108.70035552978516	144.0
108.79024505615234	180.0
109.06483459472656	144.0
110.05714416503906	260.0
111.06727600097656	668.0
111.85628509521484	156.0
112.86473083496094	160.0
112.90279388427734	172.0
113.04452514648438	148.0
113.44694519042969	192.0
113.66964721679688	196.0
114.50297546386719	212.0
115.65377807617188	156.0
116.00507354736328	160.0
117.15907287597656	208.0
117.62486267089844	164.0
117.67019653320312	164.0
120.05695343017578	160.0
120.35164642333984	192.0
120.65752410888672	208.0
121.04479217529297	156.0
121.06343841552734	136.0
121.34058380126953	152.0
121.93325805664062	208.0
122.32256317138672	204.0
122.62873077392578	148.0
123.02903747558594	136.0
123.06765747070312	17396.0
123.21853637695312	160.0
123.3653793334961	104.0
123.74871063232422	148.0
124.00566864013672	212.0
124.07250213623047	1356.0
125.08111572265625	192.0
125.57534790039062	160.0
126.05084991455078	156.0
126.080810546875	164.0
127.42210388183594	140.0
127.4625473022461	256.0
128.0069122314453	196.0
128.05419921875	148.0
129.9666748046875	188.0
131.72422790527344	140.0
132.01678466796875	160.0
132.05198669433594	184.0
132.42872619628906	156.0
135.0179443359375	172.0
135.45306396484375	252.0
136.1326141357422	140.0
136.5579071044922	172.0
137.06582641601562	600.0
137.09803771972656	156.0
137.7668914794922	144.0
138.0613555908203	148.0
138.5935516357422	192.0
139.2621307373047	140.0
139.7769775390625	144.0
145.0879364013672	168.0
145.34217834472656	148.0
146.58773803710938	196.0
147.52662658691406	192.0
147.8265380859375	164.0
149.0603485107422	360.0
149.0912322998047	232.0
150.06497192382812	172.0
150.79595947265625	176.0
152.08181762695312	148.0
154.0665283203125	144.0
154.724365234375	148.0
155.11080932617188	156.0
155.15542602539062	188.0
155.53993225097656	208.0
155.92491149902344	176.0
156.5144805908203	152.0
157.9469757080078	156.0
158.0620574951172	232.0
159.06204223632812	168.0
159.92921447753906	144.0
160.70790100097656	176.0
161.068115234375	164.0
161.20533752441406	148.0
162.92828369140625	148.0
163.06295776367188	148.0
163.10107421875	160.0
165.09092712402344	800.0
166.94122314453125	164.0
166.99008178710938	180.0
167.06211853027344	156.0
167.76771545410156	140.0
167.91726684570312	144.0
168.09011840820312	172.0
169.07122802734375	132.0
169.1160888671875	156.0
169.1419677734375	152.0
170.0583038330078	240.0
170.9197235107422	172.0
171.0316162109375	192.0
171.07586669921875	176.0
171.70643615722656	140.0
171.9882049560547	184.0
172.0789794921875	524.0
172.79568481445312	164.0
173.0786895751953	136.0
174.06248474121094	200.0
174.08668518066406	316.0
174.1049041748047	128.0
174.74241638183594	148.0
176.0732421875	156.0
176.72914123535156	172.0
177.62193298339844	164.0
179.06251525878906	156.0
179.1184539794922	152.0
179.45956420898438	172.0
182.0712432861328	180.0
182.30227661132812	172.0
183.0904998779297	248.0
183.91281127929688	252.0
184.075439453125	404.0
184.3043975830078	156.0
184.99945068359375	156.0
185.05902099609375	192.0
185.08436584472656	368.0
186.05697631835938	304.0
186.09164428710938	116.0
187.00811767578125	164.0
187.09535217285156	804.0
187.84735107421875	180.0
188.06564331054688	156.0
188.1175079345703	152.0
188.9619598388672	144.0
189.1183624267578	384.0
189.15625	184.0
190.09083557128906	140.0
190.22256469726562	148.0
192.40835571289062	148.0
192.98025512695312	180.0
193.86880493164062	168.0
193.95437622070312	160.0
194.6316375732422	144.0
194.91217041015625	180.0
194.97886657714844	140.0
195.41543579101562	208.0
197.02687072753906	140.0
197.09043884277344	160.0
197.74830627441406	180.0
197.88546752929688	248.0
198.06190490722656	156.0
199.083740234375	372.0
199.9052276611328	176.0
200.0830078125	544.0
200.10910034179688	168.0
201.0734100341797	220.0
201.1132049560547	476.0
201.95465087890625	156.0
202.08460998535156	136.0
202.11585998535156	268.0
202.9373016357422	168.0
203.08346557617188	172.0
203.12509155273438	112.0
203.1641845703125	144.0
203.89959716796875	148.0
204.85562133789062	168.0
205.7425079345703	152.0
205.84814453125	168.0
206.48829650878906	188.0
207.4388885498047	164.0
208.1417999267578	152.0
210.1075897216797	152.0
211.08961486816406	144.0
212.07681274414062	456.0
213.11660766601562	512.0
213.43545532226562	168.0
214.09869384765625	428.0
215.09246826171875	840.0
215.12940979003906	508.0
215.2829132080078	140.0
215.4114227294922	144.0
215.4669189453125	212.0
216.01943969726562	156.0
216.09913635253906	504.0
216.12547302246094	132.0
217.1100616455078	2656.0
217.1588592529297	300.0
218.11270141601562	284.0
219.11953735351562	176.0
219.38182067871094	160.0
220.01336669921875	248.0
221.4591064453125	140.0
221.58055114746094	160.0
223.06138610839844	168.0
223.30223083496094	148.0
224.0791473388672	172.0
224.1029815673828	168.0
224.3712158203125	160.0
224.63662719726562	168.0
225.7237548828125	160.0
225.82843017578125	200.0
226.07972717285156	148.0
226.10067749023438	232.0
226.9124298095703	172.0
227.052734375	172.0
227.09251403808594	832.0
228.07545471191406	336.0
228.10122680664062	140.0
228.1989288330078	132.0
228.79612731933594	152.0
228.98281860351562	216.0
229.1072540283203	972.0
229.16842651367188	104.0
229.98683166503906	200.0
230.0857696533203	200.0
230.11557006835938	2072.0
230.23741149902344	164.0
230.69970703125	184.0
231.12515258789062	10456.0
231.1814727783203	224.0
231.86325073242188	116.0
232.12759399414062	1676.0
232.16212463378906	164.0
232.71438598632812	156.0
233.1368408203125	164.0
233.22169494628906	144.0
233.5439910888672	196.0
233.96656799316406	124.0
234.0156707763672	164.0
239.98423767089844	148.0
240.26979064941406	176.0
240.3173370361328	168.0
240.6259765625	172.0
241.1079559326172	712.0
241.74180603027344	180.0
242.09381103515625	1008.0
242.48814392089844	152.0
243.12298583984375	1056.0
243.78848266601562	176.0
244.0915069580078	216.0
244.1271209716797	292.0
244.88209533691406	184.0
244.94898986816406	160.0
245.1035919189453	5140.0
245.3759307861328	192.0
245.83131408691406	172.0
246.11099243164062	1100.0
246.57144165039062	192.0
246.6664581298828	120.0
247.10421752929688	156.0
247.21566772460938	172.0
247.60386657714844	172.0
248.11392211914062	164.0
248.17417907714844	140.0
248.26824951171875	148.0
250.63526916503906	144.0
250.70144653320312	148.0
251.95091247558594	144.0
252.8489227294922	164.0
252.95654296875	200.0
253.62806701660156	172.0
253.89755249023438	148.0
254.92611694335938	152.0
254.9515380859375	160.0
255.53660583496094	204.0
256.5170593261719	132.0
257.10528564453125	612.0
257.41400146484375	232.0
257.84539794921875	96.0
258.10089111328125	316.0
258.669189453125	156.0
258.7120666503906	168.0
258.9408264160156	128.0
259.0438232421875	188.0
259.1202087402344	80000.0
259.19830322265625	108.0
259.43475341796875	216.0
259.5829162597656	244.0
259.6242370605469	116.0
259.97308349609375	176.0
260.1239929199219	12524.0
260.4720153808594	140.0
260.6595153808594	104.0
260.77447509765625	128.0
261.0818786621094	180.0
261.124755859375	1368.0
261.5640869140625	184.0
261.61090087890625	140.0
261.7498779296875	124.0
262.0270690917969	224.0
262.052978515625	120.0
262.1376647949219	240.0
262.29058837890625	180.0
262.5114440917969	136.0
262.6214599609375	176.0
262.8775634765625	144.0
263.1448059082031	140.0
266.8779296875	156.0
267.44073486328125	184.0
268.9139404296875	176.0
269.4135437011719	148.0
269.51806640625	180.0
270.83013916015625	180.0
272.9320983886719	168.0
273.0486145019531	212.0
273.1358947753906	236.0
273.2986145019531	140.0
273.8615417480469	184.0
274.0723876953125	228.0
274.0938415527344	144.0
274.2195739746094	96.0
274.2799987792969	176.0
274.33209228515625	124.0
274.3741760253906	168.0
274.4171447753906	172.0
274.5008850097656	156.0
274.5309753417969	100.0
274.6328125	160.0
274.6723937988281	324.0
274.80377197265625	160.0
274.8736267089844	152.0
274.91290283203125	404.0
274.9943542480469	200.0
275.051025390625	240.0
275.08447265625	140.0
275.152099609375	172596.0
275.2199401855469	208.0
275.28271484375	188.0
275.3440856933594	292.0
275.4010925292969	148.0
275.4582214355469	112.0
275.4879455566406	184.0
275.5170593261719	236.0
275.5486145019531	176.0
275.6029357910156	168.0
275.65936279296875	220.0
275.69415283203125	1060.0
275.72674560546875	200.0
275.77197265625	212.0
275.9032287597656	128.0
276.0322265625	176.0
276.09686279296875	636.0
276.1537780761719	24184.0
276.2147521972656	180.0
276.3671569824219	176.0
276.4577331542969	116.0
276.6661376953125	152.0
276.7235412597656	164.0
276.7824401855469	128.0
277.0168762207031	104.0
277.05499267578125	116.0
277.08642578125	144.0
277.1559143066406	2252.0
277.31005859375	136.0
277.7140808105469	152.0
277.8945617675781	140.0
277.97283935546875	136.0
278.0072937011719	124.0
278.0403747558594	96.0
278.08990478515625	200.0
278.15460205078125	528.0
278.3043212890625	96.0
278.6648254394531	144.0
278.92169189453125	204.0
278.97454833984375	124.0
279.1235046386719	168.0
279.2798156738281	148.0
279.34564208984375	152.0
280.1984558105469	120.0
284.765380859375	136.0
288.29248046875	96.0
288.6502380371094	164.0
1268.9442138671875	160.0
1391.8433837890625	172.0
1493.335205078125	176.0
1497.614501953125	204.0
1691.125244140625	172.0
1721.090087890625	180.0
1781.154052734375	240.0
1804.02392578125	148.0
1825.08349609375	156.0
1834.900390625	172.0
1841.1207275390625	172.0
1883.1007080078125	180.0
1904.94580078125	192.0
1907.9959716796875	168.0
1911.153076171875	152.0
1925.5802001953125	148.0
1975.4007568359375	232.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079024
PEPMASS=364.116577
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_E2_F11_BC6_01_15720.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=rufloxacin monohydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCN(CC1)c2c(F)cc3c(=O)c(cn4CCSc2c43)C(=O)O
INCHI=InChI=1S/C17H18FN3O3S/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24/h8-9H,2-7H2,1H3,(H,23,24)
INCHIAUX=NJCJBUHJQLFDSW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079024
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079024
SCANS=988
58.5206298828125	152.0
117.07500457763672	172.0
132.98580932617188	140.0
154.05691528320312	144.0
164.7650146484375	176.0
166.0525665283203	172.0
184.07199096679688	180.0
187.0361328125	120.0
200.86988830566406	160.0
202.0535430908203	144.0
203.59266662597656	144.0
206.9403076171875	208.0
207.04052734375	144.0
213.4556884765625	148.0
215.0244903564453	184.0
216.03550720214844	104.0
217.69580078125	160.0
226.7054901123047	176.0
234.02772521972656	292.0
235.0326385498047	212.0
236.02932739257812	148.0
249.05189514160156	120.0
256.0521545410156	184.0
262.0680847167969	168.0
263.0632629394531	1272.0
264.0679016113281	104.0
265.06011962890625	284.0
265.08258056640625	164.0
266.05908203125	180.0
266.1564636230469	156.0
272.09332275390625	148.0
275.0574951171875	116.0
285.03656005859375	216.0
289.04583740234375	172.0
291.91558837890625	180.0
300.91705322265625	144.0
303.08740234375	168.0
316.5548400878906	180.0
318.1076354980469	144.0
320.1209411621094	1372.0
320.9111328125	192.0
321.12261962890625	320.0
322.1172180175781	320.0
338.9343566894531	160.0
339.0955810546875	224.0
341.220947265625	176.0
362.1539001464844	196.0
363.25311279296875	176.0
364.11126708984375	2448.0
365.1158447265625	800.0
365.1750793457031	156.0
366.1113586425781	128.0
367.1211853027344	192.0
401.0438537597656	172.0
443.8099670410156	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079025
PEPMASS=313.220673
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_G2_H11_BC7_01_15721.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]2CC[C@@]1(O)C#C
INCHI=InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
INCHIAUX=WWYNJERNGUHSAO-XUDSTZEESA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079025
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079025
SCANS=1693
46.42032241821289	236.0
46.80351638793945	140.0
49.20134353637695	168.0
53.021202087402344	168.0
54.68327713012695	188.0
54.8880500793457	152.0
57.59075164794922	168.0
59.9697380065918	140.0
60.789405822753906	156.0
61.56309127807617	316.0
61.81633377075195	236.0
62.574462890625	144.0
63.2469596862793	156.0
63.38632583618164	192.0
66.64547729492188	168.0
66.96757507324219	152.0
69.81492614746094	168.0
69.95635223388672	140.0
71.26083374023438	168.0
73.05460357666016	148.0
73.45491790771484	156.0
75.3951187133789	168.0
75.763671875	172.0
76.35730743408203	160.0
76.49824523925781	152.0
78.04659271240234	280.0
80.11202239990234	284.0
81.1378173828125	176.0
84.53777313232422	192.0
86.33695220947266	164.0
87.0244140625	164.0
87.1042709350586	224.0
89.3682632446289	148.0
91.0577163696289	364.0
91.43279266357422	168.0
92.30841064453125	176.0
93.0775146484375	216.0
95.04761505126953	160.0
95.08499145507812	432.0
95.53137969970703	180.0
96.92342376708984	156.0
99.07889556884766	176.0
99.26124572753906	188.0
100.08386993408203	156.0
100.31298065185547	164.0
101.44843292236328	188.0
102.59228515625	164.0
103.037353515625	144.0
103.053466796875	172.0
104.05903625488281	160.0
105.06963348388672	1212.0
105.37472534179688	196.0
106.07598114013672	120.0
107.0499267578125	684.0
107.08573913574219	672.0
107.33185577392578	156.0
107.58866882324219	192.0
108.05366516113281	148.0
108.0888442993164	152.0
109.06475067138672	3040.0
109.1012954711914	1068.0
110.06787872314453	332.0
111.0739974975586	136.0
112.06243133544922	152.0
112.34915161132812	152.0
112.4736557006836	172.0
113.04640197753906	192.0
115.05260467529297	368.0
115.82911682128906	156.0
116.0618667602539	284.0
117.06869506835938	676.0
117.63755798339844	188.0
118.0772933959961	228.0
119.08485412597656	1100.0
119.12307739257812	216.0
120.08927917480469	140.0
121.06336975097656	464.0
121.1005859375	572.0
121.70893096923828	232.0
122.58660125732422	180.0
123.07991790771484	992.0
123.11798858642578	296.0
123.50502014160156	152.0
124.08641815185547	188.0
125.09944152832031	320.0
125.78704833984375	168.0
126.6680679321289	140.0
126.98859405517578	148.0
128.0621795654297	432.0
129.06930541992188	576.0
129.46316528320312	232.0
130.07467651367188	276.0
130.65025329589844	144.0
131.0441131591797	152.0
131.08511352539062	2936.0
131.36557006835938	176.0
131.760498046875	164.0
132.053466796875	124.0
132.08819580078125	232.0
132.1789093017578	148.0
132.73095703125	228.0
133.06475830078125	368.0
133.10009765625	1760.0
133.25196838378906	148.0
134.10748291015625	192.0
134.4101104736328	140.0
135.08006286621094	1688.0
135.11602783203125	348.0
136.0797576904297	152.0
136.1181182861328	316.0
137.09738159179688	636.0
137.1323699951172	304.0
137.36587524414062	140.0
137.83279418945312	148.0
138.70843505859375	136.0
139.11390686035156	168.0
139.53677368164062	236.0
141.0677490234375	692.0
142.03762817382812	220.0
142.0767059326172	400.0
142.14439392089844	164.0
143.08590698242188	768.0
143.1332244873047	184.0
143.1856231689453	152.0
144.095947265625	132.0
145.06735229492188	160.0
145.10076904296875	1640.0
146.06739807128906	140.0
146.10104370117188	156.0
146.34202575683594	172.0
147.0795135498047	228.0
147.11636352539062	488.0
147.1458740234375	116.0
148.12071228027344	100.0
148.8273162841797	184.0
149.09732055664062	1120.0
149.1344757080078	256.0
150.09683227539062	224.0
151.10977172851562	268.0
151.4586944580078	144.0
152.11256408691406	164.0
153.0718536376953	156.0
154.07298278808594	416.0
154.19715881347656	168.0
155.0838165283203	656.0
155.29148864746094	180.0
156.09173583984375	292.0
156.72337341308594	164.0
157.0630645751953	400.0
157.1007537841797	2236.0
157.52670288085938	180.0
158.10362243652344	344.0
158.8960723876953	168.0
159.0783233642578	1172.0
159.11813354492188	1368.0
160.07896423339844	168.0
160.1190948486328	528.0
160.91705322265625	220.0
161.0950164794922	1432.0
161.13302612304688	280.0
162.0990753173828	252.0
162.13270568847656	140.0
162.9584197998047	160.0
163.11355590820312	892.0
164.0425567626953	168.0
164.12014770507812	156.0
165.08425903320312	152.0
166.07301330566406	292.0
167.08563232421875	604.0
168.09141540527344	292.0
169.10031127929688	704.0
170.10916137695312	336.0
171.1158447265625	1436.0
172.12149047851562	164.0
172.5259552001953	168.0
173.01515197753906	156.0
173.03587341308594	140.0
173.09564208984375	508.0
173.13108825683594	1060.0
175.11183166503906	956.0
175.14898681640625	420.0
176.11434936523438	324.0
176.46163940429688	160.0
176.52774047851562	236.0
177.12411499023438	416.0
177.15235900878906	168.0
178.0818634033203	132.0
179.08706665039062	364.0
180.093505859375	164.0
181.100341796875	488.0
181.1214141845703	184.0
182.07415771484375	160.0
182.1103515625	684.0
182.6567840576172	216.0
183.079345703125	144.0
183.11549377441406	1436.0
184.0884246826172	124.0
184.11537170410156	208.0
184.76632690429688	172.0
185.09706115722656	476.0
185.1331329345703	1512.0
185.19943237304688	160.0
186.1006317138672	312.0
186.13543701171875	528.0
186.7737274169922	208.0
187.11387634277344	372.0
187.14649963378906	1564.0
187.40802001953125	184.0
188.12232971191406	416.0
188.14349365234375	128.0
189.12632751464844	1152.0
190.13525390625	272.0
190.70559692382812	212.0
191.08506774902344	200.0
191.14552307128906	368.0
192.09349060058594	156.0
193.09957885742188	444.0
194.11277770996094	352.0
195.11639404296875	448.0
195.69740295410156	104.0
196.13034057617188	192.0
197.09422302246094	296.0
197.132568359375	908.0
198.13612365722656	148.0
199.113037109375	272.0
199.1471405029297	1456.0
200.11358642578125	368.0
200.15359497070312	176.0
201.12396240234375	588.0
201.16732788085938	284.0
201.4397735595703	212.0
202.1370086669922	212.0
202.1692352294922	152.0
202.49197387695312	148.0
203.13912963867188	284.0
203.17697143554688	248.0
204.09103393554688	148.0
205.1010284423828	188.0
205.123046875	220.0
205.1561279296875	140.0
206.1019287109375	356.0
207.11952209472656	648.0
207.17767333984375	184.0
208.12857055664062	212.0
208.1614532470703	156.0
209.13389587402344	544.0
210.5054473876953	168.0
211.1126708984375	444.0
211.15078735351562	140.0
211.223388671875	156.0
211.78952026367188	168.0
211.94595336914062	180.0
212.14883422851562	196.0
213.12709045410156	576.0
213.162353515625	580.0
214.14186096191406	120.0
215.13999938964844	280.0
215.16925048828125	312.0
216.150634765625	152.0
217.15647888183594	152.0
217.89224243164062	148.0
218.1671600341797	176.0
219.11611938476562	160.0
219.36956787109375	176.0
220.1219024658203	268.0
220.34933471679688	224.0
220.80751037597656	208.0
220.99090576171875	152.0
221.12948608398438	728.0
222.13526916503906	112.0
223.1142120361328	120.0
223.14772033691406	336.0
223.48023986816406	144.0
225.1240997314453	432.0
225.16201782226562	476.0
226.1367950439453	192.0
226.1694793701172	136.0
227.14173889160156	304.0
227.1776885986328	676.0
227.21409606933594	220.0
228.1488494873047	188.0
228.1817169189453	252.0
228.67523193359375	172.0
229.16014099121094	180.0
229.1873016357422	184.0
231.23458862304688	164.0
232.89608764648438	156.0
233.13087463378906	316.0
233.18988037109375	148.0
234.19180297851562	148.0
235.1475067138672	828.0
235.91583251953125	160.0
236.15103149414062	252.0
237.03294372558594	152.0
237.12571716308594	304.0
237.1627960205078	1272.0
238.165283203125	460.0
238.89349365234375	176.0
239.14353942871094	196.0
239.1772003173828	604.0
240.14743041992188	316.0
240.18190002441406	200.0
241.1591033935547	376.0
241.19212341308594	128.0
241.936279296875	192.0
242.15704345703125	176.0
242.593017578125	236.0
242.72633361816406	156.0
243.1271514892578	192.0
243.17123413085938	524.0
244.18019104003906	144.0
244.59913635253906	108.0
245.19020080566406	6040.0
245.39410400390625	140.0
246.19544982910156	1188.0
247.1416778564453	156.0
247.2005615234375	176.0
247.2307891845703	172.0
248.16067504882812	244.0
248.59083557128906	168.0
249.16517639160156	380.0
249.90110778808594	144.0
250.16990661621094	156.0
251.13856506347656	156.0
251.17587280273438	168.0
252.00869750976562	104.0
252.1462860107422	280.0
252.18211364746094	132.0
253.0794677734375	224.0
253.1606903076172	656.0
253.19895935058594	244.0
254.14126586914062	140.0
254.18109130859375	152.0
254.41102600097656	164.0
255.0018310546875	212.0
255.17630004882812	344.0
256.17413330078125	160.0
257.16925048828125	152.0
257.1927490234375	212.0
260.8222351074219	168.0
262.3287048339844	156.0
266.16241455078125	180.0
266.9669189453125	168.0
267.1746826171875	832.0
267.21319580078125	400.0
268.178466796875	200.0
269.189208984375	288.0
271.1961669921875	148.0
272.8507385253906	160.0
273.3802795410156	152.0
274.4442443847656	192.0
275.1238708496094	148.0
275.93328857421875	180.0
276.1813049316406	164.0
277.19598388671875	1548.0
278.1976623535156	648.0
279.4621887207031	144.0
279.5520324707031	176.0
279.5753173828125	184.0
280.2379455566406	216.0
282.9197692871094	148.0
285.0831604003906	172.0
285.2152404785156	184.0
286.2236328125	148.0
286.8905944824219	148.0
290.46490478515625	144.0
291.4596252441406	140.0
292.0613708496094	148.0
293.1861572265625	224.0
295.2060241699219	5808.0
295.67108154296875	140.0
296.2077941894531	1372.0
296.3024597167969	132.0
297.2164306640625	272.0
299.44415283203125	152.0
300.7232666015625	180.0
300.90966796875	140.0
302.78729248046875	160.0
303.1198425292969	164.0
311.1596374511719	264.0
311.21197509765625	140.0
311.86492919921875	128.0
312.1258544921875	152.0
312.1667175292969	200.0
312.19390869140625	124.0
312.382568359375	156.0
312.5736083984375	108.0
312.736328125	136.0
312.7715759277344	132.0
312.8294982910156	164.0
312.9844055175781	180.0
313.11065673828125	188.0
313.1567077636719	384.0
313.21710205078125	111536.0
313.31005859375	128.0
313.3902893066406	136.0
313.4681396484375	136.0
313.5252685546875	132.0
313.58477783203125	196.0
313.65545654296875	124.0
313.72637939453125	216.0
313.79656982421875	548.0
313.8388366699219	96.0
313.87579345703125	100.0
313.91552734375	96.0
314.0046081542969	232.0
314.0663146972656	160.0
314.21978759765625	24696.0
314.44781494140625	156.0
314.651123046875	140.0
314.80145263671875	108.0
315.0435485839844	144.0
315.14459228515625	228.0
315.2214660644531	2948.0
315.5538330078125	124.0
316.17730712890625	96.0
316.2216796875	484.0
316.29095458984375	132.0
316.4125671386719	104.0
316.4889221191406	180.0
316.5796203613281	132.0
317.14068603515625	188.0
319.2890930175781	108.0
323.2837219238281	96.0
325.9898376464844	140.0
328.2811584472656	124.0
329.5245666503906	152.0
354.2436828613281	180.0
363.051513671875	176.0
448.00360107421875	160.0
1205.6033935546875	224.0
1308.5374755859375	156.0
1464.7359619140625	148.0
1477.8284912109375	184.0
1492.01708984375	228.0
1511.182373046875	184.0
1533.9525146484375	208.0
1538.8516845703125	144.0
1546.3951416015625	152.0
1565.291259765625	156.0
1593.8863525390625	180.0
1600.5201416015625	152.0
1615.3404541015625	184.0
1631.4910888671875	180.0
1632.8660888671875	200.0
1701.3023681640625	148.0
1719.3447265625	228.0
1742.662841796875	208.0
1808.071533203125	148.0
1834.3848876953125	244.0
1839.0677490234375	140.0
1855.063232421875	236.0
1864.203857421875	160.0
1879.56591796875	216.0
1958.3873291015625	256.0
1977.8919677734375	152.0
1980.751953125	164.0
1984.5538330078125	140.0
1989.477783203125	220.0
1998.73876953125	276.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079026
PEPMASS=558.141724
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=36.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_G2_H11_BC7_01_15721.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=CEFPODOXIME PROXETIL [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(=NOC)c3csc(N)n3)C2=O)C(=O)OC(C)OC(=O)OC(C)C
INCHI=InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/t10?,14-,18-/m1/s1
INCHIAUX=LTINZAODLRIQIX-OBEQYXGQSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079026
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079026
SCANS=1319
45.25620651245117	164.0
45.50464630126953	340.0
45.8526496887207	184.0
46.476497650146484	108.0
46.508628845214844	152.0
47.263633728027344	168.0
47.28861618041992	156.0
47.412899017333984	164.0
47.447166442871094	152.0
47.72175598144531	144.0
48.09218978881836	204.0
48.55443572998047	200.0
48.81412887573242	196.0
49.07172393798828	156.0
49.2950553894043	224.0
49.39432144165039	164.0
49.9019889831543	160.0
50.51263427734375	140.0
51.04586410522461	128.0
51.24803161621094	232.0
51.550540924072266	164.0
52.22292709350586	200.0
52.23542404174805	128.0
52.52973556518555	196.0
52.575904846191406	164.0
52.85480499267578	172.0
52.875064849853516	184.0
54.326358795166016	152.0
54.783546447753906	144.0
54.910308837890625	160.0
55.208282470703125	180.0
55.3597297668457	156.0
55.41883087158203	168.0
55.64240264892578	200.0
55.65911865234375	156.0
55.97286605834961	180.0
56.147220611572266	140.0
56.57755661010742	176.0
56.758846282958984	208.0
56.89838409423828	204.0
56.956947326660156	184.0
57.19001007080078	152.0
57.22764587402344	156.0
57.41449737548828	172.0
58.09211349487305	164.0
58.49785232543945	180.0
58.53591537475586	160.0
58.5831298828125	156.0
58.686763763427734	144.0
58.865081787109375	144.0
59.14966583251953	144.0
59.74507522583008	160.0
59.9883918762207	148.0
60.05006790161133	192.0
60.51055908203125	144.0
60.5523681640625	156.0
60.736812591552734	240.0
61.22795486450195	176.0
61.610107421875	168.0
62.085941314697266	140.0
62.318180084228516	160.0
62.790504455566406	140.0
62.89463806152344	152.0
63.058902740478516	184.0
63.361324310302734	136.0
63.58069610595703	156.0
63.66013717651367	168.0
63.7403450012207	248.0
63.819820404052734	176.0
63.88502883911133	152.0
64.2131576538086	180.0
64.64129638671875	164.0
64.71012878417969	216.0
65.25209045410156	100.0
65.54695892333984	176.0
65.73562622070312	148.0
65.86155700683594	208.0
66.12995910644531	160.0
66.15585327148438	296.0
66.3989028930664	180.0
66.439453125	168.0
66.66189575195312	148.0
67.56192016601562	176.0
67.79442596435547	220.0
67.91082763671875	168.0
68.739990234375	200.0
69.73863220214844	156.0
69.75857543945312	160.0
69.81843566894531	140.0
70.07977294921875	144.0
70.38668060302734	156.0
70.70262908935547	172.0
70.78131103515625	160.0
70.79302978515625	152.0
70.8550033569336	160.0
71.29798126220703	152.0
72.13567352294922	152.0
72.16779327392578	204.0
72.74381256103516	148.0
72.81111145019531	176.0
73.0462875366211	180.0
73.25907135009766	148.0
73.27269744873047	144.0
73.99513244628906	160.0
74.23672485351562	148.0
74.76239776611328	320.0
75.04317474365234	192.0
75.29338073730469	144.0
75.49903869628906	160.0
75.6611328125	176.0
75.75431060791016	148.0
76.29142761230469	140.0
76.89585876464844	232.0
77.8412094116211	180.0
78.04327392578125	196.0
78.08196258544922	172.0
78.15232849121094	212.0
78.25264739990234	176.0
78.8895263671875	144.0
78.94964599609375	176.0
79.02747344970703	164.0
79.115966796875	180.0
79.2718276977539	152.0
79.72029876708984	100.0
80.37074279785156	172.0
80.55463409423828	176.0
80.79059600830078	172.0
80.8406982421875	168.0
81.99724578857422	184.0
82.25697326660156	164.0
82.33100128173828	196.0
82.46830749511719	168.0
82.96066284179688	140.0
83.0168685913086	200.0
83.46175384521484	184.0
84.0701675415039	208.0
84.11762237548828	188.0
84.31122589111328	248.0
84.50871276855469	220.0
84.52335357666016	152.0
85.1466293334961	148.0
85.17601776123047	184.0
85.32302856445312	228.0
85.56404113769531	144.0
85.68559265136719	144.0
85.72244262695312	160.0
85.8578872680664	228.0
85.90312194824219	156.0
85.95293426513672	200.0
85.97877502441406	140.0
86.10061645507812	176.0
86.45556640625	148.0
86.60368347167969	212.0
86.61849975585938	172.0
87.10078430175781	140.0
87.1397933959961	164.0
87.1620864868164	176.0
87.38520812988281	164.0
87.42056274414062	148.0
87.4577865600586	200.0
88.32356262207031	168.0
88.64215087890625	116.0
88.7843017578125	180.0
89.05455780029297	140.0
89.58500671386719	148.0
89.82251739501953	156.0
90.63545989990234	152.0
90.6828384399414	164.0
90.80796813964844	180.0
91.06229400634766	216.0
91.20289611816406	140.0
91.28083801269531	168.0
91.44064331054688	160.0
91.72381591796875	132.0
92.52677154541016	188.0
93.22367858886719	180.0
93.44059753417969	160.0
94.05118560791016	208.0
94.07368469238281	128.0
94.11918640136719	160.0
94.27908325195312	188.0
94.4679946899414	176.0
94.72796630859375	140.0
95.0061264038086	220.0
95.060791015625	184.0
95.15654754638672	160.0
95.35274505615234	144.0
95.45966339111328	204.0
95.77494812011719	144.0
95.99127197265625	152.0
96.04003143310547	168.0
96.0536880493164	172.0
97.0104751586914	556.0
97.12364196777344	148.0
97.35719299316406	212.0
98.00436401367188	160.0
98.06466674804688	140.0
99.00155639648438	132.0
99.10094451904297	200.0
99.98553466796875	272.0
100.01207733154297	124.0
100.71431732177734	188.0
100.82420349121094	188.0
100.9457015991211	144.0
100.99581146240234	168.0
101.02815246582031	148.0
101.47876739501953	160.0
101.60511779785156	148.0
101.7897720336914	144.0
101.966552734375	252.0
102.0029067993164	156.0
102.12739562988281	160.0
102.56785583496094	144.0
102.61875915527344	172.0
102.72161102294922	212.0
102.9920883178711	160.0
103.00824737548828	184.0
103.4632568359375	252.0
103.98419189453125	140.0
104.13646697998047	164.0
104.70185852050781	220.0
104.75074005126953	140.0
104.99940490722656	156.0
105.0467529296875	1404.0
105.2156982421875	144.0
105.46695709228516	168.0
106.02857208251953	320.0
107.04257202148438	204.0
107.05847930908203	408.0
107.51464080810547	224.0
107.5394058227539	152.0
107.75003814697266	140.0
108.06607818603516	452.0
108.184326171875	224.0
108.81436157226562	208.0
109.0787124633789	272.0
109.54451751708984	208.0
109.63410949707031	156.0
109.69038391113281	148.0
109.81131744384766	172.0
110.00643920898438	1360.0
110.06491088867188	272.0
110.38980102539062	292.0
110.49647521972656	144.0
110.60924530029297	216.0
110.64506530761719	168.0
110.68275451660156	200.0
110.91738891601562	160.0
111.01255798339844	112.0
111.48196411132812	144.0
111.62490844726562	144.0
111.66907501220703	156.0
111.69801330566406	116.0
112.02194213867188	2624.0
112.04041290283203	1404.0
112.1954345703125	132.0
112.3009262084961	144.0
112.3536605834961	164.0
112.53727722167969	196.0
112.83306121826172	288.0
112.88592529296875	148.0
113.01799774169922	140.0
113.04229736328125	156.0
113.20545959472656	152.0
113.53180694580078	236.0
113.72838592529297	228.0
113.74610137939453	184.0
113.816162109375	152.0
114.00052642822266	1060.0
114.11361694335938	172.0
114.25611114501953	164.0
114.27100372314453	180.0
114.55718994140625	144.0
114.77579498291016	144.0
114.86963653564453	140.0
115.01667022705078	340.0
115.19229125976562	132.0
115.21973419189453	176.0
115.51902770996094	172.0
115.60460662841797	168.0
116.14021301269531	148.0
116.29684448242188	196.0
116.34407043457031	148.0
116.4299545288086	172.0
116.49009704589844	176.0
116.89859771728516	140.0
116.96961975097656	160.0
116.99545288085938	168.0
117.65729522705078	148.0
117.70911407470703	192.0
117.98567199707031	160.0
118.03150939941406	160.0
118.05269622802734	164.0
118.43143463134766	172.0
118.51375579833984	164.0
119.06401824951172	168.0
119.20594787597656	176.0
119.5051498413086	152.0
119.61917877197266	196.0
119.95580291748047	248.0
120.06566619873047	320.0
120.1072769165039	176.0
121.04075622558594	600.0
121.07160186767578	184.0
121.21475219726562	160.0
121.23761749267578	152.0
121.34502410888672	152.0
121.371337890625	156.0
121.72461700439453	168.0
121.84321594238281	196.0
121.93111419677734	204.0
122.00418090820312	576.0
122.06071472167969	176.0
122.08499908447266	160.0
122.13998413085938	148.0
122.61261749267578	272.0
123.01176452636719	400.0
123.05812072753906	360.0
123.60710144042969	200.0
123.866455078125	112.0
124.02166748046875	900.0
124.74691772460938	152.0
124.78266143798828	220.0
124.83602142333984	148.0
124.89830017089844	148.0
125.00495910644531	18940.0
125.07344818115234	156.0
125.17218017578125	124.0
125.22415924072266	148.0
125.30345153808594	284.0
125.4594497680664	172.0
125.4862060546875	168.0
125.54120635986328	104.0
125.57093811035156	156.0
125.73603820800781	232.0
125.78067779541016	180.0
125.94144439697266	160.0
125.9704818725586	232.0
126.0126724243164	19244.0
126.0340576171875	396.0
126.21753692626953	96.0
126.2375259399414	116.0
126.31024932861328	160.0
126.46463775634766	156.0
126.65852355957031	156.0
126.81722259521484	124.0
127.01876068115234	2024.0
127.05397033691406	152.0
127.98062896728516	252.0
128.0088653564453	888.0
128.2457733154297	152.0
129.0074462890625	148.0
129.0315704345703	176.0
129.22808837890625	172.0
129.393310546875	148.0
129.7852783203125	160.0
130.00531005859375	168.0
130.0469512939453	216.0
130.8895721435547	152.0
130.97496032714844	292.0
131.02127075195312	160.0
131.97567749023438	172.0
132.01913452148438	176.0
132.2067108154297	192.0
132.4539794921875	144.0
133.04115295410156	580.0
133.08006286621094	168.0
133.7030029296875	168.0
133.73062133789062	156.0
134.04835510253906	568.0
134.546630859375	156.0
135.00411987304688	268.0
135.0541229248047	340.0
135.1128387451172	148.0
135.33270263671875	180.0
135.4600830078125	148.0
135.62535095214844	160.0
135.9051971435547	200.0
135.99842834472656	444.0
136.05838012695312	144.0
136.16055297851562	228.0
136.5858917236328	156.0
136.89076232910156	208.0
137.0182647705078	2984.0
137.08226013183594	176.0
137.1237335205078	176.0
137.47821044921875	200.0
137.75283813476562	116.0
137.83316040039062	152.0
137.9429931640625	208.0
137.97105407714844	168.0
138.01675415039062	2196.0
138.05789184570312	256.0
138.6615753173828	144.0
139.0132598876953	676.0
139.03207397460938	3128.0
139.12005615234375	120.0
139.5300750732422	148.0
139.7464599609375	172.0
139.7864532470703	240.0
139.96878051757812	132.0
140.01687622070312	5216.0
140.0689697265625	152.0
140.5199737548828	168.0
140.97044372558594	216.0
140.99993896484375	6840.0
141.04754638671875	648.0
141.07159423828125	176.0
141.10655212402344	136.0
141.17825317382812	152.0
141.9312744140625	156.0
142.0054473876953	580.0
142.0326385498047	1176.0
142.09048461914062	188.0
142.3916473388672	172.0
142.8000030517578	156.0
142.9715118408203	392.0
142.99765014648438	836.0
143.02093505859375	172.0
143.1859893798828	156.0
143.32891845703125	196.0
143.5757598876953	116.0
143.97776794433594	144.0
144.0190887451172	324.0
144.04632568359375	156.0
144.0670623779297	568.0
144.13772583007812	108.0
144.52517700195312	228.0
144.77651977539062	184.0
145.00302124023438	140.0
145.0682830810547	156.0
145.28225708007812	192.0
145.4838409423828	144.0
145.62791442871094	140.0
145.88021850585938	160.0
146.0701141357422	288.0
146.63250732421875	116.0
146.6818084716797	204.0
146.74085998535156	128.0
146.9374237060547	140.0
147.00498962402344	140.0
147.05807495117188	188.0
147.1956787109375	140.0
147.2898712158203	140.0
147.42276000976562	184.0
147.54360961914062	148.0
147.8193359375	216.0
148.00572204589844	188.0
148.31097412109375	144.0
148.628662109375	160.0
148.9930877685547	276.0
149.01797485351562	416.0
149.1715087890625	116.0
149.61785888671875	148.0
149.64706420898438	172.0
149.70550537109375	244.0
150.0001220703125	2300.0
150.05499267578125	144.0
150.4540557861328	144.0
151.0072784423828	572.0
151.04505920410156	332.0
151.12860107421875	208.0
151.37799072265625	172.0
151.87448120117188	212.0
151.99258422851562	536.0
152.01661682128906	4364.0
152.13027954101562	144.0
152.5313720703125	168.0
152.61988830566406	160.0
152.8584747314453	168.0
153.02096557617188	1092.0
153.04957580566406	456.0
153.18988037109375	112.0
153.9184112548828	164.0
154.01055908203125	576.0
154.03131103515625	1248.0
154.7516632080078	148.0
154.77642822265625	156.0
154.8209991455078	156.0
154.97567749023438	144.0
155.0176544189453	516.0
155.0786590576172	140.0
155.1108856201172	152.0
155.1480712890625	164.0
155.2621307373047	140.0
155.4035186767578	144.0
155.9423828125	164.0
155.96075439453125	176.0
156.0207977294922	26216.0
156.07550048828125	144.0
156.44566345214844	144.0
156.56185913085938	184.0
156.98170471191406	344.0
157.02105712890625	1696.0
157.0568389892578	148.0
157.2724151611328	160.0
157.31983947753906	152.0
157.6573944091797	112.0
157.9827423095703	232.0
158.02182006835938	944.0
158.07318115234375	176.0
158.1131591796875	124.0
158.14389038085938	104.0
158.22732543945312	140.0
158.37255859375	144.0
158.48529052734375	196.0
158.93153381347656	152.0
159.0143585205078	152.0
159.3282928466797	140.0
159.78334045410156	168.0
159.81924438476562	192.0
160.07998657226562	116.0
160.43307495117188	168.0
160.5582733154297	160.0
160.73573303222656	160.0
161.01869201660156	140.0
161.03733825683594	304.0
161.07933044433594	168.0
161.34109497070312	200.0
161.5048065185547	104.0
161.7365264892578	264.0
161.9625244140625	204.0
162.0150604248047	280.0
162.0350799560547	120.0
162.25582885742188	216.0
162.7378692626953	148.0
163.0247344970703	184.0
163.0523223876953	132.0
163.39613342285156	156.0
163.58445739746094	164.0
164.00474548339844	140.0
164.0274200439453	192.0
164.05477905273438	296.0
164.88792419433594	116.0
164.96868896484375	208.0
165.01341247558594	12304.0
165.06687927246094	1040.0
165.12698364257812	96.0
165.2262420654297	128.0
165.8860626220703	164.0
166.0305633544922	10092.0
166.0732421875	168.0
166.21792602539062	140.0
166.48269653320312	132.0
167.02806091308594	11260.0
167.1470947265625	148.0
167.9664306640625	144.0
168.01974487304688	1040.0
168.31805419921875	236.0
168.83416748046875	148.0
169.0242919921875	816.0
169.6653289794922	144.0
169.70372009277344	152.0
169.97496032714844	176.0
170.0270538330078	8684.0
170.12086486816406	144.0
170.26211547851562	156.0
170.49290466308594	172.0
170.58169555664062	180.0
170.8651580810547	152.0
170.89637756347656	160.0
171.03057861328125	1096.0
171.06500244140625	432.0
171.17648315429688	156.0
171.5813446044922	148.0
172.0020751953125	100.0
172.04266357421875	6248.0
172.07371520996094	184.0
172.11044311523438	168.0
172.13449096679688	184.0
172.17105102539062	176.0
172.33712768554688	104.0
172.45843505859375	148.0
172.4981231689453	108.0
172.74867248535156	140.0
172.9423065185547	160.0
173.04644775390625	392.0
173.09677124023438	220.0
173.8622283935547	148.0
173.99871826171875	148.0
174.03521728515625	464.0
174.07301330566406	192.0
174.43678283691406	128.0
174.46897888183594	140.0
174.66357421875	148.0
175.0247039794922	196.0
175.60650634765625	160.0
176.0251922607422	296.0
176.07582092285156	176.0
176.7001190185547	152.0
177.0113067626953	280.0
177.06805419921875	160.0
177.46426391601562	108.0
177.921875	176.0
177.99563598632812	484.0
178.0399627685547	396.0
178.33094787597656	212.0
178.44259643554688	144.0
178.96939086914062	200.0
179.00308227539062	3020.0
179.36634826660156	140.0
179.62232971191406	148.0
179.64100646972656	196.0
179.6863555908203	144.0
179.97193908691406	192.0
180.01011657714844	1328.0
180.0533447265625	156.0
180.10641479492188	156.0
180.4849395751953	184.0
180.85679626464844	184.0
180.98179626464844	152.0
181.01889038085938	4272.0
181.08181762695312	172.0
181.50511169433594	216.0
181.5775146484375	148.0
181.9931182861328	312.0
182.02682495117188	5960.0
182.0751495361328	132.0
182.82945251464844	140.0
182.96742248535156	172.0
182.99168395996094	244.0
183.0325164794922	4656.0
183.0696258544922	164.0
183.11322021484375	128.0
183.62689208984375	184.0
183.6511688232422	140.0
184.02003479003906	1572.0
184.08544921875	180.0
184.8290252685547	184.0
184.8804473876953	140.0
184.98202514648438	168.0
185.01756286621094	584.0
185.03680419921875	176.0
185.3206787109375	104.0
185.9812774658203	156.0
186.0188751220703	180.0
186.05943298339844	120.0
186.11256408691406	272.0
187.3730926513672	156.0
187.99749755859375	144.0
188.03941345214844	3864.0
188.4077911376953	192.0
188.77877807617188	140.0
188.8526153564453	180.0
189.0407257080078	656.0
189.4739990234375	184.0
189.5945587158203	176.0
190.0420684814453	484.0
190.84628295898438	164.0
191.01486206054688	176.0
191.03851318359375	600.0
192.00538635253906	108.0
192.03167724609375	120.0
192.4857635498047	140.0
192.665283203125	200.0
192.72329711914062	176.0
192.7774658203125	160.0
193.0096435546875	9408.0
193.1066131591797	200.0
193.41534423828125	176.0
193.48831176757812	96.0
193.84881591796875	172.0
194.01402282714844	1232.0
194.06436157226562	144.0
194.4422607421875	160.0
194.47625732421875	204.0
194.70114135742188	176.0
194.76223754882812	200.0
195.0198211669922	752.0
195.07106018066406	136.0
195.3031768798828	148.0
195.4962158203125	168.0
195.7040557861328	240.0
195.94891357421875	124.0
196.00961303710938	1376.0
196.0390167236328	992.0
196.06956481933594	172.0
197.0005645751953	372.0
197.00836181640625	284.0
197.04905700683594	11320.0
197.14431762695312	184.0
197.40708923339844	148.0
197.9818115234375	328.0
198.00460815429688	548.0
198.0492401123047	1204.0
198.98532104492188	116.0
199.01235961914062	320.0
199.04632568359375	644.0
199.16151428222656	244.0
199.21864318847656	116.0
199.28211975097656	104.0
199.36781311035156	224.0
199.99502563476562	1728.0
200.03414916992188	220.0
200.07484436035156	656.0
200.6952362060547	148.0
200.8009796142578	208.0
200.8221435546875	228.0
200.9934539794922	124.0
201.0434112548828	2924.0
201.8218231201172	160.0
202.00123596191406	136.0
202.0297393798828	604.0
202.46417236328125	148.0
203.01312255859375	180.0
203.0409698486328	388.0
204.0248260498047	512.0
204.07432556152344	184.0
204.16976928710938	164.0
204.97738647460938	164.0
205.02069091796875	164.0
205.04110717773438	168.0
205.37449645996094	216.0
205.4172821044922	156.0
205.4657745361328	148.0
205.77114868164062	140.0
205.99217224121094	272.0
206.04750061035156	296.0
206.20248413085938	216.0
206.9443817138672	148.0
206.98069763183594	112.0
207.01695251464844	180.0
207.04360961914062	508.0
207.07223510742188	148.0
207.96963500976562	216.0
207.99755859375	364.0
208.0394287109375	180.0
208.06654357910156	180.0
208.5785675048828	220.0
208.7108154296875	204.0
209.013671875	9376.0
209.06076049804688	336.0
209.10348510742188	176.0
209.21035766601562	152.0
209.30067443847656	188.0
209.7167205810547	144.0
209.76739501953125	180.0
210.0209503173828	13892.0
210.10272216796875	228.0
210.2245330810547	192.0
210.89889526367188	140.0
210.97674560546875	272.0
211.02593994140625	13864.0
211.20538330078125	188.0
211.2809600830078	192.0
211.71018981933594	124.0
211.74493408203125	192.0
211.9344940185547	136.0
211.99549865722656	1012.0
212.0291290283203	1920.0
212.0772705078125	264.0
212.4579315185547	100.0
212.6118621826172	108.0
213.04322814941406	1676.0
213.07427978515625	200.0
213.64785766601562	172.0
213.9119873046875	136.0
214.0251922607422	328.0
214.05303955078125	1820.0
215.0422821044922	1120.0
215.55760192871094	140.0
215.89083862304688	180.0
215.9905548095703	428.0
216.0440216064453	448.0
216.60791015625	212.0
217.02951049804688	472.0
217.05059814453125	596.0
217.46408081054688	188.0
217.9888153076172	192.0
218.04458618164062	416.0
218.54844665527344	208.0
219.00794982910156	240.0
219.0613555908203	468.0
219.46742248535156	164.0
219.57278442382812	192.0
219.97779846191406	148.0
220.0026092529297	432.0
220.05368041992188	112.0
220.9441375732422	180.0
221.0025177001953	888.0
221.17495727539062	148.0
221.51844787597656	184.0
222.0138702392578	620.0
222.0622100830078	376.0
222.12315368652344	156.0
223.0186309814453	640.0
223.9396209716797	96.0
223.9889373779297	328.0
224.03721618652344	876.0
224.201171875	144.0
224.67849731445312	156.0
224.83450317382812	140.0
224.9052734375	308.0
224.927734375	100.0
224.99110412597656	1172.0
225.035400390625	7876.0
225.18295288085938	164.0
225.22152709960938	140.0
225.5444793701172	152.0
225.99789428710938	2404.0
226.03622436523438	1056.0
226.13143920898438	116.0
226.17262268066406	140.0
226.54092407226562	160.0
226.95152282714844	172.0
227.0057373046875	5312.0
227.04376220703125	648.0
227.08946228027344	144.0
227.48049926757812	148.0
227.51255798339844	168.0
228.00344848632812	1192.0
228.03594970703125	452.0
228.1141815185547	180.0
229.00411987304688	316.0
229.0355224609375	436.0
229.0690460205078	264.0
229.28118896484375	152.0
230.05337524414062	736.0
230.0849151611328	2756.0
230.2616729736328	148.0
230.30174255371094	136.0
230.52349853515625	156.0
230.6212158203125	184.0
231.05552673339844	608.0
231.0902099609375	488.0
231.9863739013672	468.0
232.06898498535156	824.0
232.37152099609375	140.0
232.9967498779297	428.0
233.0493927001953	344.0
233.55322265625	144.0
233.9904022216797	216.0
234.02029418945312	116.0
234.05035400390625	112.0
235.01243591308594	400.0
235.5333251953125	228.0
235.9821014404297	120.0
236.01622009277344	480.0
236.387451171875	204.0
236.45889282226562	140.0
236.4884490966797	204.0
236.62158203125	148.0
236.65069580078125	140.0
236.67825317382812	148.0
236.87974548339844	96.0
236.99020385742188	212.0
237.0194091796875	304.0
237.04608154296875	164.0
237.3769989013672	184.0
237.5240936279297	140.0
237.97157287597656	356.0
237.99493408203125	156.0
238.08660888671875	144.0
238.13796997070312	172.0
238.2577667236328	144.0
238.3077850341797	156.0
238.74647521972656	144.0
239.0152130126953	672.0
239.46697998046875	108.0
239.51605224609375	184.0
239.70692443847656	140.0
240.0346221923828	416.0
240.5458221435547	160.0
240.657958984375	136.0
240.8382568359375	164.0
240.88465881347656	104.0
240.94850158691406	212.0
240.98941040039062	144.0
241.03965759277344	62744.0
241.12173461914062	132.0
241.342041015625	132.0
241.4830322265625	152.0
241.518798828125	104.0
241.788330078125	148.0
241.99197387695312	132.0
242.04263305664062	6504.0
242.3029327392578	144.0
242.71572875976562	96.0
242.96578979492188	216.0
243.0364227294922	2388.0
243.3176727294922	172.0
243.51998901367188	104.0
243.6031494140625	112.0
244.03883361816406	292.0
244.0667266845703	1376.0
244.6929931640625	168.0
244.8105010986328	104.0
244.9974822998047	272.0
245.04934692382812	752.0
245.2825164794922	224.0
245.44151306152344	164.0
245.697265625	140.0
246.00279235839844	168.0
246.04884338378906	720.0
246.09515380859375	164.0
246.2953338623047	108.0
246.43093872070312	216.0
247.0124053955078	3212.0
247.05723571777344	408.0
247.92977905273438	156.0
248.01829528808594	5848.0
248.415771484375	168.0
248.63967895507812	100.0
249.02511596679688	2352.0
249.0792694091797	108.0
249.28231811523438	180.0
249.59152221679688	152.0
250.01312255859375	988.0
250.8780517578125	176.0
251.01388549804688	292.0
251.0426483154297	308.0
251.30381774902344	140.0
252.0253448486328	308.0
252.06683349609375	228.0
252.7920684814453	144.0
252.87435913085938	140.0
252.98646545410156	1116.0
253.02859497070312	476.0
253.06539916992188	456.0
253.30813598632812	140.0
253.9129180908203	148.0
253.98858642578125	320.0
254.0407257080078	152.0
254.23968505859375	168.0
254.36473083496094	212.0
254.99386596679688	392.0
255.0787811279297	140.0
255.50808715820312	156.0
255.7344207763672	96.0
256.0002746582031	164.0
256.7375793457031	156.0
257.01763916015625	2680.0
257.2065734863281	152.0
257.86773681640625	148.0
257.9661560058594	136.0
258.02410888671875	824.0
258.5617370605469	140.0
259.0494079589844	1644.0
259.5270690917969	208.0
260.00067138671875	288.0
260.05657958984375	660.0
260.21380615234375	112.0
260.4071044921875	124.0
260.96759033203125	156.0
261.0148620605469	668.0
261.0487976074219	204.0
261.81463623046875	128.0
261.9201354980469	144.0
262.0199890136719	976.0
262.07373046875	208.0
263.008544921875	960.0
263.060791015625	340.0
263.2715148925781	212.0
263.9824523925781	288.0
264.0339050292969	596.0
264.2864990234375	280.0
264.3460388183594	140.0
264.62310791015625	196.0
265.0247497558594	580.0
265.2353820800781	192.0
265.5059509277344	104.0
265.62774658203125	224.0
266.0281066894531	140.0
266.08587646484375	136.0
266.3763122558594	160.0
266.4132995605469	144.0
266.63751220703125	168.0
266.9203186035156	168.0
267.0048828125	268.0
267.0645446777344	164.0
267.70782470703125	140.0
268.02703857421875	180.0
268.1204528808594	132.0
268.5682067871094	140.0
268.66351318359375	112.0
268.8934326171875	144.0
268.9989318847656	152.0
269.0497131347656	360.0
270.0166320800781	168.0
270.07855224609375	108.0
270.5255126953125	224.0
270.75469970703125	156.0
270.9086608886719	140.0
271.0337829589844	128.0
271.0667724609375	168.0
271.4264831542969	164.0
272.0268249511719	520.0
272.1811828613281	152.0
272.27642822265625	140.0
273.0038757324219	168.0
273.0436096191406	248.0
273.09149169921875	208.0
273.6805419921875	160.0
274.0204772949219	1456.0
274.07403564453125	608.0
274.13250732421875	336.0
274.70928955078125	376.0
275.02886962890625	2048.0
275.434814453125	136.0
275.6993103027344	148.0
275.90631103515625	172.0
276.01470947265625	1016.0
276.0368957519531	1888.0
276.5377197265625	164.0
277.0228576660156	3108.0
277.0420837402344	3752.0
277.31207275390625	132.0
278.0284423828125	712.0
278.94744873046875	184.0
279.0371398925781	2616.0
279.8712158203125	128.0
280.0389099121094	624.0
280.993896484375	252.0
281.0367431640625	340.0
282.0262451171875	120.0
282.0549011230469	152.0
283.0204162597656	148.0
283.0445556640625	160.0
283.0929260253906	504.0
283.124755859375	152.0
283.148193359375	164.0
283.1917419433594	164.0
283.8318176269531	156.0
284.01849365234375	192.0
284.0306091308594	128.0
284.10150146484375	184.0
285.0119934082031	8432.0
285.3158264160156	156.0
286.01434326171875	804.0
286.0372009277344	1660.0
286.0794677734375	216.0
286.76824951171875	172.0
287.0078125	732.0
287.261474609375	152.0
287.4332580566406	144.0
288.0215759277344	216.0
288.05596923828125	540.0
288.17041015625	180.0
288.9815368652344	180.0
289.0068359375	332.0
289.0546875	192.0
289.2390441894531	144.0
289.2830505371094	152.0
290.015380859375	1480.0
290.0686340332031	620.0
290.109619140625	220.0
290.19775390625	156.0
290.7642517089844	144.0
291.0237731933594	1404.0
291.08428955078125	212.0
291.46038818359375	156.0
292.0302429199219	776.0
292.08270263671875	220.0
292.6971130371094	108.0
292.90966796875	144.0
293.04010009765625	2116.0
293.0936279296875	192.0
293.58203125	148.0
294.0444641113281	568.0
294.0814208984375	128.0
294.2532958984375	156.0
294.61309814453125	180.0
294.70068359375	168.0
294.9862060546875	176.0
295.0299987792969	508.0
295.3433837890625	152.0
295.75396728515625	188.0
296.0642395019531	1200.0
296.10321044921875	148.0
296.66326904296875	176.0
297.04937744140625	160.0
297.40838623046875	204.0
298.9407653808594	116.0
299.0489807128906	156.0
299.08685302734375	164.0
300.009521484375	200.0
300.07537841796875	288.0
300.6688232421875	164.0
300.73785400390625	176.0
301.00726318359375	192.0
301.0382080078125	248.0
301.0789489746094	160.0
301.2350769042969	156.0
301.9955749511719	1060.0
302.0693664550781	332.0
302.1961364746094	156.0
302.5491638183594	140.0
303.0033264160156	1104.0
303.0263366699219	564.0
303.8427734375	160.0
303.873046875	144.0
304.0103454589844	1372.0
304.369384765625	152.0
305.01397705078125	304.0
305.2032775878906	152.0
305.3458557128906	180.0
305.64501953125	152.0
305.99609375	420.0
306.0487365722656	6420.0
306.11346435546875	264.0
307.0487365722656	1160.0
307.6036682128906	140.0
307.7218322753906	128.0
308.0614318847656	1272.0
308.9302062988281	164.0
309.0505676269531	488.0
309.24298095703125	204.0
310.0541687011719	264.0
311.02581787109375	196.0
311.0542297363281	192.0
311.8689270019531	168.0
312.8936767578125	144.0
313.312744140625	156.0
314.9071350097656	200.0
315.0272216796875	148.0
315.67755126953125	152.0
315.8650207519531	196.0
317.0509033203125	136.0
317.1007080078125	252.0
317.15740966796875	180.0
317.4745178222656	132.0
318.0148010253906	580.0
318.06304931640625	956.0
318.1004638671875	3376.0
318.2229919433594	180.0
319.018798828125	3184.0
319.0679931640625	312.0
319.1038513183594	556.0
319.4972839355469	116.0
319.6327209472656	212.0
320.02496337890625	1072.0
320.101806640625	272.0
320.1776123046875	124.0
321.0202941894531	992.0
321.3180236816406	180.0
322.04376220703125	1916.0
322.0989074707031	380.0
322.61651611328125	168.0
323.0426330566406	300.0
323.10198974609375	248.0
323.2779541015625	160.0
323.4156494140625	168.0
323.464599609375	188.0
323.7361755371094	232.0
323.87811279296875	196.0
324.0593566894531	17092.0
324.2851257324219	100.0
324.3840637207031	112.0
324.6445007324219	172.0
324.8765563964844	184.0
325.0617980957031	2952.0
326.05322265625	1624.0
326.4447937011719	96.0
326.59747314453125	204.0
326.6457214355469	288.0
327.0596618652344	260.0
328.8257751464844	108.0
328.85552978515625	172.0
329.00286865234375	388.0
330.16522216796875	236.0
330.4835510253906	140.0
330.66900634765625	176.0
331.0282287597656	132.0
331.84173583984375	172.0
331.86712646484375	172.0
331.9728698730469	296.0
332.0266418457031	220.0
332.3605041503906	140.0
332.91943359375	172.0
333.0108337402344	420.0
333.0386657714844	148.0
333.1104736328125	140.0
333.9224853515625	140.0
334.0425109863281	2220.0
334.1820068359375	160.0
334.6320495605469	152.0
334.87603759765625	200.0
335.0495910644531	708.0
335.1882629394531	164.0
335.7251892089844	148.0
336.0396423339844	644.0
336.34967041015625	172.0
336.8200988769531	152.0
336.8931579589844	140.0
337.031494140625	124.0
337.2549133300781	240.0
338.03350830078125	196.0
338.0714111328125	144.0
338.1070861816406	144.0
338.7807922363281	140.0
339.0288391113281	112.0
339.0714416503906	320.0
339.1116943359375	180.0
339.5615234375	140.0
340.94927978515625	168.0
340.9750061035156	176.0
341.5816650390625	140.0
342.0858154296875	240.0
342.7008361816406	312.0
344.4206237792969	148.0
344.9409484863281	140.0
345.0086975097656	144.0
345.7287292480469	272.0
345.9026794433594	204.0
346.0026550292969	176.0
346.0566101074219	300.0
347.01318359375	448.0
347.0549011230469	256.0
347.6205139160156	104.0
347.7485656738281	148.0
348.02130126953125	280.0
348.0878601074219	216.0
348.73651123046875	212.0
348.92718505859375	108.0
349.00994873046875	496.0
349.0852966308594	180.0
349.1305847167969	148.0
349.5546875	232.0
349.5976257324219	148.0
349.9592590332031	144.0
350.0384521484375	8788.0
350.33282470703125	140.0
350.860107421875	172.0
350.9664001464844	152.0
351.044189453125	2316.0
351.2218017578125	116.0
351.5221862792969	188.0
351.6293029785156	152.0
352.05255126953125	3964.0
352.2225341796875	156.0
353.0519714355469	724.0
354.0674133300781	992.0
354.2514953613281	140.0
354.56622314453125	164.0
355.04693603515625	160.0
355.405517578125	148.0
356.0855712890625	504.0
357.08306884765625	292.0
358.12042236328125	172.0
358.346435546875	172.0
359.1659240722656	108.0
359.2663269042969	188.0
359.3040466308594	156.0
360.5916748046875	140.0
361.0460205078125	180.0
362.07562255859375	136.0
362.2451477050781	332.0
362.8135986328125	200.0
363.0140380859375	120.0
363.05377197265625	448.0
363.12451171875	196.0
363.1700439453125	168.0
363.3408508300781	124.0
363.70501708984375	156.0
363.77716064453125	184.0
364.0585632324219	344.0
364.16064453125	244.0
364.69256591796875	164.0
364.7806701660156	112.0
364.8712463378906	228.0
365.0260925292969	1304.0
365.06414794921875	268.0
366.0673828125	4276.0
366.5002136230469	148.0
366.6488037109375	192.0
367.0210876464844	264.0
367.0724182128906	948.0
367.2740783691406	192.0
367.5907287597656	148.0
368.0481872558594	7160.0
368.8199768066406	148.0
368.9497985839844	232.0
369.05279541015625	1404.0
369.2724609375	112.0
370.0456237792969	1036.0
370.5233459472656	176.0
370.56549072265625	156.0
371.0428771972656	136.0
371.3935241699219	144.0
371.723876953125	148.0
371.771484375	124.0
372.1610412597656	148.0
373.22918701171875	172.0
374.1102294921875	144.0
374.1679992675781	200.0
374.5684814453125	136.0
375.04241943359375	164.0
375.146484375	196.0
375.510986328125	168.0
376.0220642089844	140.0
376.0682678222656	116.0
376.52423095703125	276.0
377.4166259765625	168.0
378.0336608886719	5844.0
378.0684814453125	1804.0
378.203857421875	96.0
379.0386047363281	992.0
379.1339111328125	164.0
380.0360412597656	652.0
380.08203125	408.0
380.22894287109375	180.0
380.4152526855469	192.0
380.6816711425781	96.0
380.8229675292969	164.0
380.8579406738281	148.0
380.9544982910156	112.0
381.0335388183594	192.0
381.09130859375	316.0
381.6475830078125	160.0
381.84515380859375	172.0
382.0654602050781	59968.0
382.32708740234375	112.0
382.4357604980469	120.0
382.5202941894531	116.0
382.5819396972656	112.0
382.6532287597656	168.0
382.8775939941406	100.0
382.9586181640625	224.0
383.067138671875	10312.0
383.1380615234375	252.0
383.23162841796875	184.0
383.2667236328125	108.0
384.0621643066406	3612.0
384.115478515625	364.0
384.2660217285156	132.0
384.467041015625	204.0
384.8730163574219	160.0
384.92767333984375	168.0
385.0213928222656	128.0
385.0655517578125	1304.0
385.1268615722656	164.0
385.5691223144531	100.0
385.62921142578125	108.0
385.9988098144531	136.0
386.0640869140625	128.0
386.2173767089844	152.0
386.8943176269531	144.0
388.3951416015625	148.0
390.5082702636719	184.0
390.7265930175781	104.0
390.8278503417969	156.0
391.0466003417969	124.0
391.30316162109375	176.0
391.4252014160156	192.0
391.6260681152344	228.0
392.05120849609375	204.0
392.3716735839844	256.0
392.4102478027344	180.0
392.4631042480469	208.0
392.7848815917969	156.0
393.0334167480469	192.0
393.06817626953125	104.0
393.0992431640625	112.0
393.31756591796875	192.0
393.5662841796875	148.0
393.6319580078125	152.0
393.71240234375	180.0
393.9375305175781	148.0
394.100830078125	2436.0
394.45123291015625	152.0
394.6460876464844	164.0
395.10052490234375	808.0
396.0435791015625	12804.0
396.4427795410156	124.0
396.6457214355469	104.0
396.8443603515625	100.0
396.96484375	224.0
397.0473937988281	3568.0
397.34539794921875	144.0
397.5762023925781	172.0
397.7468566894531	152.0
398.0401306152344	2276.0
398.1994934082031	148.0
398.3955383300781	124.0
398.5610046386719	160.0
398.8590393066406	168.0
399.0500183105469	596.0
399.3191223144531	112.0
399.484130859375	124.0
399.79119873046875	128.0
400.0752258300781	948.0
401.0740661621094	364.0
401.696533203125	164.0
402.49237060546875	140.0
403.83514404296875	164.0
404.0460205078125	144.0
404.1631774902344	152.0
404.8356628417969	160.0
404.9030456542969	108.0
405.027099609375	140.0
405.80670166015625	164.0
406.18438720703125	116.0
406.3788757324219	184.0
406.625	96.0
407.0794982910156	116.0
407.2987976074219	120.0
407.7778625488281	104.0
407.8887023925781	104.0
407.9721984863281	164.0
408.06005859375	184.0
408.1234130859375	116.0
408.17218017578125	184.0
408.2664489746094	96.0
408.3981628417969	108.0
408.5191650390625	256.0
408.5484313964844	144.0
408.626953125	96.0
408.7193603515625	196.0
408.7485656738281	156.0
408.7797546386719	108.0
408.9026794433594	100.0
408.9617919921875	292.0
409.0244140625	196.0
409.11279296875	108.0
409.14935302734375	264.0
409.2142333984375	356.0
409.2666931152344	192.0
409.3591003417969	176.0
409.3885498046875	192.0
409.435302734375	100.0
409.44720458984375	196.0
409.4646911621094	204.0
409.5572204589844	108.0
409.6006774902344	148.0
409.6558837890625	124.0
409.68829345703125	260.0
409.7279052734375	212.0
409.7901306152344	164.0
409.8313903808594	324.0
409.8774719238281	256.0
409.9224853515625	276.0
410.0619812011719	190484.0
410.21014404296875	312.0
410.2521667480469	252.0
410.3078308105469	212.0
410.32391357421875	172.0
410.3705139160156	208.0
410.41265869140625	132.0
410.45123291015625	392.0
410.5036315917969	136.0
410.55950927734375	248.0
410.6025085449219	140.0
410.7247619628906	2952.0
410.80450439453125	360.0
410.85186767578125	212.0
410.89337158203125	152.0
411.0633544921875	60484.0
411.19927978515625	232.0
411.2443542480469	232.0
411.3913269042969	164.0
411.44146728515625	120.0
411.5382995605469	108.0
411.5950012207031	128.0
411.7240295410156	308.0
411.793701171875	124.0
411.8550720214844	116.0
411.96612548828125	116.0
411.9989929199219	516.0
412.057373046875	31976.0
412.20135498046875	100.0
412.2478332519531	128.0
412.342529296875	152.0
412.7578125	172.0
412.9125061035156	124.0
412.9586486816406	200.0
413.0579528808594	3672.0
413.23699951171875	172.0
413.31512451171875	168.0
413.3758850097656	140.0
413.4526062011719	232.0
413.49072265625	304.0
413.56915283203125	128.0
413.6129455566406	432.0
413.6766357421875	328.0
413.7041320800781	300.0
413.7496032714844	244.0
413.8055114746094	140.0
413.9198913574219	148.0
414.0582275390625	352.0
414.1772766113281	116.0
414.2314147949219	132.0
414.3164978027344	188.0
414.4463195800781	96.0
414.5455322265625	212.0
414.645751953125	180.0
414.84259033203125	120.0
415.0082702636719	112.0
415.1631774902344	124.0
415.2563171386719	176.0
415.3593444824219	108.0
415.7111511230469	184.0
416.11773681640625	100.0
416.89373779296875	156.0
417.95098876953125	260.0
419.25201416015625	104.0
419.3355712890625	156.0
420.7754821777344	188.0
421.05572509765625	152.0
422.06011962890625	3732.0
422.114013671875	100.0
422.8561096191406	156.0
423.0638122558594	912.0
423.2718505859375	108.0
424.05242919921875	228.0
424.1107177734375	256.0
424.2435607910156	116.0
424.5572814941406	124.0
425.0541076660156	136.0
425.1084899902344	184.0
425.5369873046875	236.0
426.09124755859375	336.0
426.2986145019531	120.0
426.43658447265625	148.0
426.71612548828125	256.0
426.90008544921875	140.0
427.09564208984375	112.0
427.125732421875	164.0
427.24664306640625	96.0
427.2939758300781	208.0
427.34271240234375	324.0
427.4245300292969	272.0
427.5656433105469	160.0
427.6839599609375	160.0
427.88677978515625	248.0
427.93170166015625	224.0
427.9932861328125	304.0
428.0713195800781	93076.0
428.2135314941406	192.0
428.27520751953125	104.0
428.38818359375	156.0
428.5068664550781	128.0
428.5962219238281	164.0
428.63525390625	144.0
428.6684265136719	164.0
428.7498779296875	256.0
428.825927734375	248.0
428.8650207519531	172.0
429.0726013183594	22556.0
429.183349609375	116.0
429.4411315917969	156.0
429.5722961425781	132.0
429.7470397949219	144.0
429.80645751953125	168.0
429.974853515625	164.0
430.0681457519531	8812.0
430.1924743652344	120.0
430.2886962890625	112.0
430.5166931152344	112.0
430.6756286621094	152.0
431.0695495605469	1392.0
431.25994873046875	156.0
431.2870788574219	176.0
431.38153076171875	112.0
431.54791259765625	252.0
431.6285400390625	104.0
431.781005859375	192.0
431.84808349609375	300.0
431.93011474609375	104.0
432.0623474121094	396.0
432.2945861816406	100.0
432.63232421875	104.0
432.8151550292969	120.0
433.2354736328125	96.0
433.35693359375	240.0
435.8755187988281	148.0
436.0782775878906	176.0
437.9847412109375	164.0
438.0907897949219	5272.0
439.0935363769531	1536.0
440.0877380371094	1184.0
440.89276123046875	140.0
441.03070068359375	148.0
441.0933837890625	200.0
442.12298583984375	416.0
442.7198486328125	140.0
443.1150207519531	140.0
444.1155090332031	320.0
445.1186828613281	188.0
446.07745361328125	200.0
451.0606689453125	112.0
451.347412109375	140.0
452.1109924316406	124.0
454.0845642089844	2628.0
454.1763610839844	212.0
455.09051513671875	1168.0
456.08575439453125	356.0
457.0675354003906	132.0
457.09954833984375	380.0
457.97198486328125	148.0
458.5982971191406	160.0
463.0331115722656	148.0
465.7867126464844	220.0
469.53857421875	108.0
470.1170349121094	4020.0
470.199951171875	156.0
471.1166076660156	2096.0
472.11663818359375	376.0
473.1089782714844	184.0
473.9184875488281	108.0
476.18548583984375	168.0
479.33282470703125	172.0
481.5751647949219	168.0
482.00152587890625	128.0
482.1132507324219	556.0
483.11553955078125	204.0
484.615478515625	140.0
485.1194763183594	200.0
485.68072509765625	144.0
491.3907470703125	184.0
493.2454833984375	140.0
493.4842224121094	164.0
494.5043640136719	168.0
497.1364440917969	128.0
498.1094970703125	3764.0
499.1101379394531	1284.0
499.19085693359375	172.0
500.1106872558594	592.0
501.11187744140625	184.0
502.1192321777344	188.0
505.8564758300781	184.0
507.2496032714844	144.0
510.72052001953125	156.0
511.0997619628906	252.0
512.1295166015625	236.0
513.1026611328125	152.0
514.10546875	2140.0
515.1087646484375	964.0
515.6325073242188	104.0
516.1057739257812	400.0
517.1034545898438	176.0
518.8456420898438	116.0
522.1316528320312	144.0
522.2317504882812	172.0
522.400634765625	116.0
523.3935546875	132.0
523.5242309570312	160.0
525.9789428710938	140.0
526.0240478515625	128.0
526.1074829101562	21308.0
526.3775634765625	124.0
526.5599975585938	216.0
526.8344116210938	172.0
526.9476318359375	176.0
526.9954833984375	144.0
527.1072998046875	5552.0
527.201904296875	120.0
527.368896484375	100.0
527.9657592773438	120.0
528.107421875	2736.0
528.18408203125	164.0
529.1027221679688	584.0
529.1542358398438	160.0
529.9987182617188	100.0
530.1307373046875	500.0
530.2740478515625	124.0
531.1424560546875	244.0
533.1908569335938	180.0
537.2243041992188	176.0
539.5241088867188	228.0
544.5379028320312	108.0
549.6212158203125	160.0
551.1840209960938	144.0
553.5891723632812	124.0
553.9457397460938	152.0
554.31201171875	116.0
554.6515502929688	96.0
555.071044921875	164.0
555.1276245117188	948.0
555.31298828125	128.0
555.3812255859375	100.0
555.6099243164062	144.0
555.666259765625	196.0
555.720458984375	108.0
556.0338134765625	132.0
556.1281127929688	204.0
556.3053588867188	104.0
556.9398193359375	100.0
557.0125122070312	180.0
557.0573120117188	128.0
557.1370239257812	324.0
557.19384765625	244.0
557.2416381835938	124.0
557.306640625	136.0
557.482666015625	128.0
557.6508178710938	152.0
557.7191162109375	124.0
557.7559814453125	208.0
557.8084716796875	104.0
557.9678344726562	276.0
558.0337524414062	236.0
558.0653686523438	192.0
558.134521484375	88492.0
558.3368530273438	168.0
558.3920288085938	140.0
558.4701538085938	160.0
558.5379638671875	136.0
558.6250610351562	164.0
558.6680297851562	184.0
558.7651977539062	152.0
558.9083251953125	180.0
558.9866943359375	144.0
559.1364135742188	25208.0
559.3262329101562	220.0
559.3994140625	144.0
559.5382690429688	136.0
559.6146850585938	216.0
559.6768798828125	128.0
559.7706298828125	124.0
559.8646850585938	140.0
560.130859375	9752.0
560.6790161132812	168.0
560.95849609375	124.0
561.1316528320312	1976.0
561.2899169921875	240.0
561.835205078125	144.0
561.9371948242188	152.0
562.01220703125	164.0
562.0537109375	132.0
562.1273803710938	472.0
562.190673828125	100.0
562.3319702148438	244.0
562.4854125976562	128.0
562.54150390625	232.0
563.1383056640625	112.0
564.4766235351562	100.0
581.1185913085938	144.0
582.8358764648438	148.0
594.8130493164062	144.0
679.4156494140625	144.0
700.4358520507812	156.0
701.602294921875	104.0
712.988037109375	132.0
769.0012817382812	180.0
887.8067626953125	96.0
994.4688720703125	140.0
997.854736328125	184.0
1012.5067138671875	180.0
1014.9147338867188	220.0
1040.6602783203125	168.0
1042.7286376953125	156.0
1045.7593994140625	128.0
1069.9093017578125	176.0
1159.66845703125	160.0
1190.14208984375	148.0
1193.7633056640625	152.0
1200.187744140625	208.0
1252.50732421875	184.0
1252.9158935546875	196.0
1260.599609375	160.0
1283.0428466796875	144.0
1290.060302734375	140.0
1348.4820556640625	144.0
1366.5360107421875	204.0
1369.0755615234375	152.0
1373.3502197265625	156.0
1398.393310546875	212.0
1405.7862548828125	196.0
1409.4002685546875	164.0
1411.2138671875	188.0
1413.9095458984375	144.0
1414.201416015625	152.0
1429.428466796875	140.0
1493.3358154296875	244.0
1495.5594482421875	208.0
1499.618408203125	200.0
1510.1497802734375	204.0
1536.077392578125	172.0
1592.889404296875	176.0
1597.7293701171875	168.0
1615.272705078125	224.0
1619.5389404296875	180.0
1620.1798095703125	204.0
1624.572998046875	176.0
1627.478271484375	140.0
1632.07421875	184.0
1636.1934814453125	160.0
1637.264404296875	236.0
1647.1123046875	184.0
1652.3507080078125	188.0
1654.81103515625	176.0
1657.378662109375	148.0
1662.2843017578125	236.0
1666.3603515625	188.0
1675.806396484375	160.0
1678.0557861328125	180.0
1680.5596923828125	232.0
1681.5716552734375	140.0
1690.4794921875	188.0
1692.2720947265625	140.0
1697.6063232421875	140.0
1700.53515625	248.0
1702.899658203125	148.0
1704.781005859375	228.0
1705.8741455078125	176.0
1721.6524658203125	160.0
1725.7509765625	140.0
1729.0845947265625	204.0
1751.7686767578125	148.0
1754.9189453125	148.0
1759.323974609375	244.0
1760.153564453125	256.0
1764.018798828125	188.0
1770.8297119140625	156.0
1772.52197265625	204.0
1780.6173095703125	168.0
1781.4908447265625	212.0
1784.0352783203125	180.0
1785.9459228515625	156.0
1788.7647705078125	164.0
1795.404052734375	200.0
1803.4837646484375	152.0
1805.1407470703125	180.0
1805.199951171875	168.0
1815.03955078125	204.0
1821.531982421875	164.0
1828.9892578125	144.0
1835.7965087890625	148.0
1842.6419677734375	148.0
1843.7869873046875	188.0
1844.41943359375	240.0
1850.7757568359375	152.0
1859.966064453125	164.0
1861.3310546875	144.0
1863.418212890625	200.0
1867.200439453125	172.0
1867.8798828125	152.0
1870.7884521484375	160.0
1874.7677001953125	200.0
1878.6629638671875	140.0
1883.1102294921875	144.0
1885.0626220703125	172.0
1891.8868408203125	160.0
1893.895751953125	184.0
1901.707763671875	176.0
1904.873779296875	180.0
1906.6583251953125	172.0
1916.369384765625	140.0
1917.02294921875	204.0
1924.89990234375	252.0
1927.8525390625	236.0
1930.719970703125	140.0
1936.732666015625	148.0
1937.0567626953125	168.0
1945.48388671875	196.0
1946.2916259765625	148.0
1946.6318359375	168.0
1953.5775146484375	264.0
1955.064453125	164.0
1957.9432373046875	152.0
1960.4627685546875	216.0
1961.1766357421875	144.0
1969.9564208984375	232.0
1970.6365966796875	156.0
1971.2388916015625	124.0
1972.2979736328125	180.0
1973.3499755859375	156.0
1974.33154296875	204.0
1976.32177734375	144.0
1978.8885498046875	140.0
1981.8291015625	228.0
1983.4718017578125	196.0
1986.8294677734375	204.0
1987.2996826171875	148.0
1990.5394287109375	204.0
1994.4217529296875	180.0
2000.541748046875	160.0
2003.275634765625	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079027
PEPMASS=376.147186
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_G2_H11_BC7_01_15721.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TIAGABINE HCl [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1ccsc1C(=CCCN2CCC[C@H](C2)C(=O)O)c3sccc3C
INCHI=InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
INCHIAUX=PBJUNZJWGZTSKL-MRXNPFEDSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079027
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079027
SCANS=1220
44.9246826171875	192.0
44.99674987792969	152.0
45.64525604248047	200.0
45.7111701965332	144.0
45.77847671508789	196.0
45.967201232910156	144.0
46.02119064331055	156.0
46.10224151611328	204.0
46.25798416137695	108.0
46.30652618408203	184.0
46.37969207763672	144.0
46.5194091796875	216.0
46.7457160949707	148.0
46.79336929321289	136.0
46.833518981933594	196.0
47.048858642578125	144.0
47.16781997680664	176.0
47.54895782470703	164.0
47.749176025390625	188.0
47.76018142700195	340.0
47.81934356689453	164.0
48.52800750732422	148.0
48.61164474487305	148.0
49.55803298950195	140.0
50.083438873291016	144.0
50.42064666748047	160.0
50.475399017333984	164.0
50.75331115722656	152.0
50.82990646362305	152.0
51.22087860107422	148.0
51.56760025024414	140.0
51.862449645996094	144.0
51.96043014526367	220.0
52.01162338256836	168.0
52.097782135009766	172.0
52.18257522583008	148.0
52.24872970581055	220.0
52.264556884765625	152.0
52.42439651489258	216.0
52.72100067138672	136.0
52.78961944580078	140.0
52.92853546142578	156.0
53.025596618652344	172.0
53.20401382446289	164.0
53.502037048339844	156.0
53.58213806152344	176.0
53.81841278076172	140.0
53.91044235229492	188.0
53.94405746459961	148.0
54.05813980102539	144.0
54.25733947753906	140.0
54.38936233520508	148.0
54.58034896850586	244.0
54.603878021240234	148.0
54.65095138549805	172.0
54.75694274902344	176.0
55.04450988769531	156.0
55.18783950805664	236.0
55.486915588378906	204.0
55.62736129760742	196.0
55.72140884399414	224.0
55.784461975097656	112.0
56.22042465209961	180.0
56.4158935546875	236.0
56.89883804321289	288.0
56.956851959228516	184.0
56.98689651489258	140.0
57.09061813354492	236.0
57.140960693359375	216.0
57.376705169677734	176.0
57.75422286987305	144.0
58.28297424316406	180.0
58.32282638549805	172.0
58.563228607177734	160.0
58.76140213012695	156.0
58.84992599487305	188.0
59.02717208862305	164.0
59.10727310180664	120.0
59.1373176574707	156.0
59.23531723022461	144.0
59.341060638427734	188.0
59.637332916259766	160.0
59.6711540222168	144.0
59.84809112548828	144.0
59.97287368774414	144.0
60.00216293334961	148.0
60.190399169921875	188.0
60.527488708496094	156.0
60.7956657409668	240.0
60.82670974731445	148.0
60.856204986572266	180.0
60.97892379760742	140.0
61.16401672363281	152.0
61.42424011230469	140.0
61.666255950927734	188.0
61.82734298706055	152.0
61.83829879760742	208.0
62.24433135986328	184.0
62.340152740478516	188.0
62.550907135009766	148.0
62.65142822265625	120.0
63.088829040527344	260.0
63.206302642822266	132.0
63.234352111816406	208.0
63.52273178100586	168.0
63.65922546386719	180.0
63.78791809082031	148.0
63.938804626464844	148.0
64.01065826416016	188.0
64.32633209228516	144.0
64.34548950195312	148.0
64.47327423095703	176.0
64.50364685058594	184.0
64.5867919921875	144.0
65.01136016845703	148.0
65.07878112792969	168.0
65.14757537841797	172.0
65.47274780273438	188.0
65.49530029296875	184.0
65.56941223144531	152.0
65.66130828857422	192.0
65.76085662841797	200.0
66.22335815429688	212.0
66.26425170898438	196.0
66.7625732421875	224.0
66.87483215332031	172.0
67.16288757324219	172.0
67.23501586914062	180.0
67.60271453857422	184.0
67.70748901367188	156.0
68.03050231933594	172.0
68.18653869628906	156.0
68.21712493896484	152.0
68.4085922241211	200.0
68.431640625	140.0
68.77168273925781	232.0
68.81654357910156	160.0
68.8339614868164	140.0
68.97935485839844	152.0
69.01993560791016	176.0
69.05872344970703	160.0
69.08353424072266	180.0
69.2126235961914	220.0
69.23912048339844	204.0
69.61058807373047	216.0
69.64380645751953	216.0
69.80548858642578	224.0
69.84825134277344	140.0
69.93477630615234	176.0
70.16226196289062	176.0
70.19744873046875	192.0
70.24971008300781	168.0
70.29402160644531	136.0
70.3637466430664	96.0
70.47007751464844	164.0
71.06277465820312	164.0
71.13326263427734	160.0
71.14669036865234	192.0
71.44583129882812	148.0
71.51145935058594	228.0
71.57205963134766	244.0
71.6663818359375	172.0
71.8079833984375	140.0
72.23821258544922	164.0
72.3551025390625	164.0
72.4384536743164	140.0
72.5180892944336	152.0
72.5486068725586	180.0
72.76066589355469	164.0
72.89484405517578	164.0
72.96453094482422	156.0
72.99173736572266	144.0
73.01554870605469	172.0
73.16698455810547	140.0
73.19593048095703	172.0
73.29983520507812	172.0
73.35096740722656	148.0
73.40381622314453	144.0
73.49934387207031	212.0
73.61370849609375	176.0
73.95806121826172	172.0
74.1406021118164	140.0
74.4373779296875	216.0
74.53872680664062	164.0
75.07235717773438	212.0
75.26908111572266	160.0
75.85037994384766	148.0
75.93759155273438	216.0
76.08977508544922	160.0
76.58189392089844	144.0
76.62370300292969	144.0
76.74047088623047	168.0
76.88002014160156	240.0
76.8957290649414	296.0
77.00993347167969	132.0
77.09638214111328	188.0
77.37467956542969	184.0
77.45980072021484	180.0
77.50347137451172	128.0
77.55335998535156	148.0
77.64627838134766	220.0
78.11253356933594	176.0
78.15033721923828	144.0
78.18914794921875	176.0
78.41458129882812	148.0
78.4656982421875	172.0
78.49214935302734	184.0
78.54682159423828	148.0
78.57504272460938	144.0
78.70918273925781	212.0
78.72331237792969	168.0
78.7551040649414	144.0
78.87525177001953	224.0
79.0167236328125	172.0
79.08219909667969	212.0
79.10520935058594	176.0
79.15478515625	168.0
79.3230972290039	160.0
79.3575439453125	116.0
79.42239379882812	148.0
79.52233123779297	220.0
79.63005828857422	192.0
79.64971160888672	176.0
79.71710205078125	164.0
79.91447448730469	180.0
80.30103302001953	168.0
80.37774658203125	152.0
80.508056640625	240.0
80.63847351074219	164.0
80.95870971679688	156.0
81.2052230834961	184.0
81.60828399658203	164.0
81.9106216430664	156.0
82.14676666259766	184.0
82.19908142089844	140.0
82.42118835449219	152.0
82.6252670288086	200.0
82.98046875	192.0
83.05481719970703	236.0
83.09291076660156	180.0
83.19347381591797	148.0
83.52344512939453	212.0
83.54891204833984	172.0
83.84935760498047	160.0
84.07914733886719	200.0
84.47563934326172	152.0
84.6257095336914	164.0
84.96659851074219	188.0
85.28795623779297	204.0
85.3725357055664	228.0
85.55553436279297	156.0
85.5951919555664	152.0
85.94241333007812	248.0
86.56094360351562	152.0
86.67578887939453	176.0
86.75547790527344	164.0
86.82594299316406	140.0
86.8741683959961	168.0
87.15704345703125	132.0
87.28225708007812	192.0
87.31251525878906	236.0
87.53607177734375	152.0
87.6740493774414	204.0
87.7109603881836	176.0
87.88066101074219	144.0
87.9161148071289	152.0
87.94970703125	148.0
88.57611083984375	148.0
88.74665069580078	152.0
88.90608978271484	164.0
89.55094909667969	204.0
89.59615325927734	192.0
89.84599304199219	176.0
89.89972686767578	148.0
89.97145080566406	212.0
90.02243041992188	184.0
90.05264282226562	148.0
90.07720184326172	144.0
90.24539184570312	176.0
90.32103729248047	168.0
90.64288330078125	156.0
90.65901184082031	172.0
90.908935546875	160.0
91.0513916015625	344.0
91.18753814697266	184.0
91.72047424316406	204.0
92.071533203125	156.0
92.27025604248047	148.0
92.4481430053711	180.0
92.47684478759766	164.0
92.65301513671875	224.0
92.6951675415039	160.0
93.03465270996094	204.0
93.07147216796875	252.0
93.14410400390625	168.0
93.31976318359375	296.0
93.68464660644531	152.0
93.79063415527344	140.0
93.98734283447266	232.0
94.14949035644531	264.0
94.24800872802734	236.0
94.42585754394531	212.0
94.5457992553711	156.0
94.83631134033203	180.0
94.94294738769531	180.0
94.98367309570312	160.0
95.38756561279297	156.0
95.44005584716797	172.0
95.46566009521484	120.0
95.5606460571289	156.0
95.6275863647461	176.0
95.67157745361328	160.0
96.04181671142578	140.0
96.07928466796875	460.0
96.12960815429688	140.0
97.0103759765625	2244.0
97.05829620361328	204.0
97.17778778076172	148.0
97.33150482177734	208.0
97.44934844970703	148.0
97.54171752929688	172.0
97.65182495117188	144.0
97.66621398925781	172.0
97.70201873779297	128.0
97.8311996459961	124.0
98.02193450927734	176.0
98.09485626220703	168.0
98.1954116821289	140.0
98.8261489868164	204.0
98.87899780273438	144.0
99.00768280029297	156.0
99.02626037597656	380.0
99.0423583984375	404.0
99.15428161621094	164.0
99.20978546142578	140.0
99.25340270996094	140.0
99.489501953125	140.0
99.86705017089844	204.0
100.0660400390625	160.0
100.0799789428711	168.0
100.24729919433594	140.0
100.56040954589844	196.0
100.71414947509766	188.0
100.8740005493164	156.0
101.11761474609375	156.0
101.6589126586914	116.0
101.9837646484375	160.0
102.06488037109375	144.0
102.22879028320312	184.0
102.33843231201172	172.0
102.44526672363281	148.0
102.5976333618164	156.0
102.69019317626953	176.0
102.75371551513672	228.0
102.87883758544922	180.0
103.05542755126953	288.0
103.16522979736328	156.0
103.20410919189453	184.0
103.49749755859375	172.0
103.89270782470703	204.0
104.05989074707031	276.0
104.19316864013672	148.0
104.35169219970703	164.0
104.64466857910156	200.0
104.6915054321289	160.0
104.83206176757812	176.0
104.86466979980469	144.0
105.06949615478516	1128.0
105.52880096435547	212.0
105.66922760009766	152.0
106.05626678466797	144.0
106.07456970214844	116.0
106.20768737792969	132.0
106.25633239746094	128.0
106.46248626708984	196.0
107.0654525756836	140.0
107.08861541748047	184.0
107.22367095947266	196.0
107.3061294555664	164.0
107.5206527709961	140.0
107.59083557128906	140.0
107.75605010986328	192.0
107.95034790039062	208.0
108.00418090820312	132.0
108.08203887939453	444.0
108.64835357666016	168.0
108.96598815917969	176.0
109.01089477539062	140.0
109.05950164794922	180.0
109.36317443847656	156.0
109.54125213623047	276.0
109.61516571044922	156.0
110.01567840576172	132.0
110.06564331054688	208.0
110.09587860107422	164.0
110.33525085449219	172.0
110.70769500732422	220.0
110.73605346679688	156.0
110.8606185913086	148.0
111.00624084472656	180.0
111.02719116210938	44232.0
111.27490997314453	164.0
111.35782623291016	196.0
111.46076202392578	144.0
111.58951568603516	152.0
111.69622802734375	140.0
112.02973937988281	2016.0
112.0755615234375	124.0
112.13753509521484	108.0
112.42310333251953	148.0
112.6387710571289	108.0
112.74976348876953	100.0
112.7990493774414	172.0
112.98789978027344	132.0
113.0219955444336	1796.0
113.16291809082031	164.0
113.25398254394531	208.0
113.46800994873047	208.0
113.62918853759766	308.0
113.83295440673828	180.0
113.92328643798828	132.0
114.09004211425781	148.0
114.12193298339844	152.0
114.14319610595703	236.0
114.5624771118164	236.0
114.6016845703125	112.0
114.78326416015625	196.0
114.8950424194336	156.0
115.0060043334961	156.0
115.03375244140625	180.0
115.05494689941406	10988.0
115.33683776855469	160.0
115.48246765136719	152.0
115.54878234863281	140.0
115.72642517089844	144.0
116.0300521850586	156.0
116.06074523925781	2940.0
116.08358001708984	164.0
116.33660125732422	144.0
116.4233169555664	204.0
116.46241760253906	156.0
116.67041015625	140.0
116.74752807617188	144.0
116.9328384399414	200.0
116.996337890625	152.0
117.06895446777344	1800.0
117.14253234863281	144.0
117.2435073852539	188.0
117.42620849609375	160.0
117.6441421508789	216.0
117.8536376953125	148.0
117.8986587524414	148.0
118.07669830322266	224.0
118.09575653076172	144.0
118.13252258300781	160.0
118.26019287109375	148.0
118.45289611816406	164.0
118.58856964111328	164.0
118.6197509765625	144.0
118.71731567382812	160.0
120.0782699584961	164.0
120.20743560791016	180.0
120.42574310302734	148.0
120.61146545410156	152.0
120.89797973632812	148.0
121.01443481445312	240.0
121.04463958740234	180.0
121.08474731445312	220.0
121.47640228271484	188.0
122.06057739257812	176.0
122.09748077392578	1336.0
122.34222412109375	160.0
122.72557830810547	152.0
122.8534927368164	200.0
122.91747283935547	312.0
122.9417495727539	160.0
123.0269546508789	14696.0
123.10071563720703	396.0
123.72309112548828	144.0
123.7972640991211	140.0
124.03033447265625	1124.0
124.06941986083984	116.0
124.11050415039062	444.0
124.26496124267578	192.0
124.28936767578125	204.0
124.56466674804688	144.0
124.83194732666016	168.0
124.90376281738281	128.0
124.97756958007812	220.0
125.04246520996094	13568.0
125.0921630859375	164.0
125.11616516113281	300.0
125.2286148071289	112.0
125.27806091308594	144.0
125.92391967773438	144.0
126.04682159423828	1076.0
126.53237915039062	124.0
126.5490951538086	136.0
126.57850646972656	96.0
126.74659729003906	176.0
126.81668853759766	252.0
126.9255599975586	100.0
127.03872680664062	640.0
127.47362518310547	156.0
127.53797149658203	144.0
128.06626892089844	268.0
128.65835571289062	140.0
128.79383850097656	172.0
128.9678192138672	232.0
128.983642578125	192.0
129.07179260253906	364.0
129.10572814941406	172.0
129.41104125976562	108.0
129.748779296875	144.0
130.00509643554688	192.0
130.03005981445312	212.0
130.086669921875	2424.0
130.1231231689453	228.0
130.23666381835938	160.0
130.3070831298828	192.0
131.02145385742188	224.0
131.08721923828125	208.0
131.1194305419922	164.0
131.16957092285156	180.0
131.2499237060547	164.0
131.3565673828125	176.0
131.6372833251953	152.0
131.76976013183594	140.0
131.9548797607422	156.0
132.07862854003906	104.0
132.20191955566406	168.0
132.2339630126953	148.0
132.3942108154297	188.0
133.01162719726562	152.0
133.2589874267578	152.0
133.30264282226562	164.0
133.65794372558594	164.0
133.8270721435547	144.0
133.8671875	296.0
133.89735412597656	116.0
134.01873779296875	8696.0
134.0967559814453	496.0
134.2326202392578	172.0
134.34332275390625	160.0
134.71498107910156	192.0
134.97805786132812	136.0
135.02613830566406	4160.0
135.32321166992188	196.0
135.55484008789062	188.0
135.598876953125	192.0
135.62059020996094	108.0
136.02928161621094	1328.0
136.08424377441406	136.0
136.63218688964844	140.0
136.68104553222656	164.0
136.74752807617188	216.0
136.85328674316406	148.0
136.9604034423828	144.0
137.04244995117188	4408.0
137.1701202392578	164.0
137.51065063476562	188.0
137.630615234375	164.0
137.6670684814453	140.0
137.76516723632812	168.0
137.92874145507812	172.0
138.04502868652344	468.0
138.07028198242188	144.0
138.2257537841797	232.0
138.330322265625	148.0
138.58926391601562	164.0
138.69520568847656	212.0
138.8811798095703	136.0
139.00669860839844	208.0
139.04225158691406	368.0
139.13185119628906	128.0
139.25491333007812	228.0
140.07376098632812	1064.0
140.10877990722656	160.0
140.17710876464844	140.0
140.30612182617188	152.0
140.50823974609375	164.0
140.74322509765625	144.0
140.98434448242188	588.0
141.07054138183594	424.0
141.12835693359375	200.0
141.19175720214844	232.0
141.3901824951172	164.0
141.4808807373047	200.0
141.8219757080078	148.0
141.9869384765625	124.0
142.04505920410156	196.0
142.08660888671875	16428.0
142.14688110351562	148.0
142.74868774414062	176.0
142.89279174804688	168.0
142.9500732421875	144.0
143.0911102294922	1300.0
143.17904663085938	148.0
143.29324340820312	156.0
143.3977813720703	152.0
144.0133514404297	148.0
144.08740234375	276.0
144.24476623535156	136.0
144.63262939453125	160.0
145.09735107421875	172.0
145.36598205566406	168.0
145.4067840576172	148.0
145.50279235839844	164.0
145.70693969726562	184.0
145.7742156982422	172.0
146.09776306152344	176.0
146.18626403808594	132.0
146.5137481689453	176.0
146.53408813476562	104.0
146.62611389160156	196.0
147.02671813964844	1488.0
147.10369873046875	172.0
147.2509765625	192.0
147.27272033691406	156.0
147.86590576171875	104.0
148.0353240966797	908.0
148.0814208984375	276.0
148.15321350097656	188.0
148.19924926757812	148.0
148.2840576171875	228.0
148.39071655273438	148.0
148.65570068359375	128.0
148.69479370117188	112.0
148.80552673339844	140.0
148.84776306152344	108.0
148.93768310546875	276.0
148.97048950195312	164.0
149.04258728027344	90664.0
149.0982208251953	284.0
149.19622802734375	108.0
149.21929931640625	156.0
149.2606964111328	144.0
149.29026794433594	96.0
149.3461456298828	140.0
149.4164276123047	144.0
149.4704132080078	140.0
149.90631103515625	120.0
150.0457763671875	8956.0
150.089599609375	768.0
150.17481994628906	172.0
150.25123596191406	100.0
150.5727081298828	112.0
150.61740112304688	156.0
150.71047973632812	204.0
150.7957763671875	148.0
150.9482421875	152.0
151.0580596923828	11096.0
151.09576416015625	308.0
151.21022033691406	132.0
151.23977661132812	120.0
151.31820678710938	140.0
151.4267120361328	104.0
151.45985412597656	96.0
151.63003540039062	112.0
151.65185546875	164.0
151.76882934570312	292.0
152.06016540527344	1280.0
152.17599487304688	100.0
152.2268524169922	180.0
152.30593872070312	200.0
152.5925750732422	144.0
152.83114624023438	176.0
152.85330200195312	156.0
153.0558624267578	456.0
153.1117706298828	184.0
153.3118133544922	100.0
153.63185119628906	208.0
153.6811981201172	188.0
153.7452392578125	160.0
153.81939697265625	224.0
153.8909912109375	148.0
154.05018615722656	136.0
154.08534240722656	944.0
154.14321899414062	136.0
154.1676483154297	152.0
154.3134765625	152.0
154.67355346679688	152.0
154.85293579101562	160.0
154.994140625	152.0
155.0677032470703	164.0
155.08592224121094	524.0
155.12548828125	144.0
155.30899047851562	156.0
155.8203582763672	188.0
155.974609375	164.0
156.10107421875	688.0
156.1285858154297	140.0
156.19822692871094	156.0
156.23606872558594	216.0
156.44288635253906	148.0
156.47219848632812	128.0
156.63784790039062	148.0
157.09747314453125	180.0
157.23106384277344	164.0
157.34454345703125	184.0
157.4893798828125	192.0
157.5543212890625	156.0
157.71694946289062	196.0
157.79103088378906	136.0
157.9835662841797	108.0
158.10198974609375	132.0
158.4654998779297	188.0
158.5702362060547	152.0
158.9288330078125	140.0
159.0375213623047	184.0
159.1170654296875	168.0
159.2375946044922	152.0
159.53158569335938	148.0
159.59695434570312	168.0
160.5301513671875	112.0
160.6017608642578	176.0
160.8364715576172	148.0
161.04278564453125	592.0
161.13186645507812	168.0
161.45794677734375	192.0
161.50852966308594	236.0
162.04623413085938	240.0
162.08453369140625	280.0
162.1997833251953	152.0
162.3113250732422	140.0
162.66946411132812	176.0
162.80911254882812	172.0
162.89505004882812	176.0
163.05821228027344	1148.0
163.08511352539062	276.0
163.1440887451172	144.0
163.283935546875	224.0
163.3256378173828	152.0
163.41111755371094	156.0
163.58163452148438	152.0
163.72421264648438	176.0
163.83883666992188	180.0
163.8846893310547	216.0
164.02401733398438	244.0
164.05462646484375	660.0
164.72914123535156	164.0
165.069091796875	2156.0
165.1522674560547	104.0
165.2139129638672	120.0
165.24771118164062	156.0
165.60903930664062	212.0
165.8498992919922	180.0
165.9768524169922	192.0
166.0447540283203	196.0
166.08619689941406	13932.0
166.20362854003906	140.0
166.69166564941406	144.0
167.00115966796875	304.0
167.04734802246094	140.0
167.09234619140625	1568.0
167.52247619628906	96.0
167.57164001464844	368.0
167.75462341308594	256.0
167.89126586914062	164.0
167.9965362548828	128.0
168.0189666748047	160.0
168.10232543945312	16880.0
169.00904846191406	212.0
169.10482788085938	1696.0
169.32041931152344	140.0
169.73504638671875	204.0
170.02467346191406	172.0
170.1050262451172	468.0
170.29818725585938	140.0
170.3498077392578	160.0
170.56060791015625	204.0
170.67239379882812	160.0
170.7842254638672	164.0
170.82064819335938	148.0
170.9585418701172	148.0
171.0269317626953	1124.0
171.10855102539062	176.0
171.1355438232422	144.0
171.33348083496094	164.0
171.41424560546875	188.0
171.72447204589844	140.0
171.9248046875	132.0
172.03330993652344	1052.0
172.1811981201172	144.0
172.6411590576172	148.0
173.0403594970703	1140.0
173.28720092773438	192.0
174.0467987060547	792.0
174.1990203857422	136.0
174.5186309814453	160.0
174.85008239746094	160.0
175.0413055419922	328.0
175.05819702148438	544.0
175.36102294921875	164.0
175.45591735839844	144.0
175.6341094970703	188.0
176.05316162109375	564.0
176.44857788085938	152.0
176.51576232910156	184.0
176.94351196289062	148.0
177.0696563720703	228.0
177.33799743652344	152.0
178.07408142089844	496.0
178.68963623046875	172.0
178.7288818359375	128.0
178.7667999267578	140.0
178.88656616210938	156.0
178.99720764160156	136.0
179.08558654785156	2372.0
179.22479248046875	160.0
179.6407012939453	192.0
180.0003662109375	152.0
180.02362060546875	152.0
180.0963897705078	2968.0
180.76014709472656	144.0
180.92074584960938	188.0
180.98500061035156	204.0
181.1006317138672	3800.0
181.24212646484375	420.0
181.29840087890625	204.0
181.40293884277344	184.0
181.53811645507812	148.0
182.04800415039062	112.0
182.1067657470703	636.0
182.2118682861328	144.0
182.26980590820312	160.0
182.3097381591797	144.0
182.5413055419922	172.0
183.11065673828125	264.0
183.8559112548828	216.0
183.88829040527344	168.0
184.0016632080078	152.0
184.033935546875	1876.0
184.1031951904297	120.0
184.1304473876953	184.0
184.19979858398438	108.0
184.55282592773438	160.0
184.5933837890625	168.0
184.67181396484375	140.0
185.0427703857422	5952.0
185.76498413085938	172.0
186.04759216308594	1604.0
186.10623168945312	124.0
186.3606719970703	156.0
187.05691528320312	3560.0
187.4517822265625	140.0
188.0657196044922	1328.0
188.2462921142578	172.0
188.39138793945312	136.0
188.61988830566406	208.0
188.83746337890625	104.0
189.07481384277344	884.0
189.10887145996094	180.0
189.16970825195312	176.0
189.8502655029297	124.0
189.87387084960938	188.0
189.99354553222656	156.0
190.0623321533203	372.0
190.3843231201172	148.0
190.7112579345703	148.0
190.84596252441406	156.0
190.8789520263672	160.0
191.00082397460938	316.0
191.04904174804688	200.0
191.06814575195312	252.0
191.25477600097656	232.0
191.3040771484375	108.0
191.5848846435547	164.0
191.6992645263672	188.0
192.00209045410156	144.0
192.08641052246094	380.0
192.11834716796875	140.0
192.4509735107422	156.0
192.55999755859375	144.0
192.85562133789062	200.0
193.0164794921875	420.0
193.06484985351562	176.0
193.18467712402344	184.0
193.21510314941406	156.0
193.82421875	140.0
193.99530029296875	160.0
194.01953125	188.0
194.11558532714844	144.0
194.23452758789062	184.0
194.5231170654297	152.0
194.689697265625	180.0
195.05088806152344	152.0
195.10369873046875	160.0
195.44300842285156	148.0
195.50701904296875	196.0
195.61000061035156	212.0
195.9608917236328	140.0
196.06881713867188	148.0
196.33531188964844	160.0
196.48782348632812	140.0
196.81716918945312	144.0
196.8367156982422	232.0
197.0433349609375	1124.0
197.06886291503906	176.0
197.09927368164062	304.0
197.2850799560547	116.0
197.47666931152344	152.0
197.56898498535156	156.0
197.59695434570312	168.0
198.015625	156.0
198.05038452148438	10416.0
198.10366821289062	152.0
198.1271514892578	132.0
198.16043090820312	188.0
198.1989288330078	204.0
198.29701232910156	148.0
199.05738830566406	10724.0
199.14495849609375	124.0
199.4924774169922	164.0
200.0609130859375	1772.0
200.11663818359375	156.0
200.14195251464844	148.0
200.29483032226562	188.0
200.4496612548828	180.0
200.9318084716797	240.0
201.07354736328125	3052.0
201.38665771484375	124.0
201.43995666503906	220.0
201.45973205566406	156.0
201.87521362304688	160.0
202.03359985351562	172.0
202.0753936767578	1164.0
202.54986572265625	120.0
202.59979248046875	160.0
202.70462036132812	156.0
202.75279235839844	196.0
202.8932342529297	204.0
202.96539306640625	180.0
202.9984588623047	176.0
203.08958435058594	160.0
203.23770141601562	192.0
204.00796508789062	1608.0
204.08126831054688	452.0
204.1023712158203	152.0
204.14666748046875	168.0
204.4738311767578	224.0
204.91688537597656	192.0
205.0127410888672	1300.0
205.06675720214844	300.0
205.33421325683594	152.0
206.02328491210938	436.0
206.09625244140625	120.0
206.15304565429688	204.0
206.9315643310547	248.0
207.0301971435547	1252.0
207.71083068847656	104.0
207.85162353515625	188.0
208.02720642089844	156.0
208.18748474121094	156.0
208.4154510498047	176.0
208.7310791015625	140.0
209.02093505859375	272.0
209.16213989257812	144.0
209.30320739746094	244.0
209.50355529785156	184.0
209.5653076171875	280.0
210.0260467529297	152.0
210.0496368408203	148.0
210.1246337890625	160.0
210.25677490234375	176.0
210.77137756347656	192.0
211.0651092529297	220.0
211.4582977294922	120.0
211.54127502441406	204.0
211.7288818359375	160.0
211.76229858398438	128.0
212.03887939453125	208.0
212.0637664794922	424.0
212.13815307617188	144.0
212.2563018798828	148.0
212.49122619628906	172.0
212.51734924316406	164.0
212.59568786621094	180.0
212.6521453857422	160.0
212.68321228027344	128.0
212.89532470703125	244.0
213.01150512695312	128.0
213.0736083984375	19792.0
213.478271484375	248.0
213.82940673828125	116.0
214.01129150390625	192.0
214.08094787597656	20668.0
214.23150634765625	152.0
214.38560485839844	128.0
214.63482666015625	216.0
214.66770935058594	116.0
214.77597045898438	152.0
214.8555450439453	164.0
215.0832061767578	2712.0
215.25851440429688	168.0
215.37025451660156	160.0
215.60760498046875	152.0
215.74786376953125	124.0
215.78396606445312	196.0
216.07638549804688	688.0
216.2451629638672	168.0
216.50796508789062	200.0
216.59800720214844	124.0
216.7187042236328	216.0
216.8105926513672	160.0
217.01429748535156	2640.0
217.09071350097656	300.0
217.59288024902344	164.0
217.66232299804688	128.0
218.02108764648438	1448.0
218.09765625	132.0
218.49806213378906	152.0
218.5951690673828	192.0
218.76292419433594	168.0
219.03024291992188	4572.0
219.14071655273438	144.0
219.39039611816406	172.0
220.03219604492188	716.0
220.09756469726562	168.0
220.41453552246094	228.0
220.6315155029297	112.0
220.87496948242188	116.0
221.04498291015625	1748.0
221.60694885253906	140.0
221.81439208984375	152.0
222.02645874023438	160.0
222.04830932617188	408.0
222.13914489746094	108.0
222.48480224609375	168.0
223.04452514648438	236.0
223.57862854003906	148.0
223.98780822753906	192.0
224.0460968017578	172.0
224.74374389648438	164.0
224.7765655517578	168.0
226.19618225097656	216.0
226.2949676513672	188.0
227.1029510498047	128.0
227.38909912109375	148.0
228.48887634277344	192.0
228.74911499023438	152.0
229.60337829589844	212.0
230.0226593017578	416.0
230.096435546875	148.0
230.11814880371094	160.0
230.15257263183594	184.0
230.20391845703125	204.0
230.54527282714844	140.0
230.74778747558594	156.0
230.80523681640625	196.0
230.8385009765625	148.0
231.0301971435547	1368.0
231.11126708984375	200.0
231.4588165283203	184.0
231.69989013671875	124.0
231.87686157226562	200.0
232.03773498535156	8380.0
232.11557006835938	1072.0
232.206298828125	124.0
232.50364685058594	172.0
232.57928466796875	100.0
233.04176330566406	1428.0
233.11790466308594	392.0
233.23052978515625	192.0
233.35231018066406	120.0
234.03424072265625	1000.0
234.13043212890625	424.0
235.0327911376953	160.0
235.67327880859375	156.0
235.75404357910156	176.0
235.871826171875	112.0
236.07093811035156	204.0
236.14744567871094	192.0
236.19964599609375	140.0
237.0817108154297	128.0
237.42860412597656	156.0
237.47154235839844	172.0
237.58897399902344	128.0
237.75686645507812	172.0
238.09271240234375	508.0
238.78298950195312	164.0
239.4385223388672	216.0
239.51480102539062	156.0
240.08798217773438	156.0
240.2399139404297	168.0
240.46824645996094	160.0
240.69052124023438	156.0
241.02410888671875	236.0
241.5280303955078	148.0
241.63011169433594	160.0
241.657958984375	164.0
242.30502319335938	184.0
242.39488220214844	152.0
243.01048278808594	156.0
243.03672790527344	180.0
243.54896545410156	164.0
243.66468811035156	188.0
243.82546997070312	184.0
244.1396942138672	376.0
244.66580200195312	124.0
244.72756958007812	212.0
244.96905517578125	108.0
245.04405212402344	1812.0
245.14016723632812	104.0
245.21340942382812	148.0
245.6001434326172	188.0
245.92056274414062	156.0
246.0499267578125	364.0
246.15621948242188	264.0
246.31973266601562	96.0
246.36622619628906	124.0
246.37428283691406	144.0
246.43942260742188	132.0
246.56573486328125	212.0
246.67283630371094	104.0
246.7259521484375	152.0
246.79283142089844	152.0
246.83958435058594	160.0
246.8741455078125	324.0
246.91627502441406	244.0
246.9407196044922	208.0
246.9746551513672	200.0
247.00079345703125	296.0
247.0622100830078	169816.0
247.17425537109375	192.0
247.3003387451172	180.0
247.32997131347656	224.0
247.3702850341797	148.0
247.3925018310547	168.0
247.47132873535156	140.0
247.5094757080078	128.0
247.576904296875	628.0
247.85244750976562	160.0
247.8888397216797	144.0
247.92730712890625	140.0
247.95913696289062	132.0
247.98251342773438	184.0
248.02293395996094	200.0
248.06427001953125	23056.0
248.1858367919922	148.0
248.27432250976562	164.0
248.30331420898438	100.0
248.43609619140625	124.0
248.5497283935547	120.0
248.65811157226562	184.0
248.71986389160156	96.0
248.755126953125	116.0
248.83587646484375	184.0
248.9165802001953	208.0
248.9946746826172	112.0
249.05801391601562	14048.0
249.284912109375	120.0
249.3046112060547	156.0
249.3500213623047	124.0
249.46224975585938	136.0
249.50933837890625	172.0
249.71075439453125	116.0
249.78919982910156	248.0
249.85403442382812	124.0
250.0115509033203	140.0
250.06198120117188	1720.0
250.29476928710938	164.0
250.54531860351562	124.0
251.06396484375	124.0
251.1046600341797	148.0
251.70425415039062	148.0
251.93698120117188	96.0
251.99484252929688	152.0
252.1002197265625	184.0
252.23370361328125	116.0
252.98471069335938	140.0
253.0417022705078	436.0
253.34033203125	120.0
253.47879028320312	156.0
253.53985595703125	224.0
253.5802001953125	152.0
253.88772583007812	156.0
254.70339965820312	140.0
254.8729705810547	96.0
255.1959686279297	212.0
255.4883575439453	124.0
255.75904846191406	184.0
256.21441650390625	168.0
256.28131103515625	148.0
257.4519958496094	204.0
258.02392578125	184.0
258.1742248535156	208.0
258.2381896972656	184.0
259.4357604980469	156.0
259.5223083496094	140.0
260.11663818359375	592.0
260.2193298339844	128.0
260.2827453613281	176.0
260.4176330566406	140.0
260.90606689453125	180.0
261.0443115234375	156.0
261.1022033691406	160.0
261.7312316894531	200.0
261.82952880859375	152.0
262.0227966308594	140.0
262.1116638183594	180.0
262.2257995605469	204.0
263.02569580078125	156.0
263.0960693359375	1668.0
263.3324279785156	144.0
263.77508544921875	160.0
263.99169921875	204.0
264.1034851074219	664.0
264.25048828125	152.0
264.4432678222656	160.0
264.8687744140625	160.0
265.0283508300781	96.0
265.0943908691406	220.0
265.1830749511719	144.0
265.93621826171875	152.0
265.97125244140625	192.0
266.07513427734375	176.0
266.1011047363281	148.0
266.1658935546875	96.0
268.0414733886719	112.0
268.4666442871094	152.0
268.6851806640625	164.0
270.7509765625	144.0
271.0982360839844	144.0
271.1572265625	164.0
271.3374938964844	156.0
271.46539306640625	168.0
271.5244140625	164.0
271.9115295410156	152.0
272.9562072753906	184.0
273.1498107910156	124.0
273.3904113769531	188.0
274.2236328125	172.0
275.5567626953125	208.0
275.80792236328125	172.0
276.0625	156.0
276.1120910644531	144.0
276.32708740234375	288.0
277.11175537109375	260.0
277.2178039550781	152.0
277.9158020019531	132.0
278.0103454589844	144.0
278.0462951660156	144.0
278.12176513671875	47080.0
278.34979248046875	116.0
278.6592102050781	108.0
278.83843994140625	104.0
279.0458984375	192.0
279.123291015625	7636.0
279.17547607421875	184.0
279.6232604980469	184.0
279.6495056152344	228.0
279.6732177734375	152.0
280.1178894042969	1532.0
280.2970886230469	96.0
280.66729736328125	168.0
280.88983154296875	120.0
280.9519958496094	176.0
280.9899597167969	236.0
281.12103271484375	496.0
281.1785583496094	164.0
281.2853698730469	244.0
281.50146484375	160.0
281.73284912109375	208.0
281.7862854003906	192.0
281.9350280761719	156.0
282.3521728515625	96.0
283.3352966308594	140.0
283.3822021484375	180.0
284.2718811035156	144.0
285.0195617675781	160.0
286.4056091308594	144.0
286.71893310546875	196.0
287.0863952636719	168.0
287.65997314453125	160.0
288.0280456542969	164.0
288.105712890625	148.0
288.3270568847656	136.0
289.655029296875	152.0
289.8786315917969	152.0
290.10498046875	108.0
290.5506286621094	156.0
290.6913146972656	184.0
291.5380554199219	164.0
291.7555847167969	172.0
292.0302429199219	108.0
292.2063293457031	148.0
292.3733825683594	188.0
293.59423828125	140.0
295.89300537109375	200.0
295.98626708984375	148.0
296.1198425292969	144.0
296.30780029296875	140.0
296.4482116699219	140.0
297.23052978515625	148.0
297.56689453125	184.0
297.9000244140625	140.0
298.6355895996094	156.0
298.9073791503906	160.0
299.3169860839844	160.0
300.0784606933594	144.0
300.20947265625	164.0
300.4405822753906	160.0
301.1585693359375	152.0
301.3942565917969	196.0
301.49713134765625	140.0
301.70452880859375	224.0
302.2925109863281	152.0
302.97113037109375	196.0
303.2102355957031	176.0
303.4828186035156	100.0
304.4903869628906	188.0
305.7732849121094	160.0
306.2015075683594	168.0
306.2751159667969	128.0
306.593994140625	176.0
306.8565979003906	140.0
306.9402770996094	188.0
307.15301513671875	184.0
308.16192626953125	148.0
308.39605712890625	160.0
308.5323791503906	180.0
308.74566650390625	156.0
310.14215087890625	124.0
310.6826171875	188.0
310.710693359375	204.0
311.4970397949219	172.0
311.5931396484375	156.0
311.6715087890625	280.0
311.90814208984375	200.0
311.9327697753906	144.0
312.4320983886719	148.0
312.8649597167969	192.0
313.1954650878906	140.0
313.2421875	104.0
313.6329040527344	140.0
314.21826171875	144.0
314.8465576171875	152.0
314.87127685546875	168.0
315.89630126953125	168.0
317.2313232421875	156.0
317.5965576171875	152.0
318.03436279296875	124.0
318.0989685058594	352.0
318.84747314453125	132.0
319.1167907714844	184.0
319.7425231933594	172.0
319.8243713378906	148.0
320.422607421875	160.0
320.63641357421875	212.0
320.9750671386719	160.0
321.1070251464844	140.0
321.5244445800781	184.0
321.58154296875	196.0
321.6814880371094	176.0
322.3003234863281	112.0
322.8247985839844	180.0
323.1466979980469	208.0
323.4329833984375	192.0
324.7515563964844	172.0
325.24310302734375	152.0
325.8150329589844	164.0
326.1590270996094	220.0
326.7847595214844	176.0
327.0690612792969	168.0
327.6059875488281	188.0
327.6776428222656	168.0
328.8965148925781	168.0
329.0228576660156	204.0
330.0706481933594	140.0
330.1358337402344	300.0
330.4866027832031	156.0
331.1418151855469	160.0
331.16717529296875	140.0
332.149169921875	432.0
332.4759826660156	144.0
332.94427490234375	148.0
333.1473388671875	132.0
333.4825134277344	192.0
334.0164794921875	148.0
334.04193115234375	156.0
334.17291259765625	240.0
334.8754577636719	204.0
336.3959655761719	152.0
337.362548828125	172.0
337.53948974609375	144.0
337.83941650390625	180.0
338.34075927734375	144.0
338.45062255859375	168.0
338.6622009277344	128.0
338.8102111816406	128.0
338.8461608886719	140.0
339.0550231933594	144.0
339.0806884765625	240.0
339.3592834472656	148.0
340.25079345703125	196.0
341.1256408691406	120.0
341.82025146484375	144.0
342.1514892578125	184.0
342.8255310058594	188.0
344.0279235839844	164.0
344.1829833984375	324.0
344.3619079589844	116.0
344.5006103515625	164.0
345.75872802734375	184.0
346.1327209472656	136.0
346.3131103515625	156.0
346.3643798828125	104.0
346.77252197265625	180.0
347.417724609375	208.0
347.60906982421875	140.0
348.0486755371094	164.0
348.3123474121094	164.0
348.8474426269531	168.0
349.13958740234375	172.0
349.2862243652344	192.0
350.0119323730469	164.0
350.4663391113281	188.0
350.9956359863281	176.0
351.0478515625	152.0
351.50665283203125	140.0
351.685791015625	140.0
351.9471130371094	160.0
352.1487731933594	156.0
352.2971496582031	132.0
353.75286865234375	140.0
353.9775085449219	156.0
354.24200439453125	136.0
354.4744567871094	168.0
357.4082946777344	160.0
357.7884521484375	148.0
357.9051513671875	152.0
358.078369140625	160.0
358.12713623046875	1716.0
358.6284484863281	196.0
358.84332275390625	168.0
359.1271667480469	300.0
359.6015319824219	196.0
359.62945556640625	120.0
360.1221923828125	196.0
360.16790771484375	192.0
360.2434387207031	156.0
361.0069274902344	160.0
361.1165771484375	160.0
361.98321533203125	224.0
362.14605712890625	184.0
362.9570617675781	200.0
363.79931640625	140.0
364.4829406738281	192.0
365.6427917480469	168.0
366.3832092285156	96.0
367.5328674316406	176.0
368.96893310546875	268.0
369.2786865234375	144.0
369.3819580078125	156.0
369.5732421875	164.0
369.62811279296875	212.0
369.7684020996094	160.0
370.2159729003906	132.0
370.46527099609375	228.0
370.51123046875	172.0
370.9289245605469	156.0
371.4312438964844	148.0
371.5057067871094	168.0
371.6685791015625	128.0
372.50738525390625	116.0
372.70965576171875	156.0
372.81182861328125	128.0
372.8650207519531	160.0
373.26318359375	192.0
373.2960510253906	212.0
373.3587951660156	124.0
373.4206848144531	204.0
373.4792785644531	184.0
373.5486755371094	188.0
373.5880432128906	128.0
373.6958312988281	164.0
373.7730712890625	160.0
373.82635498046875	112.0
374.0329895019531	256.0
374.1169738769531	192.0
374.15771484375	472.0
374.22015380859375	188.0
374.5303649902344	104.0
374.5952453613281	168.0
374.6382141113281	152.0
374.6988830566406	240.0
374.7508239746094	120.0
374.79632568359375	120.0
374.8277587890625	180.0
374.88800048828125	200.0
375.0057678222656	196.0
375.0771179199219	216.0
375.10491943359375	368.0
375.16046142578125	468.0
375.2215576171875	168.0
375.29132080078125	536.0
375.3235778808594	192.0
375.3671569824219	268.0
375.41845703125	176.0
375.48291015625	188.0
375.5157165527344	348.0
375.60186767578125	304.0
375.66754150390625	200.0
375.7270812988281	564.0
375.7630615234375	440.0
375.82659912109375	248.0
375.878662109375	184.0
375.91845703125	320.0
375.9544372558594	196.0
375.9804382324219	796.0
376.0121765136719	332.0
376.0871276855469	980.0
376.1434020996094	234112.0
376.2846984863281	240.0
376.4143981933594	296.0
376.5054016113281	1444.0
376.5641784667969	860.0
376.6174621582031	800.0
376.73046875	1176.0
376.7811279296875	13264.0
376.8231506347656	656.0
376.8817138671875	288.0
376.9492492675781	256.0
376.9966125488281	392.0
377.0364074707031	236.0
377.0658874511719	456.0
377.1450500488281	143820.0
377.38140869140625	220.0
377.426025390625	320.0
377.47772216796875	304.0
377.5621337890625	240.0
377.68634033203125	284.0
377.7218322753906	336.0
377.77911376953125	1360.0
377.8150329589844	192.0
377.9068908691406	136.0
377.99951171875	148.0
378.04608154296875	284.0
378.08380126953125	284.0
378.13934326171875	82396.0
378.2425842285156	176.0
378.3284606933594	108.0
378.3896484375	188.0
378.4634704589844	128.0
378.5551452636719	152.0
378.595703125	236.0
378.6477355957031	316.0
378.70245361328125	236.0
378.78057861328125	328.0
378.82781982421875	296.0
378.91156005859375	248.0
378.9791564941406	116.0
379.0489196777344	304.0
379.1399841308594	9048.0
379.1986083984375	288.0
379.2555236816406	148.0
379.3175354003906	240.0
379.3866882324219	364.0
379.44793701171875	400.0
379.5362243652344	180.0
379.5676574707031	292.0
379.6216735839844	368.0
379.6856384277344	272.0
379.79736328125	144.0
379.8323974609375	104.0
379.86297607421875	116.0
379.9332580566406	152.0
380.0147705078125	272.0
380.1441345214844	204.0
380.2192077636719	132.0
380.2574157714844	208.0
380.3086853027344	152.0
380.387939453125	228.0
380.4501953125	100.0
380.5174255371094	292.0
380.58367919921875	160.0
380.6267395019531	132.0
380.6950988769531	208.0
380.7258605957031	196.0
380.82745361328125	180.0
381.1070251464844	112.0
381.16363525390625	124.0
381.4952697753906	196.0
381.5218811035156	140.0
381.9039611816406	112.0
382.5517578125	104.0
382.91650390625	116.0
382.98748779296875	108.0
383.8214111328125	116.0
390.3677673339844	116.0
390.5036926269531	176.0
391.4701843261719	104.0
392.29248046875	108.0
392.86962890625	116.0
394.5652160644531	144.0
395.60308837890625	124.0
400.9598693847656	140.0
401.0731201171875	96.0
410.239013671875	144.0
425.07244873046875	144.0
458.383056640625	116.0
464.875732421875	148.0
502.2987060546875	148.0
510.1396179199219	152.0
514.9578857421875	136.0
524.1272583007812	108.0
527.8447875976562	160.0
560.550537109375	152.0
816.9246215820312	160.0
919.71923828125	144.0
932.9549560546875	232.0
1004.8312377929688	160.0
1085.39208984375	140.0
1085.674072265625	156.0
1103.888916015625	168.0
1189.041748046875	148.0
1201.9998779296875	184.0
1241.16943359375	168.0
1265.612548828125	144.0
1282.520263671875	176.0
1339.5269775390625	160.0
1348.282470703125	148.0
1355.102294921875	152.0
1358.5845947265625	176.0
1358.78271484375	176.0
1381.0145263671875	172.0
1391.1585693359375	144.0
1402.9495849609375	144.0
1409.3455810546875	164.0
1419.6080322265625	184.0
1447.928955078125	252.0
1459.49365234375	164.0
1464.196533203125	180.0
1465.1943359375	188.0
1473.4107666015625	204.0
1473.8997802734375	216.0
1487.0869140625	172.0
1493.0025634765625	172.0
1493.69482421875	172.0
1494.51025390625	168.0
1497.26611328125	152.0
1497.967041015625	160.0
1501.728515625	188.0
1503.9891357421875	156.0
1509.760498046875	164.0
1520.26513671875	148.0
1520.591064453125	176.0
1522.91259765625	212.0
1529.0079345703125	176.0
1537.487060546875	184.0
1538.90771484375	208.0
1549.6385498046875	156.0
1552.9151611328125	164.0
1555.849853515625	188.0
1561.9163818359375	168.0
1568.8853759765625	152.0
1578.9765625	200.0
1582.10986328125	216.0
1583.725341796875	200.0
1586.1181640625	156.0
1590.11572265625	144.0
1590.3775634765625	180.0
1593.109130859375	160.0
1593.4508056640625	148.0
1595.6761474609375	156.0
1597.0836181640625	212.0
1597.552978515625	156.0
1599.9403076171875	200.0
1602.472900390625	144.0
1620.5535888671875	168.0
1622.1805419921875	196.0
1624.305419921875	208.0
1627.24267578125	200.0
1629.740478515625	144.0
1633.4385986328125	224.0
1638.3570556640625	168.0
1641.56494140625	192.0
1644.017333984375	172.0
1646.770263671875	160.0
1648.9921875	140.0
1650.4876708984375	148.0
1654.5006103515625	140.0
1656.7762451171875	152.0
1659.548095703125	236.0
1659.710205078125	160.0
1660.3995361328125	140.0
1661.8839111328125	216.0
1662.8983154296875	192.0
1674.8341064453125	200.0
1676.10498046875	228.0
1687.147705078125	160.0
1687.630126953125	140.0
1693.60400390625	216.0
1698.4482421875	152.0
1702.7490234375	140.0
1710.3790283203125	188.0
1720.8155517578125	140.0
1721.96337890625	148.0
1722.3597412109375	156.0
1731.341796875	208.0
1732.352294921875	192.0
1732.4930419921875	168.0
1732.9156494140625	144.0
1735.2694091796875	148.0
1748.6932373046875	236.0
1749.5755615234375	156.0
1751.2825927734375	168.0
1756.1585693359375	152.0
1759.37109375	220.0
1761.5506591796875	148.0
1761.6175537109375	140.0
1762.4849853515625	120.0
1765.353515625	156.0
1772.183837890625	200.0
1774.0108642578125	156.0
1775.151123046875	172.0
1775.679443359375	244.0
1775.8974609375	168.0
1776.4007568359375	160.0
1777.944580078125	176.0
1778.2047119140625	148.0
1781.748291015625	176.0
1782.0423583984375	208.0
1783.8155517578125	164.0
1785.0682373046875	188.0
1787.1290283203125	172.0
1791.330078125	152.0
1792.75390625	140.0
1793.5545654296875	220.0
1794.8697509765625	180.0
1803.03271484375	144.0
1804.479248046875	160.0
1805.0784912109375	256.0
1806.8377685546875	184.0
1809.2835693359375	152.0
1809.6221923828125	220.0
1811.12109375	232.0
1811.2821044921875	152.0
1812.4173583984375	148.0
1813.5020751953125	156.0
1816.2576904296875	192.0
1816.342529296875	176.0
1816.8514404296875	208.0
1821.3929443359375	148.0
1823.9166259765625	156.0
1824.069580078125	220.0
1836.5352783203125	192.0
1841.0245361328125	176.0
1842.61328125	252.0
1843.7838134765625	156.0
1845.5789794921875	196.0
1847.7342529296875	172.0
1848.726806640625	208.0
1850.567138671875	180.0
1851.44921875	180.0
1852.6451416015625	124.0
1853.5565185546875	160.0
1854.1649169921875	156.0
1854.3448486328125	152.0
1854.593505859375	140.0
1856.7711181640625	140.0
1857.0198974609375	156.0
1857.62890625	144.0
1863.0198974609375	200.0
1863.6728515625	196.0
1865.168212890625	176.0
1865.4088134765625	192.0
1866.3631591796875	156.0
1868.3670654296875	172.0
1868.9693603515625	184.0
1870.5787353515625	160.0
1870.6820068359375	180.0
1876.1004638671875	212.0
1876.2298583984375	148.0
1877.1072998046875	172.0
1882.208984375	140.0
1883.2625732421875	140.0
1883.6771240234375	180.0
1883.8153076171875	144.0
1885.0594482421875	176.0
1891.095947265625	144.0
1895.1746826171875	220.0
1896.5526123046875	168.0
1896.907958984375	184.0
1898.529296875	292.0
1900.619873046875	176.0
1901.036376953125	140.0
1904.3701171875	188.0
1909.5936279296875	144.0
1911.5423583984375	176.0
1916.1744384765625	144.0
1916.579833984375	156.0
1916.8541259765625	168.0
1917.7691650390625	160.0
1919.059326171875	164.0
1919.120361328125	208.0
1922.84521484375	160.0
1923.39501953125	148.0
1924.69580078125	160.0
1925.2110595703125	144.0
1928.618408203125	160.0
1930.4193115234375	156.0
1931.1627197265625	172.0
1931.79248046875	192.0
1934.041259765625	156.0
1935.8360595703125	164.0
1936.1739501953125	260.0
1938.4154052734375	188.0
1943.3392333984375	176.0
1944.3482666015625	284.0
1945.4893798828125	140.0
1946.5078125	144.0
1949.03759765625	164.0
1949.22216796875	140.0
1949.3802490234375	148.0
1954.2252197265625	160.0
1954.98193359375	140.0
1956.8656005859375	140.0
1957.95751953125	188.0
1960.203857421875	164.0
1962.707275390625	240.0
1965.3798828125	216.0
1966.412353515625	180.0
1966.9066162109375	156.0
1967.1890869140625	200.0
1967.5245361328125	160.0
1969.537841796875	188.0
1975.893798828125	144.0
1976.415771484375	184.0
1980.798095703125	160.0
1981.2586669921875	144.0
1981.5745849609375	236.0
1982.153564453125	248.0
1988.1392822265625	188.0
1988.43212890625	176.0
1989.9056396484375	176.0
1989.9766845703125	156.0
1993.2808837890625	200.0
1994.0469970703125	232.0
1996.7301025390625	216.0
1999.0430908203125	152.0
1999.1142578125	140.0
2002.6754150390625	196.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079028
PEPMASS=305.251343
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_G2_H11_BC7_01_15721.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
INCHI=InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1
INCHIAUX=WYZDXEKUWRCKOB-YDSAWKJFSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079028
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079028
SCANS=1858
46.855369567871094	140.0
47.72035598754883	156.0
50.089134216308594	148.0
59.6589241027832	148.0
59.962154388427734	216.0
73.23688507080078	176.0
75.36762237548828	184.0
81.57242584228516	156.0
84.40989685058594	180.0
85.7592544555664	144.0
89.14281463623047	152.0
90.9084701538086	192.0
91.0584487915039	172.0
92.46929931640625	148.0
93.07817840576172	220.0
94.22686767578125	220.0
95.08683776855469	368.0
95.11767578125	192.0
96.08679962158203	292.0
96.33473205566406	168.0
99.08154296875	620.0
100.87012481689453	172.0
101.00009155273438	148.0
103.07688903808594	172.0
105.0682144165039	292.0
105.2646484375	220.0
106.71124267578125	160.0
107.08536529541016	1300.0
109.06153869628906	196.0
109.10041809082031	208.0
109.11783599853516	164.0
109.36954498291016	164.0
110.07420349121094	192.0
110.78741455078125	164.0
111.08089447021484	160.0
117.07075500488281	144.0
119.0868911743164	436.0
119.56906127929688	156.0
120.09083557128906	172.0
121.10137939453125	824.0
121.38004302978516	152.0
122.10253143310547	164.0
122.14652252197266	188.0
123.01251983642578	164.0
123.11515045166016	172.0
125.05843353271484	152.0
128.0584259033203	152.0
128.77366638183594	176.0
130.41859436035156	160.0
131.08705139160156	264.0
133.1018829345703	640.0
135.0792694091797	188.0
135.11767578125	420.0
138.91473388671875	176.0
139.11184692382812	140.0
143.08290100097656	300.0
144.10018920898438	156.0
145.10128784179688	1080.0
147.11798095703125	1320.0
147.1497344970703	176.0
148.12045288085938	304.0
149.13377380371094	144.0
150.85215759277344	148.0
151.1120147705078	188.0
154.1282958984375	188.0
155.21493530273438	160.0
155.5051727294922	140.0
156.09031677246094	160.0
157.10137939453125	508.0
157.13009643554688	220.0
159.11813354492188	1508.0
160.1199188232422	256.0
161.1327362060547	1004.0
163.14675903320312	144.0
165.13023376464844	128.0
169.10372924804688	208.0
169.79229736328125	284.0
171.11376953125	336.0
172.1187286376953	144.0
173.13291931152344	904.0
174.13368225097656	164.0
175.15028381347656	296.0
175.1741485595703	216.0
176.1536102294922	196.0
176.59950256347656	152.0
177.1290740966797	268.0
183.11203002929688	152.0
185.13063049316406	432.0
186.14292907714844	180.0
187.14950561523438	344.0
188.1484832763672	148.0
189.16397094726562	548.0
190.16616821289062	148.0
191.13743591308594	144.0
193.15447998046875	152.0
197.45452880859375	144.0
199.15081787109375	524.0
199.27938842773438	160.0
200.1548309326172	300.0
201.1627655029297	116.0
202.16964721679688	144.0
204.19241333007812	172.0
204.87269592285156	148.0
205.15591430664062	244.0
205.1975860595703	172.0
213.16653442382812	1000.0
214.16952514648438	268.0
215.168212890625	116.0
217.199951171875	156.0
218.16600036621094	176.0
225.16366577148438	344.0
226.60072326660156	144.0
227.18008422851562	1132.0
228.17587280273438	168.0
229.13943481445312	160.0
229.19415283203125	3820.0
230.1971435546875	436.0
230.82061767578125	188.0
231.17678833007812	180.0
233.1912841796875	212.0
241.1881866455078	152.0
242.1008758544922	180.0
244.0526885986328	172.0
245.09539794921875	156.0
245.19822692871094	152.0
246.92784118652344	184.0
247.20797729492188	720.0
250.9315185546875	140.0
256.1955871582031	184.0
263.89825439453125	124.0
267.2112121582031	148.0
267.5709228515625	172.0
269.2275695800781	7908.0
270.230712890625	1260.0
270.7120056152344	144.0
271.232666015625	340.0
277.2280578613281	160.0
279.05035400390625	208.0
282.1873474121094	204.0
283.2954406738281	160.0
284.6739196777344	180.0
287.01300048828125	156.0
287.06988525390625	156.0
287.2356872558594	4600.0
287.67718505859375	156.0
288.24127197265625	628.0
289.2475891113281	160.0
294.81671142578125	184.0
295.1106872558594	188.0
295.1448974609375	160.0
303.1390686035156	120.0
303.376953125	180.0
304.2720031738281	244.0
304.8360595703125	96.0
305.03277587890625	176.0
305.0675354003906	208.0
305.130126953125	152.0
305.1642150878906	512.0
305.24847412109375	26916.0
305.6600341796875	136.0
306.1239929199219	156.0
306.18310546875	124.0
306.2506408691406	3924.0
307.1568603515625	140.0
307.25250244140625	632.0
307.982177734375	108.0
308.0755920410156	236.0
308.1581115722656	116.0
308.2216796875	192.0
308.2637023925781	144.0
308.4358825683594	164.0
323.259765625	588.0
324.2574157714844	144.0
346.2815246582031	164.0
347.2697448730469	184.0
1437.5133056640625	164.0
1757.4368896484375	164.0
1787.9979248046875	184.0
1805.9686279296875	224.0
1852.52197265625	144.0
1885.5069580078125	176.0
1959.1929931640625	196.0
1970.662109375	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079029
PEPMASS=305.069214
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_G2_H11_BC7_01_15721.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TAXIFOLIN-(+) [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
INCHI=InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1
INCHIAUX=CXQWRCVTCMQVQX-LSDHHAIUSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079029
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079029
SCANS=1089
47.1691780090332	232.0
50.0214729309082	160.0
53.0661735534668	208.0
53.885589599609375	164.0
60.13018035888672	168.0
66.47502136230469	188.0
67.68782043457031	148.0
68.1963882446289	180.0
69.2442626953125	176.0
71.26592254638672	224.0
72.03414916992188	144.0
76.60626220703125	156.0
77.19794464111328	148.0
77.22592163085938	160.0
78.18560791015625	200.0
80.48482513427734	176.0
81.81336212158203	176.0
86.67576599121094	192.0
87.191650390625	148.0
87.90489959716797	200.0
88.05611419677734	168.0
88.72225189208984	180.0
92.55531311035156	164.0
95.08706665039062	260.0
95.29232025146484	164.0
96.08808135986328	132.0
98.06060028076172	596.0
98.42627716064453	144.0
100.46659851074219	152.0
101.71730041503906	156.0
102.96765899658203	164.0
107.05003356933594	536.0
107.80355072021484	204.0
109.0262222290039	148.0
109.06571197509766	168.0
109.3319320678711	176.0
109.6985092163086	164.0
109.97384643554688	156.0
111.03878784179688	152.0
114.28142547607422	220.0
114.96969604492188	156.0
117.02967834472656	160.0
117.04474639892578	156.0
120.056884765625	152.0
121.02862548828125	132.0
121.0634765625	196.0
123.04522705078125	1908.0
124.05012512207031	292.0
125.02265167236328	228.0
125.06270599365234	180.0
127.89414978027344	152.0
128.08779907226562	168.0
129.07177734375	156.0
134.7311248779297	200.0
135.08944702148438	168.0
135.21670532226562	176.0
136.05348205566406	348.0
136.06973266601562	208.0
136.5693359375	172.0
137.01913452148438	160.0
137.05821228027344	152.0
139.03933715820312	168.0
139.0740966796875	156.0
139.81207275390625	164.0
140.10745239257812	7868.0
140.24839782714844	152.0
140.40206909179688	100.0
141.1046905517578	144.0
141.8773651123047	160.0
142.3367462158203	140.0
143.34056091308594	152.0
145.02650451660156	156.0
145.06517028808594	196.0
147.04232788085938	160.0
147.07931518554688	312.0
149.02403259277344	2140.0
150.02786254882812	348.0
150.06752014160156	264.0
151.03903198242188	292.0
151.07937622070312	276.0
152.04583740234375	596.0
153.01861572265625	4620.0
153.08958435058594	196.0
154.02249145507812	604.0
157.06756591796875	192.0
159.07937622070312	280.0
161.02381896972656	608.0
161.0566864013672	272.0
162.07049560546875	164.0
162.73248291015625	148.0
165.05471801757812	160.0
165.09300231933594	228.0
166.0262908935547	196.0
167.03260803222656	688.0
167.0709228515625	184.0
167.46340942382812	164.0
168.1329803466797	136.0
169.06149291992188	164.0
169.0821990966797	268.0
169.30224609375	192.0
169.89320373535156	168.0
171.04959106445312	204.0
173.05978393554688	216.0
175.07754516601562	316.0
177.0938262939453	848.0
178.06398010253906	404.0
178.0994415283203	188.0
179.03359985351562	280.0
179.06884765625	260.0
179.11160278320312	144.0
180.04177856445312	600.0
180.3883514404297	140.0
181.08460998535156	1996.0
185.02896118164062	172.0
185.05975341796875	792.0
185.24290466308594	160.0
185.30520629882812	144.0
188.0817413330078	144.0
189.05470275878906	480.0
190.06028747558594	132.0
190.10153198242188	156.0
190.79917907714844	240.0
191.07293701171875	996.0
191.1127166748047	184.0
192.07777404785156	156.0
193.1265411376953	140.0
194.091552734375	560.0
194.12355041503906	192.0
195.03079223632812	1532.0
195.06552124023438	9120.0
195.10142517089844	776.0
196.03750610351562	188.0
196.0703887939453	184.0
199.08810424804688	156.0
199.5657958984375	156.0
203.06443786621094	160.0
204.03857421875	164.0
204.08013916015625	372.0
206.08352661132812	116.0
207.10350036621094	136.0
208.3454132080078	156.0
209.11947631835938	752.0
211.92291259765625	148.0
212.63046264648438	140.0
213.05662536621094	1020.0
219.11038208007812	164.0
220.07479858398438	176.0
221.1094207763672	148.0
222.0856475830078	680.0
229.12405395507812	160.0
230.90798950195312	180.0
231.06558227539062	3068.0
232.0680389404297	244.0
232.41355895996094	208.0
233.06265258789062	180.0
233.6805419921875	164.0
237.11273193359375	14132.0
237.21392822265625	236.0
238.1158447265625	140.0
239.1233367919922	172.0
239.35531616210938	140.0
241.05166625976562	648.0
241.93333435058594	144.0
245.03253173828125	120.0
251.03521728515625	188.0
253.00682067871094	168.0
258.0520935058594	564.0
259.0600280761719	4084.0
259.1600646972656	140.0
260.06097412109375	628.0
261.0662841796875	268.0
263.901123046875	148.0
266.0166320800781	144.0
266.9555969238281	160.0
269.91973876953125	252.0
271.1276550292969	172.0
272.2003479003906	144.0
273.54833984375	160.0
274.0489196777344	180.0
276.1517028808594	164.0
277.0834655761719	168.0
282.5685729980469	156.0
286.55712890625	160.0
287.05364990234375	2440.0
288.0548400878906	200.0
288.3894958496094	148.0
288.55853271484375	220.0
289.0596008300781	4388.0
290.06396484375	732.0
290.176513671875	124.0
291.1744689941406	140.0
292.115966796875	116.0
293.798828125	160.0
295.1957702636719	172.0
299.4167785644531	172.0
300.8926086425781	156.0
303.16162109375	196.0
305.0651550292969	1672.0
305.1540222167969	156.0
305.98553466796875	148.0
306.07049560546875	136.0
306.1705627441406	2140.0
307.0694274902344	3912.0
307.173095703125	276.0
307.5995788574219	188.0
308.0699157714844	548.0
308.1324768066406	128.0
308.18658447265625	22816.0
308.242919921875	140.0
309.07293701171875	160.0
309.1490478515625	96.0
309.1866760253906	188.0
316.0554504394531	204.0
321.2460632324219	176.0
330.09375	160.0
348.0931396484375	152.0
349.10760498046875	160.0
1020.2274169921875	192.0
1113.9163818359375	144.0
1309.0567626953125	140.0
1399.0977783203125	168.0
1399.41796875	156.0
1662.4759521484375	160.0
1727.682861328125	152.0
1742.8551025390625	192.0
1755.924560546875	152.0
1758.91162109375	176.0
1762.9205322265625	148.0
1802.75341796875	256.0
1804.503173828125	196.0
1952.562255859375	156.0
1974.902587890625	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079030
PEPMASS=253.100632
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_G2_H11_BC7_01_15721.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=NC(=O)N1c2ccccc2CC(=O)c3ccccc13
INCHI=InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)
INCHIAUX=CTRLABGOLIVAIY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079030
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079030
SCANS=1158
48.96152877807617	168.0
49.405399322509766	164.0
51.724910736083984	156.0
51.982887268066406	160.0
53.67538833618164	156.0
54.620025634765625	152.0
56.62983703613281	156.0
60.532100677490234	152.0
61.1344108581543	140.0
62.0340576171875	148.0
63.6655387878418	180.0
64.71157836914062	164.0
64.87659454345703	180.0
66.55290985107422	188.0
66.65361785888672	252.0
67.94528198242188	208.0
69.94452667236328	172.0
74.06859588623047	176.0
84.90052032470703	184.0
85.78675079345703	176.0
86.337158203125	120.0
90.4704818725586	160.0
92.48828125	156.0
93.2343521118164	196.0
95.99495697021484	184.0
97.6852035522461	160.0
98.14408111572266	176.0
100.27314758300781	184.0
101.31419372558594	164.0
104.05297088623047	220.0
105.95169830322266	240.0
107.10823059082031	236.0
111.47120666503906	152.0
111.82030487060547	152.0
114.3984375	152.0
119.2730484008789	208.0
120.1877212524414	140.0
120.98326873779297	180.0
132.1377716064453	204.0
134.59019470214844	144.0
135.0778350830078	168.0
137.89126586914062	140.0
138.96609497070312	148.0
141.05735778808594	156.0
142.87860107421875	152.0
143.8628387451172	208.0
145.48350524902344	196.0
146.73692321777344	184.0
147.07464599609375	172.0
147.66900634765625	148.0
151.0034942626953	148.0
151.03529357910156	164.0
152.063232421875	428.0
153.0682830810547	312.0
154.06875610351562	152.0
155.07334899902344	168.0
155.09812927246094	168.0
156.02157592773438	152.0
162.33912658691406	196.0
164.4149932861328	172.0
165.07135009765625	528.0
167.07215881347656	792.0
169.05885314941406	156.0
172.66458129882812	152.0
174.1374969482422	152.0
177.93739318847656	148.0
178.06198120117188	320.0
179.0716552734375	724.0
180.00624084472656	164.0
180.0382843017578	160.0
180.0810546875	12876.0
180.21839904785156	136.0
180.42381286621094	128.0
180.869140625	168.0
181.08465576171875	2396.0
182.0574951171875	208.0
182.09620666503906	3240.0
183.09925842285156	848.0
184.0987548828125	152.0
184.70416259765625	208.0
185.21304321289062	200.0
190.06993103027344	136.0
192.07980346679688	324.0
193.08798217773438	200.0
193.58311462402344	140.0
195.0664520263672	452.0
196.0764923095703	292.0
207.01162719726562	152.0
207.07748413085938	176.0
207.8802032470703	164.0
208.0749053955078	9368.0
209.07778930664062	972.0
210.09205627441406	2964.0
211.0989532470703	392.0
211.50582885742188	180.0
212.02716064453125	148.0
213.80740356445312	168.0
225.7173614501953	224.0
226.08363342285156	132.0
235.19500732421875	156.0
235.2530059814453	144.0
236.07049560546875	14320.0
236.2828826904297	152.0
237.0736083984375	1900.0
238.07337951660156	436.0
238.40162658691406	184.0
238.52149963378906	152.0
243.0707244873047	196.0
251.1549835205078	260.0
253.0978240966797	10232.0
253.1656494140625	200.0
254.0987548828125	844.0
254.1780548095703	168.0
255.10227966308594	188.0
262.1031799316406	176.0
355.0640563964844	196.0
1640.58837890625	148.0
1801.5615234375	148.0
1865.2100830078125	152.0
1907.253662109375	160.0
1952.3856201171875	228.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079031
PEPMASS=339.220795
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_G2_H11_BC7_01_15721.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=IDEBENONE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCCO
INCHI=InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3
INCHIAUX=JGPMMRGNQUBGND-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079031
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079031
SCANS=2278
45.135868072509766	188.0
45.617183685302734	180.0
48.334266662597656	152.0
48.56146240234375	164.0
49.03557205200195	164.0
51.08013916015625	144.0
51.30799102783203	152.0
52.19282531738281	164.0
53.372737884521484	200.0
54.02175521850586	216.0
54.21649169921875	180.0
54.78217697143555	140.0
56.92701721191406	140.0
57.2292594909668	168.0
57.24431610107422	168.0
58.389930725097656	164.0
58.40666198730469	164.0
60.29102325439453	148.0
60.72917175292969	164.0
61.754032135009766	160.0
63.294734954833984	144.0
64.4383544921875	172.0
65.21395111083984	168.0
66.7530517578125	220.0
67.43450927734375	200.0
69.99995422363281	216.0
70.93222045898438	208.0
71.47468566894531	248.0
73.09916687011719	140.0
73.21492004394531	208.0
73.32395935058594	260.0
75.39372253417969	216.0
76.78085327148438	164.0
77.75533294677734	184.0
78.30562591552734	228.0
78.5470962524414	172.0
78.88967895507812	184.0
80.06072235107422	140.0
80.62625122070312	156.0
80.70311737060547	192.0
83.63109588623047	148.0
85.72075653076172	180.0
86.35212707519531	160.0
86.3946762084961	200.0
86.94126892089844	196.0
87.40769958496094	232.0
87.96868896484375	156.0
88.75446319580078	164.0
89.51757049560547	184.0
89.94345092773438	200.0
91.05355834960938	180.0
91.09475708007812	180.0
93.02538299560547	172.0
93.55017852783203	156.0
93.94137573242188	188.0
93.97224426269531	176.0
95.0490951538086	264.0
95.086669921875	164.0
95.10820007324219	172.0
96.50890350341797	160.0
97.48899841308594	156.0
97.96908569335938	148.0
99.79978942871094	188.0
99.9967269897461	172.0
100.8423843383789	180.0
101.06035614013672	204.0
101.356689453125	232.0
102.4839096069336	220.0
103.11148834228516	180.0
103.18021392822266	208.0
103.2691879272461	156.0
104.05543518066406	176.0
105.06895446777344	152.0
105.19956970214844	148.0
106.81021118164062	184.0
107.05197143554688	200.0
107.5932846069336	148.0
107.91351318359375	184.0
108.05622100830078	148.0
109.0655517578125	172.0
110.06611633300781	160.0
111.044921875	360.0
111.08032989501953	192.0
111.23014068603516	140.0
111.4548568725586	180.0
111.48638153076172	172.0
112.05239868164062	144.0
115.05337524414062	148.0
116.06752014160156	196.0
116.6192398071289	224.0
117.0724868774414	456.0
117.21105194091797	180.0
119.04541778564453	168.0
119.08159637451172	156.0
119.48883056640625	196.0
120.08787536621094	140.0
121.06597137451172	576.0
122.06764221191406	292.0
122.55409240722656	152.0
122.64224243164062	188.0
123.04481506347656	160.0
123.08018493652344	1064.0
125.05888366699219	468.0
125.17672729492188	164.0
125.71395874023438	144.0
125.91487884521484	264.0
127.04075622558594	152.0
127.08113861083984	172.0
127.6876449584961	180.0
128.06124877929688	204.0
129.07241821289062	176.0
130.08389282226562	204.0
131.04933166503906	324.0
131.08453369140625	400.0
131.50534057617188	152.0
131.65602111816406	172.0
132.09471130371094	128.0
132.71319580078125	156.0
133.06289672851562	172.0
133.10446166992188	224.0
133.35137939453125	176.0
135.04934692382812	172.0
135.07803344726562	424.0
135.56690979003906	152.0
136.01885986328125	148.0
136.05123901367188	516.0
136.0865020751953	192.0
137.06118774414062	844.0
137.09547424316406	168.0
137.13308715820312	524.0
138.0414581298828	140.0
138.0609588623047	164.0
138.13722229003906	296.0
138.54232788085938	172.0
139.0408935546875	356.0
139.07473754882812	1112.0
139.1732177734375	156.0
140.0406494140625	144.0
140.0821533203125	168.0
141.01776123046875	144.0
141.05320739746094	148.0
141.07212829589844	332.0
141.10348510742188	164.0
141.1477813720703	180.0
142.87681579589844	212.0
143.0891876220703	188.0
143.1291046142578	240.0
144.05630493164062	188.0
144.5063018798828	212.0
145.06484985351562	896.0
145.1024627685547	372.0
146.10354614257812	180.0
146.38092041015625	144.0
147.04705810546875	164.0
147.0797882080078	336.0
147.1195831298828	176.0
148.0931854248047	200.0
148.4397430419922	140.0
148.8107452392578	208.0
149.05886840820312	220.0
149.0799560546875	236.0
150.03512573242188	172.0
150.0712890625	180.0
151.04281616210938	176.0
151.07559204101562	4108.0
151.14871215820312	628.0
152.0451202392578	160.0
152.07720947265625	416.0
152.48497009277344	184.0
153.0554656982422	668.0
153.09640502929688	156.0
153.50662231445312	252.0
154.0630340576172	4636.0
155.06956481933594	536.0
155.1508331298828	164.0
155.40380859375	160.0
156.0197296142578	196.0
156.04261779785156	176.0
157.12039184570312	144.0
158.00238037109375	144.0
158.0742645263672	400.0
158.10748291015625	184.0
159.0446319580078	188.0
159.08009338378906	352.0
159.11810302734375	260.0
159.65032958984375	152.0
160.0554656982422	184.0
160.08447265625	228.0
160.1259765625	212.0
160.64520263671875	148.0
161.05807495117188	400.0
161.09613037109375	324.0
162.05499267578125	152.0
163.0404052734375	196.0
163.07386779785156	448.0
163.11602783203125	356.0
163.38372802734375	196.0
164.0503692626953	1092.0
165.05335998535156	736.0
165.09243774414062	324.0
166.0657958984375	576.0
166.83071899414062	156.0
167.0335235595703	336.0
167.07058715820312	1512.0
168.07827758789062	148.0
168.09825134277344	204.0
168.29957580566406	176.0
168.59405517578125	164.0
168.89913940429688	156.0
169.04971313476562	120.0
169.08726501464844	2856.0
170.0559844970703	292.0
170.09164428710938	460.0
171.0664825439453	648.0
171.1162567138672	164.0
171.675537109375	156.0
172.0878143310547	148.0
173.0631561279297	560.0
173.09698486328125	764.0
173.12852478027344	316.0
174.06175231933594	172.0
175.03956604003906	344.0
175.07528686523438	620.0
175.1455841064453	144.0
176.04750061035156	544.0
176.080322265625	316.0
176.8962860107422	152.0
177.054931640625	1136.0
177.09202575683594	752.0
177.12648010253906	172.0
178.06048583984375	368.0
178.09437561035156	312.0
178.66366577148438	228.0
179.0700225830078	824.0
179.1108856201172	352.0
180.076416015625	148.0
181.0504150390625	188.0
181.0869903564453	2008.0
182.05894470214844	4312.0
182.99505615234375	192.0
183.06517028808594	2244.0
183.1205596923828	156.0
183.27679443359375	140.0
184.06350708007812	248.0
184.28590393066406	160.0
185.08248901367188	252.0
185.39804077148438	140.0
186.092529296875	128.0
187.07537841796875	412.0
187.11398315429688	312.0
188.08489990234375	156.0
189.0526885986328	168.0
189.0867156982422	168.0
189.12939453125	152.0
189.657958984375	144.0
189.96780395507812	152.0
190.06565856933594	492.0
190.10830688476562	136.0
190.51959228515625	104.0
191.07057189941406	1600.0
191.10653686523438	708.0
192.07875061035156	412.0
192.1116485595703	188.0
193.04934692382812	408.0
193.08413696289062	1204.0
194.0570831298828	360.0
194.08984375	324.0
194.12705993652344	140.0
194.6140899658203	108.0
195.0668182373047	500.0
195.09803771972656	176.0
195.63853454589844	140.0
196.0783233642578	568.0
196.10293579101562	160.0
196.65594482421875	160.0
197.08209228515625	37800.0
197.1593780517578	188.0
197.2061767578125	156.0
198.08529663085938	2968.0
198.12118530273438	204.0
198.33604431152344	116.0
199.0866241455078	156.0
199.1845245361328	128.0
199.21389770507812	108.0
199.56666564941406	104.0
199.63966369628906	144.0
200.09268188476562	144.0
201.08938598632812	372.0
201.16575622558594	864.0
202.13699340820312	180.0
203.0742645263672	184.0
203.10800170898438	140.0
203.18167114257812	152.0
203.7153778076172	196.0
204.07566833496094	176.0
204.11611938476562	140.0
205.086669921875	980.0
205.1209716796875	408.0
205.165771484375	108.0
205.34921264648438	172.0
206.09315490722656	328.0
206.1571502685547	168.0
207.07095336914062	280.0
207.1014862060547	876.0
207.1614227294922	180.0
207.3619842529297	160.0
208.07296752929688	144.0
208.10494995117188	144.0
209.07992553710938	692.0
209.11651611328125	260.0
210.0878143310547	236.0
210.12826538085938	224.0
210.6508026123047	152.0
211.09844970703125	508.0
211.14988708496094	160.0
212.10018920898438	124.0
213.0908966064453	184.0
213.12484741210938	120.0
215.10610961914062	272.0
216.10618591308594	160.0
216.16329956054688	144.0
217.08851623535156	360.0
217.12417602539062	176.0
217.15586853027344	136.0
218.09405517578125	220.0
219.10494995117188	548.0
219.16751098632812	144.0
219.19076538085938	176.0
220.10972595214844	132.0
221.08065795898438	188.0
221.11740112304688	616.0
221.15350341796875	176.0
222.09181213378906	96.0
222.12205505371094	304.0
223.02029418945312	244.0
223.09591674804688	1556.0
223.13299560546875	276.0
223.170166015625	184.0
224.1001739501953	696.0
225.11248779296875	496.0
225.6166534423828	152.0
225.6375732421875	140.0
225.91270446777344	164.0
229.1162872314453	284.0
229.16168212890625	1120.0
231.09823608398438	264.0
231.166015625	148.0
233.1161651611328	332.0
233.15728759765625	300.0
233.18931579589844	1020.0
234.13267517089844	148.0
234.1929473876953	192.0
234.70787048339844	216.0
235.09832763671875	224.0
236.29611206054688	244.0
237.111083984375	300.0
237.15353393554688	268.0
237.18417358398438	196.0
237.45399475097656	152.0
239.1411590576172	448.0
240.13446044921875	172.0
241.1475830078125	124.0
243.17239379882812	456.0
244.1465606689453	224.0
245.18324279785156	140.0
247.13294982910156	252.0
247.171875	256.0
247.6639404296875	176.0
248.1747589111328	140.0
249.17596435546875	236.0
251.14089965820312	156.0
251.1907196044922	172.0
257.1536865234375	848.0
257.1943054199219	208.0
258.8119201660156	164.0
259.17333984375	152.0
261.1505432128906	452.0
261.18609619140625	3092.0
262.1512756347656	164.0
262.18701171875	596.0
263.181884765625	136.0
265.14837646484375	172.0
265.1752014160156	168.0
267.2005615234375	188.0
268.2361145019531	140.0
271.16900634765625	532.0
273.1876525878906	100.0
275.1668701171875	280.0
275.195556640625	248.0
276.1734619140625	184.0
276.2056884765625	156.0
277.18292236328125	132.0
279.19586181640625	512.0
280.1559143066406	144.0
280.1958923339844	164.0
281.6193542480469	220.0
288.8634033203125	144.0
289.1809997558594	4252.0
290.1873474121094	1104.0
291.188232421875	716.0
292.19683837890625	388.0
293.17242431640625	652.0
293.21282958984375	3316.0
294.21783447265625	556.0
294.7080993652344	148.0
295.2232971191406	160.0
301.16656494140625	200.0
303.19622802734375	776.0
304.1972961425781	460.0
306.1808776855469	152.0
307.1919860839844	2160.0
307.23895263671875	152.0
308.1914978027344	424.0
308.2713317871094	164.0
308.4775390625	180.0
310.20843505859375	200.0
312.44378662109375	172.0
320.1334228515625	140.0
320.1993408203125	172.0
320.5591735839844	156.0
320.9927673339844	108.0
321.2071533203125	14236.0
321.3150634765625	160.0
321.86138916015625	112.0
322.2095947265625	2648.0
322.29888916015625	188.0
323.2133483886719	584.0
324.19342041015625	112.0
337.9777526855469	128.0
338.31634521484375	152.0
339.2177734375	8264.0
340.11822509765625	108.0
340.218505859375	2436.0
340.3792419433594	104.0
340.8396911621094	156.0
341.22265625	132.0
341.28076171875	176.0
342.3360900878906	140.0
349.14984130859375	164.0
491.96978759765625	148.0
1297.7733154296875	220.0
1366.479736328125	224.0
1453.4747314453125	200.0
1461.501220703125	164.0
1526.9906005859375	152.0
1529.5115966796875	144.0
1594.10009765625	156.0
1681.338134765625	140.0
1692.9549560546875	244.0
1768.7147216796875	148.0
1775.42578125	212.0
1777.1453857421875	180.0
1795.2808837890625	240.0
1887.1839599609375	152.0
1895.2073974609375	144.0
1898.5794677734375	172.0
1903.4737548828125	152.0
1920.051513671875	212.0
1943.179443359375	176.0
1946.418212890625	172.0
1951.7869873046875	144.0
1995.1900634765625	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079032
PEPMASS=306.174255
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_G2_H11_BC7_01_15721.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=CETRAXATE HCl [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=NC[C@H]1CC[C@@H](CC1)C(=O)Oc2ccc(CCC(=O)O)cc2
INCHI=InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)/t13-,14-
INCHIAUX=FHRSHSOEWXUORL-HDJSIYSDSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079032
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079032
SCANS=1044
45.1129264831543	140.0
45.9185791015625	164.0
46.886600494384766	160.0
47.489540100097656	180.0
47.61443328857422	184.0
51.4675407409668	184.0
52.70283126831055	148.0
57.93429183959961	200.0
58.17692947387695	196.0
58.82085037231445	176.0
60.125492095947266	148.0
60.78938674926758	172.0
61.794410705566406	144.0
64.23849487304688	240.0
64.46361541748047	144.0
65.7063980102539	176.0
66.40682220458984	180.0
66.78526306152344	176.0
67.03761291503906	332.0
67.22677612304688	152.0
67.84012603759766	156.0
68.57981872558594	156.0
69.75837707519531	200.0
73.85630798339844	196.0
74.95677947998047	228.0
77.3290786743164	168.0
77.70232391357422	148.0
78.35281372070312	152.0
80.54010772705078	148.0
80.7027359008789	144.0
81.74128723144531	152.0
81.8150863647461	160.0
83.35063934326172	164.0
84.26387023925781	176.0
86.68309783935547	160.0
86.87220764160156	140.0
87.25476837158203	188.0
88.70155334472656	144.0
89.9468002319336	176.0
91.06175994873047	140.0
91.85384368896484	208.0
92.5226821899414	176.0
93.07029724121094	564.0
93.64794158935547	172.0
94.07056427001953	180.0
94.59601593017578	156.0
95.04653930664062	156.0
95.08573150634766	13700.0
96.08910369873047	1644.0
96.4927978515625	148.0
100.00819396972656	208.0
100.5323486328125	172.0
101.46845245361328	236.0
102.56806945800781	204.0
103.0544204711914	224.0
103.9088134765625	168.0
104.03667449951172	152.0
106.88582611083984	200.0
107.04904174804688	3072.0
107.9502182006836	148.0
108.05156707763672	204.0
110.84791564941406	176.0
112.11180114746094	1956.0
116.0197982788086	172.0
117.97747039794922	144.0
118.7258529663086	184.0
119.97173309326172	140.0
120.09364318847656	212.0
120.44744873046875	164.0
121.06239318847656	576.0
121.57279968261719	148.0
122.06826782226562	248.0
122.46539306640625	152.0
122.50724792480469	280.0
122.70117950439453	172.0
122.9195327758789	140.0
123.08120727539062	10684.0
123.27063751220703	148.0
124.08135986328125	832.0
126.62995910644531	160.0
127.31398010253906	188.0
131.60060119628906	160.0
132.93048095703125	208.0
133.9075164794922	144.0
135.90481567382812	224.0
135.9222869873047	140.0
137.5431671142578	220.0
137.93325805664062	160.0
140.06857299804688	224.0
140.10678100585938	3344.0
141.09361267089844	208.0
141.10928344726562	124.0
141.6914825439453	160.0
144.05856323242188	232.0
144.96774291992188	172.0
145.46182250976562	192.0
146.7127227783203	140.0
146.81158447265625	148.0
148.17483520507812	224.0
149.05908203125	2552.0
150.06227111816406	136.0
151.08657836914062	248.0
151.63751220703125	156.0
157.20208740234375	196.0
158.82579040527344	188.0
159.79042053222656	164.0
161.14178466796875	164.0
162.62571716308594	144.0
163.9335479736328	144.0
165.83944702148438	204.0
166.29823303222656	164.0
166.93824768066406	164.0
167.07225036621094	288.0
167.3113250732422	176.0
168.07164001464844	180.0
168.4304962158203	192.0
168.64236450195312	152.0
170.02796936035156	152.0
173.68594360351562	188.0
173.8092498779297	148.0
175.93849182128906	160.0
179.07540893554688	208.0
180.07289123535156	160.0
183.11288452148438	160.0
185.89627075195312	152.0
186.50991821289062	204.0
186.87432861328125	192.0
187.08251953125	120.0
188.6634063720703	168.0
189.2543487548828	160.0
191.68801879882812	144.0
195.2063446044922	160.0
197.0487518310547	160.0
197.35060119628906	148.0
198.7650909423828	160.0
199.08383178710938	324.0
199.7906036376953	156.0
200.90618896484375	176.0
201.08395385742188	152.0
201.12705993652344	792.0
202.13134765625	184.0
204.33984375	208.0
205.10018920898438	156.0
207.58460998535156	144.0
209.90806579589844	144.0
210.04360961914062	172.0
211.1090087890625	136.0
213.41458129882812	172.0
215.13931274414062	144.0
216.1593475341797	192.0
222.09878540039062	140.0
223.08164978027344	212.0
226.01036071777344	184.0
227.98947143554688	160.0
228.2419891357422	156.0
229.122314453125	1600.0
230.02853393554688	140.0
230.12594604492188	260.0
230.21270751953125	196.0
231.05599975585938	236.0
231.9584197998047	172.0
233.10565185546875	152.0
239.31198120117188	172.0
241.03927612304688	176.0
243.1394500732422	164.0
243.2567901611328	164.0
244.61831665039062	156.0
244.82382202148438	148.0
246.14852905273438	200.0
246.1880340576172	164.0
247.15562438964844	144.0
250.03948974609375	172.0
254.00160217285156	192.0
254.12216186523438	168.0
254.87464904785156	160.0
259.1213684082031	160.0
260.1591796875	188.0
262.24444580078125	172.0
262.918212890625	1004.0
262.9866638183594	196.0
263.8517761230469	176.0
263.9219055175781	140.0
264.92034912109375	604.0
266.9206848144531	200.0
270.3152770996094	152.0
271.133056640625	2152.0
271.9834289550781	148.0
272.1367492675781	640.0
272.4989929199219	160.0
273.13916015625	204.0
279.6484680175781	176.0
283.93682861328125	164.0
284.93524169921875	148.0
286.50946044921875	160.0
288.07159423828125	140.0
288.15899658203125	848.0
289.1440734863281	6320.0
289.5361633300781	176.0
290.14691162109375	824.0
291.12567138671875	468.0
295.3699035644531	140.0
295.8113098144531	196.0
299.6507568359375	192.0
300.56097412109375	176.0
300.8094787597656	172.0
301.49334716796875	148.0
301.7491149902344	172.0
303.1717529296875	160.0
303.8791198730469	184.0
304.2113342285156	132.0
304.5386657714844	172.0
304.6751403808594	96.0
305.0526428222656	332.0
305.10333251953125	136.0
305.14508056640625	336.0
305.1670837402344	176.0
305.1995544433594	376.0
305.4290466308594	188.0
305.48065185546875	156.0
305.595458984375	240.0
305.8726501464844	160.0
306.0507507324219	272.0
306.09405517578125	376.0
306.17120361328125	110208.0
306.2873229980469	136.0
306.3415832519531	176.0
306.3970947265625	192.0
306.4682922363281	148.0
306.51959228515625	164.0
306.59759521484375	180.0
306.7080383300781	156.0
306.7439880371094	252.0
307.0337219238281	112.0
307.1087646484375	200.0
307.1732177734375	17576.0
307.2736511230469	132.0
307.4574279785156	108.0
307.6454772949219	160.0
308.17706298828125	2292.0
308.49951171875	108.0
308.8906555175781	180.0
308.998046875	120.0
309.0826721191406	144.0
309.12823486328125	396.0
309.17327880859375	296.0
309.21478271484375	232.0
309.3266906738281	220.0
318.92486572265625	96.0
320.5291442871094	144.0
336.0269775390625	200.0
349.1184387207031	152.0
1250.5955810546875	144.0
1259.8612060546875	208.0
1283.958984375	172.0
1293.3900146484375	236.0
1342.3167724609375	152.0
1359.243408203125	180.0
1361.5042724609375	180.0
1375.4417724609375	212.0
1408.962890625	168.0
1432.9029541015625	244.0
1442.1695556640625	288.0
1455.153564453125	168.0
1456.907958984375	208.0
1488.551513671875	188.0
1506.1571044921875	156.0
1517.6717529296875	204.0
1523.050537109375	172.0
1530.236083984375	188.0
1546.386962890625	144.0
1564.9600830078125	208.0
1573.553955078125	144.0
1581.30859375	144.0
1593.456787109375	176.0
1615.5	180.0
1616.5001220703125	148.0
1629.2886962890625	168.0
1631.032470703125	196.0
1631.6513671875	204.0
1633.2677001953125	200.0
1638.468017578125	152.0
1654.458251953125	152.0
1657.5521240234375	256.0
1684.138671875	188.0
1690.2127685546875	212.0
1693.45458984375	196.0
1698.7989501953125	200.0
1719.7734375	168.0
1725.4566650390625	180.0
1749.540283203125	140.0
1762.2001953125	228.0
1762.64306640625	156.0
1782.1915283203125	144.0
1787.934814453125	212.0
1803.4786376953125	172.0
1808.4603271484375	172.0
1813.19482421875	156.0
1825.4703369140625	148.0
1832.42431640625	160.0
1848.468017578125	144.0
1871.4288330078125	148.0
1887.1663818359375	188.0
1892.193115234375	220.0
1904.359130859375	168.0
1923.672119140625	156.0
1935.2908935546875	180.0
1953.0177001953125	152.0
1953.712646484375	208.0
1955.96533203125	172.0
1975.3607177734375	152.0
1989.6724853515625	164.0
1990.746826171875	156.0
1994.060546875	144.0
2001.6934814453125	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079033
PEPMASS=427.223785
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=32.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_G2_H11_BC7_01_15721.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=PEROSPIRONE HCl [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN3CCN(CC3)c4nsc5ccccc45
INCHI=InChI=1S/C23H30N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-4,9-10,17-18H,1-2,5-8,11-16H2/t17-,18+
INCHIAUX=FBVFZWUMDDXLLG-HDICACEKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079033
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079033
SCANS=1165
45.937538146972656	212.0
47.519432067871094	136.0
47.56645584106445	168.0
47.768455505371094	160.0
48.392250061035156	164.0
48.87944412231445	144.0
48.94626235961914	144.0
49.00414276123047	144.0
49.18605422973633	204.0
49.44602966308594	152.0
49.58748245239258	160.0
49.674415588378906	176.0
49.74457931518555	252.0
49.78950881958008	212.0
49.91317367553711	192.0
50.02995300292969	184.0
50.31896209716797	148.0
50.751914978027344	160.0
51.429080963134766	140.0
51.4661979675293	144.0
52.433067321777344	196.0
53.23888397216797	152.0
53.458396911621094	172.0
53.663780212402344	156.0
53.83304214477539	176.0
53.885623931884766	164.0
54.12842559814453	156.0
54.157718658447266	148.0
54.187015533447266	200.0
54.85863494873047	144.0
55.039432525634766	152.0
55.13908004760742	140.0
55.321014404296875	184.0
55.639747619628906	216.0
56.03386688232422	176.0
56.05919647216797	148.0
56.424888610839844	164.0
57.00135803222656	132.0
57.84806442260742	172.0
58.08749008178711	152.0
58.573917388916016	200.0
58.87133026123047	160.0
59.13581466674805	180.0
61.034915924072266	144.0
61.83989334106445	156.0
61.869632720947266	160.0
62.05607223510742	156.0
62.62966537475586	140.0
62.68953323364258	140.0
63.02090072631836	160.0
63.26129150390625	168.0
63.59098815917969	180.0
63.730735778808594	144.0
63.901756286621094	220.0
63.94063949584961	192.0
64.54021453857422	120.0
64.84140014648438	144.0
66.56922149658203	176.0
66.59520721435547	204.0
66.82766723632812	184.0
67.00187683105469	172.0
67.1078109741211	176.0
67.3166732788086	152.0
67.35749816894531	224.0
67.37383270263672	176.0
68.02560424804688	196.0
68.11756134033203	160.0
68.18656921386719	212.0
68.85050964355469	176.0
68.96285247802734	180.0
69.01575469970703	180.0
69.34850311279297	176.0
69.85427856445312	212.0
70.48849487304688	148.0
70.80634307861328	220.0
71.73719787597656	172.0
72.3233413696289	140.0
72.36397552490234	172.0
72.47576141357422	144.0
72.49948120117188	404.0
72.68940734863281	152.0
72.70298767089844	160.0
72.85749816894531	160.0
73.0816421508789	124.0
73.11595153808594	180.0
73.34588623046875	188.0
75.68675994873047	124.0
76.0776596069336	184.0
76.6712875366211	180.0
78.30714416503906	244.0
78.95307922363281	180.0
78.9796142578125	204.0
79.43306732177734	184.0
79.49517059326172	184.0
79.66206359863281	152.0
79.78646087646484	148.0
80.36528778076172	232.0
80.59081268310547	260.0
80.62242889404297	156.0
81.48609924316406	160.0
81.80813598632812	176.0
82.79930114746094	188.0
83.01676940917969	144.0
83.97337341308594	180.0
84.1375961303711	168.0
84.84376525878906	164.0
85.7499771118164	168.0
86.56282806396484	180.0
87.52655792236328	184.0
87.77625274658203	156.0
87.86204528808594	156.0
88.24117279052734	168.0
88.61548614501953	196.0
88.85922241210938	164.0
89.31571197509766	168.0
89.58677673339844	256.0
89.72434997558594	204.0
90.05646514892578	152.0
90.27379608154297	160.0
90.41757202148438	144.0
90.61260986328125	160.0
91.07927703857422	156.0
91.3073501586914	152.0
91.64347076416016	128.0
92.2550048828125	144.0
93.07273864746094	324.0
93.10381317138672	168.0
93.26712036132812	148.0
94.21644592285156	228.0
94.51488494873047	148.0
95.04882049560547	1208.0
95.08602905273438	464.0
95.36817169189453	216.0
95.4478759765625	168.0
95.65994262695312	168.0
95.98725891113281	148.0
96.00480651855469	168.0
96.0555191040039	152.0
96.078369140625	136.0
96.16283416748047	172.0
96.35614776611328	152.0
96.38936614990234	156.0
97.34333038330078	184.0
97.38849639892578	176.0
97.76991271972656	236.0
97.86308288574219	144.0
98.0576400756836	148.0
98.09754943847656	992.0
98.6258773803711	152.0
98.81769561767578	140.0
98.90872955322266	160.0
98.9859390258789	180.0
99.03408813476562	248.0
99.0995101928711	276.0
99.40816497802734	160.0
99.8372573852539	152.0
100.74615478515625	172.0
100.9980239868164	140.0
101.28998565673828	144.0
101.52877044677734	156.0
101.66609954833984	120.0
101.74346923828125	160.0
101.90413665771484	140.0
102.29025268554688	160.0
102.47553253173828	156.0
102.67912292480469	192.0
102.98994445800781	140.0
103.10308837890625	160.0
104.1926040649414	172.0
105.0502700805664	240.0
105.70793151855469	148.0
106.06655883789062	180.0
106.534423828125	180.0
106.99302673339844	144.0
107.07332611083984	176.0
107.12688446044922	140.0
107.4013442993164	132.0
107.8118896484375	152.0
107.95246124267578	188.0
108.08004760742188	1116.0
108.65670013427734	152.0
108.90579986572266	176.0
109.01160430908203	168.0
109.06458282470703	900.0
109.0858154296875	132.0
109.1281509399414	184.0
109.3340835571289	140.0
109.61184692382812	156.0
109.83412170410156	188.0
109.85707092285156	248.0
110.05742645263672	160.0
110.09589385986328	620.0
110.11949920654297	204.0
110.58631896972656	148.0
110.66377258300781	160.0
110.77686309814453	156.0
111.0829086303711	184.0
111.102783203125	192.0
112.00780487060547	212.0
112.16795349121094	204.0
112.23302459716797	296.0
112.37251281738281	212.0
113.1883773803711	148.0
113.448974609375	148.0
113.99869537353516	156.0
114.0220718383789	152.0
114.26873779296875	180.0
114.34960174560547	144.0
114.3900375366211	176.0
114.55315399169922	160.0
114.80360412597656	148.0
115.67081451416016	140.0
116.05017852783203	144.0
116.10797119140625	116.0
116.25163269042969	148.0
116.44914245605469	156.0
116.61672973632812	240.0
117.24301147460938	188.0
118.29704284667969	156.0
118.37633514404297	224.0
118.86054229736328	152.0
119.38611602783203	156.0
119.57332611083984	140.0
120.04359436035156	152.0
122.0672607421875	192.0
122.1209487915039	164.0
122.32644653320312	144.0
122.7476806640625	168.0
122.8204574584961	180.0
123.10295104980469	160.0
123.13829040527344	152.0
123.51403045654297	144.0
123.66227722167969	144.0
124.12077331542969	228.0
124.21036529541016	188.0
124.32459259033203	132.0
124.42925262451172	248.0
124.92928314208984	148.0
125.17855834960938	160.0
125.55294036865234	184.0
125.79391479492188	140.0
126.01277160644531	148.0
126.09818267822266	196.0
126.25418090820312	192.0
126.58985137939453	188.0
126.98204040527344	276.0
127.09195709228516	140.0
127.3591079711914	156.0
127.79072570800781	204.0
128.2681427001953	180.0
128.5229949951172	184.0
128.5523223876953	140.0
128.86618041992188	148.0
128.92926025390625	136.0
129.287353515625	148.0
129.73977661132812	160.0
129.8693084716797	156.0
130.0618896484375	168.0
130.07777404785156	156.0
130.23899841308594	160.0
130.94862365722656	184.0
131.22091674804688	156.0
131.258544921875	168.0
132.22486877441406	168.0
132.4767303466797	204.0
132.5592041015625	164.0
132.64630126953125	176.0
132.7288360595703	140.0
132.9397430419922	136.0
133.0454559326172	168.0
133.43600463867188	140.0
134.0067901611328	860.0
134.25112915039062	152.0
134.93228149414062	164.0
134.978515625	216.0
135.01417541503906	320.0
135.03297424316406	132.0
135.728759765625	148.0
135.9294891357422	184.0
136.02037048339844	2408.0
136.07376098632812	852.0
136.48422241210938	144.0
136.6020050048828	188.0
136.91387939453125	208.0
137.02102661132812	140.0
137.0816192626953	216.0
137.12588500976562	200.0
137.3077392578125	196.0
137.92880249023438	204.0
138.0016632080078	144.0
138.0919189453125	1064.0
138.1509552001953	196.0
138.25390625	180.0
138.70358276367188	188.0
138.7364044189453	184.0
138.86068725585938	140.0
138.94081115722656	176.0
139.08816528320312	140.0
139.11553955078125	204.0
139.51109313964844	144.0
139.54165649414062	192.0
139.60140991210938	176.0
139.99343872070312	212.0
140.19837951660156	180.0
141.6419677734375	188.0
142.0805206298828	220.0
142.72178649902344	144.0
143.42454528808594	160.0
144.06910705566406	276.0
144.168701171875	148.0
144.19976806640625	160.0
144.90328979492188	224.0
145.07913208007812	232.0
145.30126953125	148.0
145.7021942138672	144.0
146.06759643554688	156.0
147.04364013671875	220.0
147.29934692382812	152.0
147.43707275390625	192.0
147.81674194335938	180.0
148.0169677734375	172.0
148.34713745117188	144.0
148.560546875	160.0
148.73768615722656	156.0
149.01760864257812	240.0
149.047119140625	160.0
149.45217895507812	160.0
150.03343200683594	620.0
150.1351318359375	192.0
150.74815368652344	188.0
150.9009552001953	144.0
150.9816436767578	184.0
151.03387451171875	992.0
151.13330078125	140.0
151.2630157470703	140.0
151.45645141601562	152.0
151.55690002441406	216.0
151.95899963378906	160.0
152.03475952148438	132.0
152.1435546875	216.0
153.0281219482422	160.0
153.0453643798828	204.0
153.22268676757812	188.0
153.3832550048828	168.0
153.4497528076172	152.0
153.88365173339844	164.0
153.95291137695312	160.0
154.04541015625	216.0
154.08740234375	34572.0
154.20887756347656	104.0
154.4099884033203	160.0
155.09056091308594	2812.0
155.12803649902344	172.0
155.35279846191406	224.0
155.55223083496094	164.0
155.80801391601562	140.0
156.08961486816406	172.0
156.29400634765625	160.0
156.49942016601562	188.0
156.5641632080078	160.0
156.82325744628906	224.0
156.9186248779297	140.0
157.01651000976562	136.0
157.1050262451172	248.0
157.15493774414062	156.0
157.41952514648438	180.0
157.97686767578125	176.0
158.17205810546875	144.0
158.2972412109375	192.0
158.42747497558594	144.0
158.55526733398438	208.0
158.90882873535156	140.0
160.0209197998047	408.0
160.3522186279297	260.0
161.01544189453125	480.0
161.26333618164062	176.0
161.72366333007812	208.0
161.8426513671875	180.0
161.94900512695312	148.0
162.03501892089844	340.0
162.05540466308594	140.0
162.89767456054688	212.0
162.9154510498047	144.0
163.03529357910156	600.0
163.24078369140625	152.0
163.56134033203125	168.0
164.0019989013672	192.0
164.04383850097656	156.0
164.1804656982422	164.0
164.2748260498047	196.0
164.310546875	172.0
164.4679412841797	152.0
164.49427795410156	176.0
164.51470947265625	156.0
164.80584716796875	196.0
165.04356384277344	144.0
165.08447265625	140.0
165.11004638671875	204.0
165.17311096191406	164.0
165.22515869140625	288.0
165.5911865234375	240.0
165.71670532226562	140.0
165.7412567138672	152.0
165.77565002441406	172.0
165.81289672851562	124.0
165.87046813964844	160.0
165.9272003173828	124.0
165.9844207763672	116.0
166.03970336914062	208.0
166.05870056152344	332.0
166.08694458007812	78820.0
166.31597900390625	152.0
166.4762725830078	168.0
166.74781799316406	256.0
166.78408813476562	128.0
166.91537475585938	192.0
167.09060668945312	5340.0
167.17483520507812	212.0
167.29428100585938	124.0
167.3656768798828	144.0
167.53822326660156	144.0
167.7870330810547	96.0
168.09312438964844	628.0
168.15191650390625	268.0
168.3811798095703	140.0
168.41171264648438	148.0
168.79774475097656	140.0
168.9011993408203	140.0
169.1806640625	180.0
169.52255249023438	180.0
169.54742431640625	112.0
169.56661987304688	160.0
169.7869873046875	196.0
171.706298828125	140.0
171.74542236328125	168.0
172.1071014404297	200.0
172.28314208984375	144.0
172.510498046875	144.0
172.87928771972656	164.0
172.9892120361328	196.0
173.5203857421875	116.0
173.85939025878906	196.0
174.0326385498047	156.0
174.11929321289062	196.0
174.7501678466797	156.0
174.86595153808594	208.0
174.90016174316406	144.0
175.03311157226562	788.0
175.56410217285156	196.0
175.80679321289062	200.0
175.93348693847656	148.0
176.04049682617188	296.0
176.36141967773438	160.0
176.39578247070312	280.0
176.43154907226562	240.0
176.47378540039062	228.0
176.53062438964844	156.0
176.5659637451172	132.0
176.70135498046875	152.0
176.72900390625	164.0
176.77928161621094	152.0
176.8189697265625	152.0
176.85867309570312	204.0
176.9225311279297	160.0
177.00904846191406	480.0
177.0492401123047	91912.0
177.0935516357422	136.0
177.13140869140625	212.0
177.20973205566406	168.0
177.23297119140625	244.0
177.3009796142578	204.0
177.3535614013672	124.0
177.43270874023438	120.0
177.72193908691406	176.0
177.7422332763672	100.0
177.80148315429688	184.0
177.89144897460938	100.0
177.9906768798828	140.0
178.0513458251953	8720.0
178.1014862060547	136.0
178.139404296875	168.0
178.23495483398438	100.0
178.3506622314453	160.0
178.56211853027344	132.0
178.91212463378906	112.0
178.97450256347656	228.0
179.00775146484375	148.0
179.04457092285156	3440.0
179.10491943359375	132.0
179.248046875	152.0
179.31954956054688	116.0
179.3489990234375	160.0
179.43983459472656	148.0
179.5563201904297	128.0
179.70213317871094	176.0
180.04736328125	716.0
180.13925170898438	600.0
180.50076293945312	176.0
181.1435089111328	264.0
182.10064697265625	176.0
183.26544189453125	188.0
183.75885009765625	148.0
184.0609588623047	136.0
184.0962677001953	2404.0
184.19618225097656	180.0
184.88291931152344	156.0
185.06698608398438	284.0
185.10105895996094	124.0
185.61431884765625	152.0
185.68331909179688	132.0
186.0341033935547	104.0
186.09637451171875	100.0
186.4205322265625	168.0
187.5702362060547	196.0
187.6574249267578	164.0
188.04153442382812	156.0
188.40135192871094	144.0
188.84417724609375	152.0
189.0472412109375	172.0
189.138671875	304.0
189.27381896972656	176.0
189.58335876464844	212.0
190.05137634277344	224.0
190.12635803222656	224.0
190.24163818359375	184.0
190.3322296142578	172.0
191.06246948242188	1228.0
191.26065063476562	164.0
191.4983367919922	120.0
191.61874389648438	172.0
191.7737579345703	172.0
192.0572052001953	140.0
192.13616943359375	180.0
193.06527709960938	376.0
193.1349639892578	160.0
193.23731994628906	148.0
193.28990173339844	148.0
194.12368774414062	148.0
195.20388793945312	172.0
195.36798095703125	176.0
196.1699981689453	276.0
196.24526977539062	176.0
196.3351287841797	124.0
196.60545349121094	136.0
196.78933715820312	188.0
197.67538452148438	160.0
198.0225372314453	144.0
198.11216735839844	264.0
198.1419219970703	200.0
198.3839874267578	248.0
198.69247436523438	212.0
199.25115966796875	144.0
199.2820587158203	140.0
199.8202667236328	176.0
200.50611877441406	376.0
201.04164123535156	568.0
201.21694946289062	164.0
201.2924041748047	116.0
201.462646484375	176.0
201.92054748535156	148.0
201.985595703125	228.0
202.04209899902344	460.0
202.0987548828125	196.0
202.49148559570312	120.0
203.06488037109375	6272.0
203.1441650390625	232.0
203.50521850585938	216.0
203.78860473632812	148.0
204.06375122070312	1000.0
204.48245239257812	172.0
204.85459899902344	160.0
205.08009338378906	7948.0
205.65069580078125	112.0
205.7794647216797	168.0
205.8280029296875	212.0
205.97802734375	136.0
206.03079223632812	156.0
206.08326721191406	1444.0
206.11935424804688	180.0
206.1422119140625	188.0
206.68617248535156	192.0
207.0782012939453	512.0
207.1177978515625	184.0
207.3040313720703	216.0
207.80294799804688	204.0
207.9033660888672	168.0
207.94961547851562	140.0
207.98777770996094	132.0
208.02511596679688	164.0
208.0447540283203	156.0
208.0772705078125	244.0
208.13426208496094	52524.0
208.34747314453125	120.0
208.80694580078125	208.0
208.9284210205078	132.0
209.0463409423828	180.0
209.1370849609375	6592.0
209.25341796875	212.0
209.3719482421875	100.0
209.69796752929688	164.0
210.14019775390625	728.0
210.33250427246094	200.0
210.36788940429688	100.0
210.5561065673828	172.0
210.70408630371094	136.0
210.78765869140625	140.0
210.84661865234375	200.0
210.91067504882812	168.0
211.18487548828125	224.0
211.22247314453125	208.0
211.32373046875	140.0
211.61463928222656	156.0
212.15093994140625	168.0
212.21527099609375	132.0
212.82220458984375	164.0
212.98773193359375	148.0
213.17076110839844	160.0
213.49635314941406	212.0
215.38787841796875	140.0
216.0619659423828	300.0
216.61935424804688	160.0
216.79515075683594	164.0
217.06698608398438	2468.0
217.23788452148438	172.0
217.27015686035156	148.0
217.88665771484375	152.0
217.97186279296875	188.0
218.03651428222656	152.0
218.0725860595703	768.0
219.06553649902344	384.0
219.08413696289062	312.0
219.11642456054688	144.0
219.84767150878906	144.0
219.89193725585938	224.0
220.0910186767578	3236.0
220.95274353027344	280.0
221.0237579345703	140.0
221.0918731689453	1088.0
221.18060302734375	160.0
221.41595458984375	124.0
221.53594970703125	152.0
221.62185668945312	168.0
221.7226104736328	148.0
222.0926971435547	168.0
224.2071075439453	148.0
225.30215454101562	196.0
225.34397888183594	144.0
225.77142333984375	144.0
226.80734252929688	156.0
227.0639190673828	264.0
227.32618713378906	180.0
227.34718322753906	140.0
227.650390625	140.0
227.6834259033203	152.0
228.0649871826172	200.0
228.9271240234375	176.0
228.95965576171875	152.0
229.072998046875	148.0
229.1392822265625	152.0
230.0780487060547	144.0
230.11434936523438	132.0
230.57981872558594	172.0
230.6077117919922	192.0
231.0200653076172	168.0
231.3378143310547	256.0
232.0907440185547	268.0
232.34054565429688	136.0
232.58062744140625	140.0
233.01487731933594	196.0
233.93328857421875	144.0
234.11293029785156	148.0
234.14642333984375	156.0
234.34747314453125	168.0
234.54556274414062	160.0
234.67665100097656	176.0
234.70713806152344	160.0
235.14337158203125	180.0
236.2831268310547	148.0
236.6871337890625	220.0
236.81881713867188	188.0
237.0715789794922	108.0
237.15562438964844	156.0
238.07931518554688	200.0
238.1345977783203	212.0
239.8175811767578	148.0
240.0380096435547	160.0
240.19065856933594	148.0
240.2646942138672	184.0
240.4529266357422	204.0
240.59182739257812	164.0
240.75547790527344	200.0
240.87283325195312	144.0
241.11692810058594	160.0
241.939697265625	148.0
243.17959594726562	168.0
245.10145568847656	160.0
245.2790985107422	144.0
245.39443969726562	168.0
245.65655517578125	128.0
246.06521606445312	148.0
246.61500549316406	184.0
247.91067504882812	172.0
248.2805938720703	268.0
248.75436401367188	156.0
249.1553192138672	452.0
249.33714294433594	168.0
250.02993774414062	120.0
250.1654510498047	176.0
250.5502471923828	136.0
250.68234252929688	268.0
250.9849395751953	168.0
251.08900451660156	264.0
251.17608642578125	30148.0
251.2696990966797	140.0
251.50131225585938	144.0
251.57315063476562	172.0
251.6270751953125	108.0
251.68116760253906	184.0
251.7744903564453	116.0
252.17910766601562	4176.0
252.4058380126953	268.0
253.18202209472656	280.0
253.64053344726562	156.0
253.8212432861328	144.0
254.0833740234375	304.0
254.18603515625	148.0
255.05303955078125	164.0
255.3264617919922	164.0
256.3450622558594	116.0
256.9956359863281	196.0
257.5894470214844	164.0
257.9569091796875	164.0
259.7019958496094	148.0
260.5880126953125	172.0
260.777587890625	184.0
261.0605163574219	140.0
261.7330322265625	148.0
261.8070983886719	208.0
261.8747253417969	176.0
262.0680236816406	144.0
262.155029296875	304.0
263.1162109375	204.0
263.1754150390625	544.0
263.3533935546875	212.0
264.2635498046875	172.0
264.7393493652344	176.0
265.1895751953125	236.0
266.64044189453125	176.0
266.70001220703125	196.0
267.9648132324219	160.0
268.9169921875	160.0
270.1104431152344	108.0
270.1521301269531	204.0
270.9934997558594	152.0
272.0035705566406	160.0
272.12127685546875	180.0
272.3778991699219	176.0
272.857666015625	164.0
273.1330871582031	144.0
273.96673583984375	148.0
274.0128479003906	196.0
274.1375427246094	1584.0
274.1875	204.0
274.4925842285156	160.0
275.1387023925781	260.0
275.1733703613281	832.0
275.2200012207031	320.0
276.0427551269531	200.0
276.1274719238281	128.0
276.177001953125	332.0
276.2412109375	156.0
276.5003356933594	148.0
276.9942932128906	116.0
277.1903991699219	2456.0
277.4047546386719	184.0
277.52459716796875	176.0
277.74505615234375	168.0
278.1921691894531	644.0
278.45098876953125	116.0
278.79095458984375	148.0
278.90386962890625	152.0
278.9803466796875	312.0
279.6622314453125	172.0
280.5082702636719	264.0
280.6783142089844	180.0
281.0385437011719	148.0
281.1586608886719	140.0
281.6895446777344	264.0
281.83319091796875	176.0
281.9185485839844	156.0
282.0871887207031	192.0
282.8799743652344	140.0
283.16168212890625	148.0
283.516357421875	196.0
283.6470642089844	168.0
284.2574768066406	160.0
284.3916931152344	172.0
284.9793701171875	140.0
285.3389892578125	152.0
285.5676574707031	216.0
285.7684326171875	180.0
286.7864685058594	184.0
286.87750244140625	156.0
288.0242614746094	156.0
288.13134765625	160.0
288.5181579589844	160.0
288.6026611328125	168.0
290.0245056152344	152.0
290.0721740722656	120.0
290.1329650878906	140.0
290.185791015625	164.0
290.9829406738281	120.0
291.0232238769531	164.0
291.1908874511719	1160.0
291.5041809082031	152.0
291.8475036621094	172.0
292.19091796875	296.0
292.7969055175781	168.0
293.20355224609375	304.0
293.37615966796875	144.0
295.8030090332031	196.0
295.8871154785156	192.0
296.19873046875	208.0
296.6270751953125	228.0
296.68878173828125	140.0
298.1286315917969	152.0
298.1853332519531	224.0
298.436279296875	144.0
298.47412109375	196.0
300.8099670410156	160.0
301.3901672363281	160.0
301.4972839355469	176.0
303.10986328125	172.0
304.6448669433594	232.0
304.7510681152344	140.0
305.08123779296875	264.0
305.49505615234375	200.0
305.8639221191406	152.0
306.16680908203125	176.0
306.5256042480469	212.0
308.5534973144531	144.0
309.1687927246094	188.0
309.3511047363281	160.0
309.63470458984375	148.0
309.7993469238281	172.0
309.83135986328125	124.0
309.9219665527344	148.0
310.0850524902344	148.0
310.47930908203125	160.0
310.53753662109375	140.0
310.77362060546875	152.0
312.3056335449219	172.0
312.9918518066406	176.0
313.2630615234375	140.0
313.6541748046875	172.0
313.90740966796875	136.0
314.7301940917969	192.0
314.78314208984375	152.0
316.0969543457031	160.0
317.0152587890625	144.0
317.06842041015625	180.0
317.8524169921875	172.0
319.7812805175781	196.0
320.36932373046875	168.0
320.3942565917969	204.0
320.48333740234375	212.0
320.6828918457031	156.0
320.9217224121094	180.0
321.11785888671875	144.0
321.8565673828125	168.0
321.8994140625	152.0
322.0851135253906	152.0
322.1994323730469	208.0
322.5799865722656	184.0
322.71051025390625	152.0
325.13916015625	140.0
325.59014892578125	172.0
325.7459411621094	232.0
326.5599365234375	192.0
327.771484375	184.0
327.8435363769531	160.0
327.9696960449219	268.0
328.8786315917969	164.0
329.0771484375	156.0
330.965087890625	104.0
331.7185363769531	124.0
332.64306640625	144.0
332.964599609375	144.0
333.27978515625	100.0
334.61834716796875	152.0
335.6700744628906	192.0
335.7138366699219	208.0
336.4613952636719	172.0
336.8818054199219	224.0
337.2015686035156	152.0
337.48480224609375	152.0
337.59405517578125	132.0
338.0595703125	216.0
338.3848571777344	224.0
339.35211181640625	180.0
339.8412780761719	160.0
340.4272155761719	152.0
341.0811767578125	156.0
341.754150390625	152.0
341.8792724609375	140.0
341.9970397949219	168.0
342.1189880371094	132.0
342.9436340332031	140.0
343.1205749511719	212.0
343.3786926269531	140.0
343.6005554199219	164.0
343.8601379394531	112.0
344.0982360839844	168.0
344.2607116699219	164.0
344.4231872558594	172.0
345.5729064941406	144.0
345.7523498535156	132.0
347.4689025878906	128.0
348.7472229003906	192.0
349.9956359863281	172.0
350.1573181152344	176.0
350.36590576171875	156.0
350.526123046875	144.0
350.6938171386719	156.0
351.30908203125	144.0
351.8464660644531	164.0
351.94354248046875	156.0
352.16387939453125	148.0
352.751708984375	124.0
352.7998046875	208.0
352.9935302734375	184.0
353.2179260253906	168.0
353.5321960449219	180.0
353.593505859375	108.0
353.7305603027344	144.0
353.9055480957031	140.0
354.2104187011719	188.0
354.7419738769531	148.0
355.2219543457031	172.0
355.9200134277344	164.0
356.03265380859375	180.0
356.7427978515625	152.0
357.58306884765625	144.0
358.74639892578125	144.0
358.8283996582031	196.0
359.3337707519531	144.0
360.24737548828125	148.0
361.0108642578125	140.0
361.11676025390625	152.0
361.744873046875	148.0
362.013671875	204.0
362.6311950683594	180.0
362.6615295410156	172.0
363.0237731933594	152.0
364.06524658203125	144.0
364.3907775878906	172.0
364.5058898925781	140.0
364.6959228515625	180.0
364.74127197265625	112.0
365.0342712402344	152.0
365.19781494140625	140.0
366.0198059082031	144.0
366.16070556640625	152.0
366.40289306640625	172.0
366.4768981933594	140.0
366.51031494140625	160.0
366.66192626953125	200.0
367.41094970703125	228.0
370.1650390625	164.0
370.7413024902344	184.0
370.9007568359375	120.0
372.20770263671875	116.0
372.45245361328125	168.0
372.7135314941406	100.0
372.9903869628906	192.0
373.2226867675781	104.0
373.5287170410156	144.0
373.7787780761719	140.0
373.9096374511719	172.0
374.68743896484375	160.0
374.7375183105469	180.0
375.4316101074219	120.0
375.4793395996094	180.0
375.6396179199219	148.0
375.774658203125	180.0
376.6548156738281	200.0
377.0330505371094	192.0
377.6597900390625	152.0
378.2633972167969	140.0
378.42987060546875	160.0
378.6583251953125	180.0
379.1282043457031	192.0
379.5069885253906	192.0
380.15087890625	148.0
380.2867126464844	220.0
380.9652404785156	176.0
381.2868347167969	128.0
381.3353576660156	152.0
381.4583740234375	160.0
381.57550048828125	216.0
381.9924621582031	180.0
382.15771484375	1492.0
382.4321594238281	164.0
383.1607971191406	120.0
384.0530090332031	152.0
384.17144775390625	168.0
384.271484375	152.0
384.9487609863281	108.0
385.0697326660156	128.0
385.16845703125	160.0
385.2033996582031	240.0
385.80438232421875	148.0
386.18560791015625	168.0
386.66290283203125	196.0
387.0700378417969	176.0
388.7320861816406	156.0
389.02252197265625	144.0
389.05548095703125	140.0
390.1145935058594	204.0
390.3898010253906	208.0
391.2171325683594	352.0
391.2926330566406	168.0
391.39410400390625	164.0
391.436767578125	116.0
392.1252136230469	176.0
392.21356201171875	120.0
392.4097595214844	152.0
393.85626220703125	168.0
394.5377197265625	140.0
394.6767578125	96.0
395.028076171875	168.0
396.1523132324219	196.0
396.3429260253906	240.0
396.4507141113281	176.0
396.5604248046875	172.0
397.18487548828125	136.0
397.42889404296875	188.0
397.5955505371094	176.0
398.18304443359375	160.0
398.22283935546875	156.0
399.3794250488281	180.0
399.50018310546875	112.0
399.54254150390625	152.0
400.2788391113281	164.0
400.4859313964844	156.0
401.0955810546875	168.0
401.1553649902344	172.0
401.29541015625	124.0
402.42047119140625	152.0
403.189697265625	244.0
403.3501892089844	128.0
403.64776611328125	136.0
403.83062744140625	144.0
404.64697265625	144.0
404.7561950683594	128.0
404.9898986816406	112.0
405.6364440917969	148.0
405.74468994140625	228.0
406.14971923828125	144.0
406.4293518066406	96.0
406.6180725097656	168.0
407.1209716796875	200.0
407.2563781738281	140.0
407.52264404296875	172.0
408.11346435546875	168.0
408.2421569824219	144.0
408.49554443359375	164.0
408.7651062011719	148.0
409.2096252441406	280.0
409.41705322265625	164.0
409.4534912109375	216.0
410.18310546875	232.0
410.5496520996094	160.0
411.3552551269531	148.0
411.5301818847656	196.0
411.9542236328125	148.0
412.2127990722656	236.0
412.9364318847656	220.0
414.3604736328125	116.0
414.8759765625	144.0
414.9714050292969	164.0
415.1141357421875	152.0
415.3017578125	148.0
415.48834228515625	176.0
415.7330017089844	172.0
416.1336364746094	176.0
416.2107849121094	160.0
416.29095458984375	124.0
417.34442138671875	140.0
417.60443115234375	124.0
418.07659912109375	204.0
418.41802978515625	172.0
418.76055908203125	160.0
420.12408447265625	124.0
420.3195495605469	144.0
420.7734069824219	148.0
420.9260559082031	168.0
421.0526428222656	148.0
421.1465759277344	236.0
421.38482666015625	140.0
421.5183410644531	212.0
421.8248596191406	164.0
421.9060974121094	148.0
421.9413757324219	132.0
422.0619812011719	236.0
422.4166259765625	156.0
422.4554138183594	140.0
423.02587890625	152.0
423.1906433105469	160.0
423.2168273925781	116.0
423.2822265625	164.0
423.3263854980469	116.0
423.38873291015625	176.0
423.6025695800781	120.0
423.69952392578125	200.0
423.7740173339844	140.0
423.89495849609375	100.0
424.0851135253906	280.0
424.20098876953125	160.0
424.231201171875	252.0
424.32452392578125	152.0
424.41131591796875	124.0
424.45416259765625	292.0
424.5155944824219	204.0
424.5994567871094	128.0
424.6439514160156	148.0
424.6857604980469	236.0
424.7329406738281	108.0
424.8258972167969	132.0
424.8689270019531	392.0
424.9272766113281	156.0
424.9638977050781	156.0
425.0177917480469	140.0
425.0939025878906	100.0
425.2027893066406	5772.0
425.4366149902344	508.0
425.4699401855469	140.0
425.5726623535156	108.0
425.6416015625	248.0
425.7293395996094	168.0
425.79449462890625	240.0
425.86175537109375	116.0
425.8996887207031	280.0
425.9398193359375	260.0
425.9797058105469	240.0
425.99603271484375	112.0
426.0093994140625	284.0
426.06591796875	328.0
426.1002502441406	376.0
426.2024841308594	1724.0
426.2938537597656	136.0
426.3268737792969	244.0
426.3770751953125	164.0
426.41424560546875	152.0
426.4482116699219	352.0
426.5208740234375	256.0
426.57965087890625	272.0
426.5961608886719	268.0
426.6064453125	360.0
426.6596984863281	292.0
426.7099609375	496.0
426.7588806152344	300.0
426.8052062988281	372.0
426.8418884277344	356.0
426.8619689941406	476.0
426.8963623046875	544.0
426.9601135253906	416.0
427.0131530761719	220.0
427.09417724609375	804.0
427.2189636230469	316572.0
427.33428955078125	320.0
427.3669738769531	264.0
427.4372253417969	312.0
427.496337890625	528.0
427.6023864746094	1592.0
427.6680603027344	500.0
427.7308044433594	1052.0
427.844482421875	624.0
427.9060363769531	13676.0
427.95098876953125	484.0
427.9905700683594	668.0
428.01947021484375	392.0
428.0595703125	364.0
428.0747985839844	440.0
428.1177062988281	444.0
428.1560363769531	200.0
428.2216491699219	178688.0
428.36785888671875	228.0
428.4027404785156	280.0
428.46197509765625	228.0
428.5206298828125	368.0
428.58367919921875	468.0
428.6150817871094	948.0
428.66064453125	232.0
428.7181091308594	132.0
428.77935791015625	232.0
428.8547058105469	144.0
428.9017639160156	2072.0
428.9378967285156	436.0
429.05859375	180.0
429.11541748046875	176.0
429.1435546875	256.0
429.21795654296875	61768.0
429.3927307128906	200.0
429.5238952636719	212.0
429.5851745605469	404.0
429.66363525390625	284.0
429.7123107910156	112.0
429.784423828125	236.0
429.83740234375	180.0
429.8941955566406	448.0
429.9778137207031	152.0
430.03875732421875	116.0
430.07110595703125	212.0
430.1021423339844	248.0
430.2188720703125	7176.0
430.3580017089844	260.0
430.42413330078125	188.0
430.5273742675781	276.0
430.6158447265625	496.0
430.6655578613281	200.0
430.6927795410156	400.0
430.7564392089844	384.0
430.7735900878906	292.0
430.82305908203125	432.0
430.8932800292969	504.0
430.9242858886719	476.0
430.9886474609375	576.0
431.0243225097656	344.0
431.07806396484375	172.0
431.11798095703125	188.0
431.2188720703125	564.0
431.2939758300781	184.0
431.310791015625	188.0
431.36651611328125	228.0
431.495361328125	276.0
431.5328063964844	124.0
431.6297607421875	128.0
431.7205810546875	188.0
431.7680969238281	112.0
431.8298645019531	104.0
431.8770446777344	316.0
431.95806884765625	268.0
432.02362060546875	160.0
432.0641174316406	308.0
432.1459045410156	176.0
432.4042663574219	108.0
432.5596008300781	100.0
432.81689453125	156.0
433.1032409667969	112.0
433.41351318359375	96.0
433.8128356933594	116.0
434.13470458984375	104.0
434.370849609375	96.0
435.944091796875	132.0
436.01702880859375	120.0
436.83831787109375	120.0
437.2872314453125	140.0
437.6121520996094	116.0
439.3736572265625	164.0
440.11767578125	104.0
440.46441650390625	104.0
441.4714050292969	172.0
442.6413269042969	108.0
444.3356628417969	96.0
444.4118957519531	148.0
444.6807861328125	124.0
445.2029724121094	184.0
445.8037109375	160.0
447.5661926269531	188.0
452.2853698730469	128.0
458.70855712890625	144.0
478.19561767578125	148.0
483.0732421875	124.0
549.8958740234375	156.0
593.2212524414062	140.0
597.6990966796875	156.0
599.6771850585938	104.0
609.6552124023438	148.0
620.7796630859375	116.0
623.4451904296875	128.0
625.5120849609375	204.0
629.45068359375	156.0
633.5548095703125	104.0
636.616455078125	152.0
640.70068359375	168.0
642.972900390625	108.0
689.525146484375	100.0
776.0368041992188	152.0
776.691162109375	192.0
801.239990234375	108.0
1034.896484375	112.0
1139.4903564453125	224.0
1142.9327392578125	148.0
1182.4835205078125	168.0
1227.8623046875	160.0
1304.5032958984375	144.0
1412.5086669921875	156.0
1448.171875	180.0
1455.171142578125	144.0
1458.855712890625	160.0
1459.12939453125	184.0
1485.3228759765625	148.0
1490.2283935546875	256.0
1498.5455322265625	152.0
1520.622802734375	188.0
1525.74951171875	160.0
1526.309326171875	164.0
1533.2998046875	176.0
1536.7855224609375	156.0
1543.3385009765625	160.0
1552.9029541015625	128.0
1575.538818359375	164.0
1576.012939453125	156.0
1581.469482421875	164.0
1585.8494873046875	184.0
1586.7847900390625	168.0
1593.769287109375	184.0
1614.262939453125	152.0
1614.966796875	212.0
1622.686279296875	168.0
1623.616455078125	168.0
1626.1195068359375	232.0
1628.1346435546875	148.0
1644.6717529296875	176.0
1651.0706787109375	184.0
1655.2705078125	188.0
1681.8797607421875	148.0
1687.4837646484375	144.0
1691.7869873046875	172.0
1692.008056640625	148.0
1699.1217041015625	156.0
1718.8106689453125	140.0
1725.525634765625	144.0
1739.7916259765625	172.0
1745.2667236328125	196.0
1759.4136962890625	184.0
1762.5540771484375	140.0
1773.0728759765625	140.0
1773.5003662109375	200.0
1777.643310546875	188.0
1787.3402099609375	152.0
1788.3585205078125	192.0
1790.724365234375	188.0
1799.528076171875	184.0
1811.943603515625	232.0
1821.2579345703125	192.0
1822.2857666015625	164.0
1830.340576171875	144.0
1830.5108642578125	160.0
1836.7322998046875	156.0
1838.1571044921875	168.0
1844.7933349609375	192.0
1847.46142578125	236.0
1849.6177978515625	152.0
1858.1959228515625	180.0
1863.2269287109375	144.0
1869.2197265625	152.0
1874.18798828125	156.0
1875.7392578125	172.0
1884.6282958984375	160.0
1886.3653564453125	168.0
1886.5123291015625	152.0
1897.0648193359375	144.0
1898.391357421875	172.0
1899.8311767578125	176.0
1903.74560546875	180.0
1906.58642578125	144.0
1910.055419921875	148.0
1910.36865234375	168.0
1931.3297119140625	188.0
1932.30078125	160.0
1953.6278076171875	164.0
1957.403564453125	204.0
1959.7113037109375	176.0
1968.390625	168.0
1970.422119140625	160.0
1974.56787109375	160.0
1977.1334228515625	160.0
1978.053955078125	160.0
1982.1279296875	192.0
1997.87841796875	140.0
1999.9517822265625	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079034
PEPMASS=308.189423
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_G2_H11_BC7_01_15721.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Buflomedil HCl [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1
INCHI=InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3
INCHIAUX=OWYLAEYXIQKAOL-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079034
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079034
SCANS=1110
62.706825256347656	196.0
65.46145629882812	212.0
66.76092529296875	140.0
72.5791015625	160.0
79.61759948730469	160.0
91.05451965332031	152.0
92.35033416748047	164.0
93.59025573730469	156.0
95.08599090576172	244.0
95.64624786376953	164.0
109.03784942626953	228.0
112.1172866821289	196.0
114.37080383300781	208.0
115.05293273925781	180.0
121.06737518310547	232.0
123.07875061035156	152.0
124.086181640625	188.0
126.95278930664062	176.0
129.06951904296875	140.0
137.0198516845703	184.0
137.78147888183594	160.0
138.30763244628906	176.0
139.8779754638672	204.0
140.04278564453125	332.0
140.10748291015625	5900.0
141.1091766357422	220.0
142.8953094482422	148.0
149.05697631835938	156.0
151.07257080078125	260.0
152.05213928222656	196.0
157.06500244140625	168.0
164.0885467529297	208.0
165.09518432617188	244.0
168.0885467529297	188.0
173.02574157714844	140.0
173.5340118408203	220.0
174.06927490234375	196.0
176.85589599609375	144.0
177.08889770507812	168.0
178.06381225585938	160.0
178.10218811035156	368.0
179.10650634765625	172.0
180.0490264892578	180.0
181.0864715576172	1084.0
184.39059448242188	184.0
186.97789001464844	184.0
187.2828369140625	176.0
189.0538330078125	216.0
190.0631103515625	184.0
191.07106018066406	368.0
192.07699584960938	168.0
193.0795135498047	196.0
193.1182403564453	140.0
193.48350524902344	288.0
194.09422302246094	140.0
194.9563446044922	140.0
195.0652313232422	2756.0
195.10159301757812	300.0
196.07247924804688	592.0
196.1196746826172	232.0
197.03775024414062	180.0
197.59970092773438	180.0
198.48757934570312	152.0
199.08517456054688	1116.0
200.0933837890625	184.0
201.13211059570312	244.0
204.07545471191406	288.0
205.09182739257812	160.0
206.25924682617188	140.0
206.5337371826172	148.0
208.07948303222656	196.0
209.12030029296875	304.0
211.5550994873047	176.0
221.11769104003906	180.0
222.08631896972656	308.0
224.09072875976562	156.0
224.92872619628906	152.0
227.10401916503906	176.0
229.12103271484375	140.0
231.10159301757812	176.0
235.8334503173828	156.0
237.11253356933594	5128.0
237.21392822265625	212.0
238.11526489257812	736.0
239.11294555664062	132.0
249.07762145996094	144.0
249.8760986328125	188.0
252.03900146484375	140.0
255.08197021484375	124.0
255.58395385742188	148.0
260.0675964355469	148.0
265.03717041015625	160.0
265.105224609375	176.0
265.52020263671875	156.0
269.1159362792969	200.0
284.91534423828125	152.0
285.6145324707031	200.0
287.8725891113281	148.0
288.988037109375	208.0
289.05731201171875	2328.0
289.15716552734375	168.0
290.0609436035156	504.0
290.1756896972656	400.0
291.1800842285156	292.0
295.0555725097656	180.0
300.9996337890625	152.0
305.5018005371094	144.0
306.1712951660156	1380.0
306.2124328613281	112.0
307.0699768066406	1380.0
307.1213684082031	960.0
307.1786804199219	304.0
307.59814453125	180.0
307.9871520996094	212.0
308.07025146484375	800.0
308.1229248046875	172.0
308.18560791015625	10224.0
308.42889404296875	104.0
308.8948059082031	128.0
309.06268310546875	128.0
309.1305847167969	412.0
309.189208984375	1728.0
309.2731018066406	168.0
310.1897277832031	316.0
311.0604248046875	176.0
311.1317443847656	152.0
311.2221374511719	172.0
312.0998840332031	172.0
341.95263671875	156.0
364.1979064941406	172.0
425.13165283203125	168.0
426.1377868652344	148.0
689.3956909179688	156.0
1415.943115234375	208.0
1496.8729248046875	144.0
1769.026123046875	168.0
1866.861328125	204.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079035
PEPMASS=498.182037
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=34.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_G2_H11_BC7_01_15721.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=idarubicin hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C
INCHI=InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1
INCHIAUX=XDXDZDZNSLXDNA-TZNDIEGXSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079035
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079035
SCANS=1166
47.32516860961914	168.0
47.36762237548828	220.0
47.809730529785156	180.0
48.80294418334961	144.0
49.817604064941406	184.0
50.191978454589844	184.0
50.61730194091797	232.0
53.84910583496094	224.0
56.937355041503906	172.0
58.904930114746094	156.0
59.011905670166016	144.0
59.40396499633789	152.0
59.86813735961914	156.0
60.70261764526367	168.0
60.93544387817383	200.0
60.946319580078125	176.0
62.20354080200195	164.0
64.54044342041016	160.0
67.58802032470703	212.0
68.066650390625	140.0
69.60474395751953	156.0
70.41331481933594	140.0
72.82862091064453	196.0
74.26750946044922	172.0
75.0413589477539	204.0
76.81724548339844	224.0
78.25431060791016	188.0
79.49871826171875	172.0
80.02664184570312	164.0
82.30020141601562	240.0
83.18731689453125	244.0
83.50347900390625	152.0
84.8474349975586	156.0
85.41854858398438	176.0
86.06358337402344	152.0
88.17387390136719	148.0
88.39641571044922	172.0
91.05477905273438	196.0
92.5726089477539	156.0
92.97518920898438	140.0
94.06265258789062	160.0
94.49940490722656	144.0
94.84217071533203	224.0
95.00117492675781	164.0
95.05164337158203	296.0
95.23993682861328	140.0
95.54707336425781	172.0
96.0535659790039	176.0
96.77273559570312	204.0
98.7168197631836	212.0
99.5578384399414	172.0
99.82532501220703	160.0
105.02986907958984	140.0
106.43584442138672	196.0
108.24009704589844	288.0
110.7475357055664	152.0
112.01834106445312	204.0
112.07530212402344	2264.0
113.05977630615234	2812.0
114.06285858154297	328.0
114.82683563232422	172.0
115.06273651123047	116.0
115.44402313232422	140.0
116.78443145751953	180.0
117.94445037841797	196.0
119.6995849609375	192.0
120.56562042236328	184.0
121.1191635131836	140.0
122.28504943847656	164.0
124.43147277832031	160.0
127.79521942138672	176.0
129.698974609375	200.0
130.0301055908203	160.0
130.05906677246094	232.0
130.08726501464844	31416.0
130.21173095703125	208.0
130.34201049804688	116.0
130.4162139892578	176.0
131.08929443359375	2616.0
131.15139770507812	160.0
132.09014892578125	252.0
133.02392578125	160.0
134.150634765625	144.0
136.99774169921875	184.0
141.67039489746094	192.0
142.47935485839844	148.0
145.03509521484375	160.0
145.52928161621094	184.0
148.09722900390625	564.0
151.44175720214844	176.0
151.49075317382812	212.0
157.41452026367188	164.0
163.4188232421875	160.0
165.1151580810547	184.0
166.6814727783203	152.0
166.9102325439453	168.0
177.2479705810547	168.0
179.02243041992188	196.0
179.0916748046875	140.0
180.08920288085938	144.0
183.03111267089844	176.0
184.09085083007812	180.0
184.79092407226562	160.0
185.05075073242188	188.0
187.60939025878906	172.0
187.6562957763672	176.0
188.06275939941406	176.0
189.0673370361328	176.0
190.31851196289062	144.0
190.4503173828125	168.0
190.6206512451172	188.0
191.08775329589844	512.0
192.52142333984375	156.0
193.07688903808594	148.0
194.0765380859375	140.0
197.53829956054688	152.0
198.61953735351562	148.0
198.8411865234375	172.0
200.0413818359375	252.0
205.0691680908203	164.0
207.0800018310547	272.0
207.67959594726562	188.0
208.08421325683594	160.0
209.78443908691406	204.0
212.99644470214844	156.0
214.8458251953125	156.0
217.07009887695312	352.0
217.98068237304688	224.0
218.0692138671875	192.0
219.0784454345703	160.0
219.15472412109375	140.0
221.05850219726562	124.0
221.61000061035156	152.0
223.5764923095703	128.0
223.7602996826172	176.0
225.44557189941406	164.0
229.072998046875	176.0
230.0862579345703	164.0
231.0684814453125	160.0
231.5770263671875	148.0
235.07373046875	280.0
237.49220275878906	212.0
239.0476531982422	228.0
240.0210418701172	164.0
243.01512145996094	184.0
243.28822326660156	240.0
245.06130981445312	136.0
246.06065368652344	252.0
247.0751953125	472.0
248.07809448242188	204.0
249.0529022216797	360.0
256.2081604003906	168.0
256.2750549316406	172.0
259.08172607421875	180.0
261.025146484375	200.0
262.6482849121094	176.0
263.0694580078125	1836.0
264.0659484863281	156.0
264.7393493652344	172.0
265.0700378417969	152.0
270.2175598144531	148.0
273.0540771484375	1040.0
274.063720703125	144.0
274.5600280761719	188.0
275.7782897949219	188.0
276.0791320800781	148.0
278.5516662597656	140.0
282.0938720703125	160.0
284.5360412597656	148.0
285.4869384765625	152.0
285.6820068359375	180.0
289.0796203613281	200.0
289.7584228515625	120.0
289.97027587890625	144.0
290.1244812011719	104.0
290.6473693847656	120.0
290.7171936035156	116.0
290.8335266113281	160.0
290.94354248046875	180.0
291.0665283203125	100956.0
291.12982177734375	452.0
291.175048828125	96.0
291.2625427246094	156.0
291.42486572265625	160.0
291.771728515625	124.0
291.8196716308594	124.0
291.9678039550781	200.0
292.0693054199219	19436.0
292.2046203613281	136.0
292.2835388183594	152.0
292.9953918457031	104.0
293.071533203125	3220.0
293.1129455566406	180.0
293.2295837402344	144.0
293.55975341796875	136.0
293.5899963378906	128.0
293.90478515625	236.0
294.01220703125	124.0
294.07147216796875	248.0
294.1581726074219	132.0
294.2734069824219	160.0
295.1669921875	132.0
295.54351806640625	112.0
299.84075927734375	192.0
305.0818786621094	504.0
306.0851745605469	164.0
309.29510498046875	148.0
310.0782775878906	140.0
315.06646728515625	324.0
315.11871337890625	140.0
318.0757141113281	160.0
321.3782653808594	188.0
332.67938232421875	196.0
332.790283203125	112.0
332.8584899902344	120.0
333.0162353515625	188.0
333.0767517089844	31276.0
333.1773376464844	100.0
333.2879638671875	140.0
333.8952331542969	200.0
334.08026123046875	6388.0
334.34771728515625	260.0
335.0810241699219	1320.0
335.2472229003906	164.0
335.966796875	148.0
336.0466613769531	164.0
336.0897216796875	404.0
336.2674255371094	140.0
344.8554992675781	156.0
351.0863952636719	3180.0
352.0918273925781	1120.0
353.0848693847656	112.0
368.1069641113281	124.0
458.9771423339844	140.0
472.2645568847656	176.0
480.15399169921875	116.0
480.18646240234375	232.0
482.6233825683594	156.0
498.1765441894531	1664.0
498.3279113769531	212.0
499.18218994140625	764.0
500.1817321777344	256.0
502.2007751464844	140.0
520.9447021484375	140.0
549.1913452148438	144.0
567.9828491210938	148.0
773.7265014648438	140.0
834.4306030273438	252.0
1062.123046875	144.0
1405.120361328125	156.0
1576.3289794921875	152.0
1576.7635498046875	208.0
1583.80517578125	152.0
1618.111572265625	156.0
1621.1954345703125	244.0
1651.5316162109375	224.0
1714.778076171875	192.0
1722.4678955078125	160.0
1727.1546630859375	160.0
1731.9305419921875	200.0
1734.855712890625	188.0
1796.1524658203125	160.0
1905.9346923828125	232.0
1917.2122802734375	188.0
1948.4058837890625	200.0
1956.3470458984375	244.0
1960.7423095703125	180.0
1987.1463623046875	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079036
PEPMASS=295.159729
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003352_G2_H11_BC7_01_15721.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=alosetron??monohydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1[nH]cnc1CN2CCc3c(C2=O)c4ccccc4n3C
INCHI=InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)
INCHIAUX=JSWZEAMFRNKZNL-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079036
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079036
SCANS=1056
45.28022003173828	172.0
45.51355743408203	160.0
45.82071304321289	96.0
46.14683151245117	304.0
46.33224868774414	196.0
46.66204071044922	176.0
47.10494613647461	220.0
47.621341705322266	148.0
47.63370132446289	160.0
47.6639289855957	200.0
47.674922943115234	176.0
47.77391815185547	192.0
47.789894104003906	196.0
48.35042953491211	160.0
48.4725456237793	156.0
49.45158767700195	176.0
50.06652069091797	152.0
50.43193435668945	192.0
50.70286560058594	140.0
50.7277717590332	168.0
51.257904052734375	144.0
51.55043411254883	184.0
51.674835205078125	188.0
52.473384857177734	168.0
52.606109619140625	148.0
53.40306854248047	168.0
53.602516174316406	156.0
53.910423278808594	240.0
54.31011199951172	164.0
54.32477951049805	140.0
54.42751693725586	196.0
54.52593994140625	140.0
54.72599792480469	152.0
55.06221389770508	216.0
55.09175491333008	140.0
55.15825271606445	196.0
55.21443557739258	140.0
56.919288635253906	184.0
57.770843505859375	168.0
57.80412673950195	180.0
57.860130310058594	236.0
58.605865478515625	212.0
58.8514289855957	204.0
60.05302810668945	148.0
61.29169845581055	160.0
61.80072021484375	192.0
61.8320198059082	148.0
62.231746673583984	144.0
62.56977462768555	164.0
63.72750473022461	248.0
64.55158996582031	164.0
66.53831481933594	148.0
66.71051788330078	240.0
68.15693664550781	140.0
68.1832275390625	188.0
69.40603637695312	200.0
69.46397399902344	100.0
69.6354751586914	224.0
69.7337646484375	128.0
70.54024505615234	152.0
71.5181655883789	200.0
71.59729766845703	196.0
71.76384735107422	124.0
71.8416976928711	152.0
72.99341583251953	252.0
74.20914459228516	172.0
74.27088165283203	192.0
75.76717376708984	168.0
75.9908218383789	140.0
76.65852355957031	164.0
76.96553039550781	224.0
77.57910919189453	184.0
77.79891204833984	304.0
77.94292449951172	160.0
78.45333099365234	168.0
80.54788970947266	200.0
82.15755462646484	140.0
82.69241333007812	244.0
82.75395965576172	160.0
83.76551818847656	164.0
84.27450561523438	152.0
84.5048828125	188.0
85.38353729248047	156.0
86.10413360595703	168.0
86.5257339477539	188.0
86.69429016113281	184.0
86.8351821899414	220.0
86.94835662841797	156.0
87.16004943847656	176.0
87.4687728881836	152.0
87.92914581298828	160.0
88.1738052368164	212.0
89.13140106201172	332.0
89.26298522949219	160.0
89.47370910644531	148.0
90.02995300292969	196.0
90.14896392822266	188.0
90.36640930175781	144.0
90.55950164794922	180.0
90.75089263916016	148.0
90.87228393554688	172.0
91.65754699707031	188.0
91.80242156982422	140.0
92.14217376708984	164.0
92.50935363769531	144.0
93.44204711914062	148.0
94.08573913574219	156.0
94.93709564208984	148.0
95.06090545654297	8600.0
95.11946868896484	164.0
95.15164947509766	104.0
95.58590698242188	160.0
96.06257629394531	448.0
96.40687561035156	188.0
96.60435485839844	160.0
96.89016723632812	232.0
98.7780532836914	212.0
99.174072265625	208.0
99.33269500732422	172.0
99.83121490478516	208.0
101.07395935058594	140.0
101.28221130371094	196.0
101.5217056274414	160.0
101.83173370361328	164.0
102.58831024169922	140.0
102.93936920166016	172.0
103.26473999023438	208.0
103.68788146972656	140.0
103.75882720947266	172.0
104.4106216430664	176.0
104.4788818359375	180.0
104.76683044433594	240.0
104.83814239501953	228.0
104.99307250976562	168.0
105.90460968017578	144.0
106.70902252197266	356.0
108.0599365234375	184.0
108.36842346191406	164.0
108.38500213623047	156.0
108.77074432373047	212.0
109.0636215209961	144.0
109.16549682617188	156.0
109.90287780761719	156.0
111.69829559326172	156.0
112.20369720458984	148.0
113.80496978759766	148.0
114.072998046875	208.0
115.05719757080078	200.0
115.91272735595703	248.0
116.31807708740234	240.0
117.06624603271484	244.0
117.90545654296875	244.0
119.45573425292969	160.0
120.06559753417969	188.0
120.11139678955078	144.0
120.65951538085938	140.0
120.8585433959961	196.0
121.02051544189453	160.0
121.40178680419922	296.0
122.13533782958984	152.0
122.17933654785156	192.0
122.24974060058594	220.0
122.65278625488281	148.0
123.54269409179688	164.0
123.74186706542969	244.0
123.76400756835938	148.0
123.98552703857422	164.0
124.51249694824219	196.0
125.01150512695312	160.0
125.06269836425781	160.0
125.81613159179688	180.0
126.14899444580078	176.0
126.67879486083984	136.0
127.78387451171875	176.0
128.64024353027344	156.0
128.66732788085938	184.0
129.9006805419922	188.0
130.0657958984375	480.0
130.8164520263672	172.0
131.07321166992188	444.0
131.8999786376953	184.0
131.99095153808594	236.0
132.07589721679688	136.0
132.12203979492188	188.0
132.208740234375	184.0
133.0820770263672	176.0
133.33935546875	188.0
133.53819274902344	116.0
133.845458984375	148.0
134.07350158691406	248.0
134.50018310546875	168.0
134.9229278564453	176.0
135.18429565429688	208.0
135.20742797851562	144.0
135.7425537109375	140.0
136.01632690429688	180.0
136.18814086914062	148.0
136.40655517578125	220.0
136.9137725830078	168.0
138.06663513183594	140.0
138.34027099609375	148.0
138.39892578125	160.0
138.63082885742188	204.0
139.2266845703125	144.0
139.80499267578125	180.0
139.93209838867188	176.0
140.56378173828125	172.0
141.0479278564453	160.0
141.28440856933594	176.0
141.39561462402344	248.0
141.97129821777344	168.0
142.0471954345703	152.0
142.0875244140625	172.0
142.32960510253906	208.0
143.07322692871094	1368.0
144.03240966796875	196.0
144.0810089111328	1108.0
145.0126190185547	232.0
145.08602905273438	512.0
145.52676391601562	152.0
145.61801147460938	160.0
146.09671020507812	6036.0
146.16612243652344	168.0
146.32342529296875	108.0
146.47080993652344	172.0
147.0999755859375	928.0
147.26300048828125	156.0
147.9503173828125	132.0
148.07080078125	156.0
148.14495849609375	136.0
149.44232177734375	180.0
150.0877685546875	192.0
150.8103790283203	140.0
151.05978393554688	196.0
151.61312866210938	176.0
154.06639099121094	404.0
155.56947326660156	144.0
155.95945739746094	188.0
156.08168029785156	316.0
156.63128662109375	160.0
156.6860809326172	192.0
156.9029083251953	164.0
157.0547637939453	156.0
157.0899658203125	580.0
157.21719360351562	148.0
157.35696411132812	156.0
157.5692596435547	192.0
157.61172485351562	164.0
157.7816925048828	164.0
157.89630126953125	212.0
157.979248046875	240.0
158.0971221923828	21132.0
158.45240783691406	148.0
159.10108947753906	2376.0
159.35702514648438	128.0
160.10385131835938	268.0
160.13192749023438	144.0
161.56918334960938	140.0
162.00714111328125	160.0
162.179443359375	156.0
162.71722412109375	156.0
163.9355926513672	144.0
163.9789276123047	152.0
164.864501953125	260.0
165.2506103515625	164.0
165.55776977539062	212.0
166.3500213623047	216.0
166.7532958984375	212.0
166.89724731445312	188.0
167.05494689941406	256.0
167.26513671875	212.0
167.54840087890625	240.0
168.08160400390625	776.0
168.58047485351562	192.0
169.50428771972656	176.0
170.05667114257812	156.0
170.08493041992188	448.0
171.0963134765625	520.0
171.37510681152344	164.0
172.0766143798828	1948.0
172.09954833984375	948.0
172.2255401611328	204.0
172.63063049316406	152.0
173.08140563964844	340.0
173.10800170898438	9428.0
174.0088653564453	148.0
174.1099090576172	1596.0
175.3411102294922	212.0
176.5860137939453	160.0
177.54208374023438	160.0
179.0595703125	152.0
179.1634521484375	180.0
180.06983947753906	180.0
180.2921142578125	180.0
181.0778350830078	1576.0
181.53155517578125	184.0
181.85081481933594	200.0
182.07815551757812	552.0
183.02719116210938	168.0
183.08949279785156	1212.0
183.66159057617188	212.0
183.844970703125	144.0
184.0760498046875	780.0
185.00999450683594	172.0
185.0788116455078	280.0
185.1079864501953	800.0
185.60874938964844	180.0
185.89085388183594	152.0
185.9804229736328	180.0
186.1067657470703	304.0
188.8248748779297	140.0
189.49005126953125	164.0
189.78330993652344	168.0
189.8546142578125	140.0
189.9972381591797	140.0
190.5875244140625	164.0
194.10411071777344	140.0
195.64889526367188	176.0
196.65797424316406	164.0
197.9383544921875	248.0
198.07687377929688	124.0
198.3463592529297	164.0
198.63059997558594	140.0
198.7596435546875	176.0
198.82699584960938	208.0
198.86695861816406	184.0
199.025146484375	148.0
199.08697509765625	32936.0
199.1966094970703	104.0
199.51235961914062	152.0
199.7723388671875	140.0
199.82733154296875	156.0
199.99899291992188	212.0
200.09042358398438	3416.0
200.34817504882812	140.0
200.4918670654297	148.0
200.56915283203125	188.0
200.62515258789062	120.0
200.68637084960938	156.0
200.73316955566406	168.0
200.83633422851562	212.0
200.8968505859375	152.0
200.9530792236328	164.0
201.03826904296875	248.0
201.10342407226562	217360.0
201.17221069335938	380.0
201.20301818847656	232.0
201.29713439941406	128.0
201.36146545410156	204.0
201.392333984375	392.0
201.42820739746094	160.0
201.46142578125	96.0
201.5258331298828	144.0
201.56715393066406	860.0
201.6046905517578	168.0
201.6922607421875	188.0
201.72793579101562	100.0
201.94007873535156	112.0
201.99696350097656	100.0
202.06552124023438	180.0
202.10586547851562	24460.0
202.2248992919922	152.0
202.265380859375	248.0
202.5389404296875	148.0
202.58993530273438	120.0
202.67349243164062	96.0
202.73045349121094	112.0
202.88209533691406	112.0
203.10748291015625	2912.0
203.17803955078125	180.0
203.3341064453125	144.0
203.41461181640625	136.0
203.51467895507812	140.0
203.59280395507812	160.0
203.62522888183594	100.0
203.67947387695312	156.0
203.7025604248047	172.0
203.77337646484375	184.0
203.8799591064453	212.0
204.1143341064453	616.0
204.41969299316406	96.0
204.6046905517578	140.0
211.08961486816406	168.0
211.97215270996094	156.0
212.75816345214844	176.0
213.10267639160156	8724.0
213.6924591064453	108.0
214.1059112548828	1148.0
214.88267517089844	212.0
215.11520385742188	112.0
215.77825927734375	148.0
221.23074340820312	152.0
226.1302490234375	176.0
227.38601684570312	188.0
229.5279083251953	192.0
239.88519287109375	208.0
240.6101531982422	148.0
246.4054412841797	168.0
251.080810546875	164.0
252.15728759765625	176.0
254.09063720703125	144.0
255.2594757080078	240.0
258.8077087402344	180.0
262.49005126953125	160.0
270.109375	160.0
270.289306640625	172.0
275.1042175292969	152.0
279.0835876464844	128.0
279.22186279296875	176.0
280.11151123046875	208.0
292.72857666015625	140.0
292.7830505371094	236.0
293.0112609863281	184.0
293.1404113769531	9556.0
293.2432556152344	144.0
293.47479248046875	144.0
294.1430358886719	2768.0
294.2345275878906	200.0
294.3516845703125	164.0
294.5736999511719	120.0
294.7821044921875	148.0
294.8538818359375	144.0
294.9244384765625	180.0
295.0623779296875	148.0
295.1560974121094	53064.0
295.2362365722656	180.0
295.271484375	208.0
295.3302917480469	96.0
295.72747802734375	120.0
295.8429870605469	112.0
296.0854797363281	160.0
296.1575622558594	6576.0
296.48797607421875	124.0
297.1607666015625	1184.0
297.9847412109375	136.0
298.2933654785156	124.0
309.21435546875	152.0
1202.6688232421875	204.0
1239.879150390625	156.0
1251.1597900390625	152.0
1338.477783203125	144.0
1357.997314453125	212.0
1394.2777099609375	168.0
1398.12255859375	180.0
1402.859619140625	200.0
1441.966796875	148.0
1444.35595703125	140.0
1477.1025390625	164.0
1498.5057373046875	160.0
1511.678466796875	140.0
1527.5601806640625	192.0
1528.0892333984375	148.0
1535.80908203125	140.0
1547.1396484375	144.0
1557.5377197265625	140.0
1563.66259765625	216.0
1576.66748046875	188.0
1596.7490234375	176.0
1603.444580078125	200.0
1636.488037109375	188.0
1643.32275390625	140.0
1650.6488037109375	172.0
1668.99853515625	184.0
1671.023681640625	180.0
1677.123046875	216.0
1682.7763671875	164.0
1688.0792236328125	140.0
1691.5809326171875	172.0
1697.1683349609375	156.0
1713.647705078125	156.0
1733.16357421875	144.0
1752.1400146484375	188.0
1758.5357666015625	164.0
1779.1107177734375	172.0
1782.0501708984375	140.0
1788.011962890625	192.0
1791.2320556640625	156.0
1820.0589599609375	152.0
1825.8800048828125	140.0
1833.508056640625	172.0
1834.4114990234375	148.0
1834.76953125	160.0
1835.298095703125	200.0
1845.091064453125	144.0
1847.7421875	172.0
1850.84912109375	144.0
1864.69482421875	140.0
1870.8104248046875	152.0
1874.936279296875	172.0
1895.070068359375	184.0
1895.1654052734375	212.0
1903.726806640625	144.0
1904.6734619140625	168.0
1906.089599609375	156.0
1918.0909423828125	160.0
1922.4168701171875	184.0
1929.3519287109375	172.0
1936.34326171875	204.0
1936.4736328125	160.0
1937.19287109375	196.0
1940.0146484375	204.0
1941.90869140625	284.0
1943.277099609375	152.0
1945.7081298828125	176.0
1955.1220703125	272.0
1961.347900390625	176.0
1980.7530517578125	192.0
1983.5	148.0
1986.3109130859375	208.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079037
PEPMASS=309.18692
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=BESTATIN [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O
INCHI=InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
INCHIAUX=VGGGPCQERPFHOB-RDBSUJKOSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079037
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079037
SCANS=1059
44.980674743652344	148.0
45.32438659667969	184.0
45.439697265625	184.0
45.45579528808594	140.0
45.5941162109375	208.0
45.64788818359375	148.0
45.72726058959961	152.0
46.2550163269043	164.0
46.443363189697266	140.0
46.69871520996094	200.0
46.73816680908203	140.0
46.9506721496582	152.0
46.99159622192383	216.0
47.16639709472656	196.0
47.54304122924805	192.0
47.885372161865234	140.0
48.10874938964844	184.0
48.27455139160156	232.0
48.32157897949219	164.0
48.43648147583008	148.0
49.371795654296875	160.0
49.83297348022461	172.0
49.95796585083008	212.0
50.123390197753906	280.0
50.443199157714844	156.0
50.644561767578125	208.0
50.69512939453125	144.0
50.788700103759766	224.0
51.04803466796875	220.0
51.31772232055664	140.0
51.54753112792969	188.0
51.7835807800293	148.0
52.25729751586914	164.0
52.300472259521484	184.0
52.54977798461914	160.0
52.94295120239258	152.0
53.07917022705078	316.0
53.27446365356445	172.0
53.65494155883789	140.0
53.673072814941406	160.0
53.970306396484375	164.0
54.15909194946289	140.0
54.17520523071289	192.0
54.361412048339844	172.0
54.75834655761719	152.0
54.829063415527344	148.0
55.19072723388672	156.0
55.25580596923828	192.0
55.40681457519531	156.0
55.42338180541992	176.0
55.93846130371094	180.0
56.179874420166016	220.0
56.37397384643555	180.0
56.508548736572266	156.0
56.56541442871094	160.0
56.580387115478516	196.0
57.48070526123047	156.0
57.841915130615234	160.0
58.083187103271484	176.0
58.610382080078125	148.0
58.788795471191406	192.0
59.091339111328125	144.0
59.18623352050781	152.0
59.26588439941406	224.0
59.296531677246094	144.0
59.465240478515625	204.0
59.83723831176758	160.0
60.15068435668945	100.0
61.59430694580078	156.0
61.94294738769531	136.0
63.269100189208984	232.0
63.541648864746094	152.0
64.03605651855469	220.0
64.31743621826172	244.0
64.45881652832031	176.0
64.52114868164062	148.0
64.59790802001953	108.0
64.73395538330078	172.0
65.50004577636719	168.0
65.85328674316406	148.0
66.2625503540039	168.0
66.38897705078125	172.0
66.4814453125	188.0
66.74623107910156	176.0
66.76737213134766	164.0
67.03272247314453	160.0
67.22187805175781	148.0
67.37045288085938	192.0
67.66973876953125	160.0
67.69266510009766	144.0
68.01235961914062	184.0
68.3377456665039	160.0
68.57211303710938	148.0
68.58970642089844	216.0
69.23738098144531	148.0
69.63640594482422	220.0
69.94966888427734	140.0
70.24127960205078	156.0
70.51009368896484	156.0
70.70075225830078	188.0
71.01068878173828	188.0
71.05659484863281	272.0
71.32634735107422	144.0
71.49958801269531	188.0
71.86570739746094	120.0
72.02562713623047	180.0
72.4366683959961	160.0
72.47055053710938	164.0
72.7945327758789	168.0
72.87946319580078	176.0
73.45318603515625	140.0
74.34630584716797	164.0
74.3720474243164	180.0
74.66834259033203	220.0
74.8707275390625	152.0
75.05502319335938	140.0
75.2240982055664	212.0
75.30525207519531	172.0
75.4148941040039	124.0
76.14177703857422	140.0
76.16863250732422	136.0
76.29816436767578	152.0
76.79033660888672	204.0
76.95498657226562	260.0
77.01435852050781	172.0
77.70582580566406	168.0
78.06063079833984	240.0
78.93173217773438	148.0
79.13166809082031	156.0
79.47728729248047	148.0
79.59976959228516	164.0
79.64088439941406	132.0
79.86634826660156	140.0
79.90370178222656	176.0
79.93038940429688	252.0
80.00514221191406	168.0
80.47596740722656	144.0
80.81719970703125	200.0
81.24359893798828	204.0
81.58660888671875	196.0
81.7232894897461	160.0
82.10157012939453	208.0
82.3379898071289	212.0
82.40843200683594	168.0
82.42288970947266	188.0
82.45361328125	148.0
82.53857421875	176.0
82.64167022705078	188.0
82.8408203125	168.0
82.8770523071289	156.0
82.98399353027344	172.0
83.2035140991211	248.0
83.3379135131836	144.0
83.71444702148438	176.0
83.90940856933594	164.0
84.00788879394531	144.0
84.431640625	252.0
84.44627380371094	152.0
84.97933959960938	180.0
85.10231018066406	224.0
85.30072021484375	184.0
85.8493881225586	180.0
86.0948257446289	200.0
86.1834945678711	164.0
86.27220153808594	188.0
86.51639556884766	196.0
86.60527801513672	160.0
87.13396453857422	148.0
87.19528198242188	160.0
87.37379455566406	208.0
87.45008850097656	156.0
88.02801513671875	148.0
88.51232147216797	212.0
88.5270004272461	196.0
88.66458892822266	156.0
89.3663558959961	140.0
89.50094604492188	156.0
89.7392807006836	160.0
90.11109161376953	140.0
90.16967010498047	176.0
90.72806549072266	188.0
90.82889556884766	184.0
91.01834869384766	196.0
91.05403137207031	1024.0
91.1969223022461	144.0
91.44798278808594	172.0
91.6639404296875	128.0
91.81950378417969	148.0
92.03819274902344	156.0
92.31603240966797	144.0
92.36408996582031	136.0
92.3963623046875	156.0
92.52267456054688	220.0
92.54181671142578	176.0
93.07052612304688	500.0
93.3111801147461	176.0
93.48429107666016	160.0
93.6556396484375	156.0
94.041259765625	168.0
94.35612487792969	244.0
94.41799926757812	164.0
94.55923461914062	192.0
94.75093078613281	152.0
94.8032455444336	200.0
94.86139678955078	236.0
94.98355865478516	224.0
95.34080505371094	176.0
95.38939666748047	144.0
95.7165298461914	188.0
95.74935150146484	140.0
95.76687622070312	192.0
95.93743896484375	128.0
96.18804168701172	168.0
96.25155639648438	128.0
96.46347045898438	196.0
96.54559326171875	152.0
96.61991882324219	176.0
97.52587127685547	188.0
97.5695571899414	180.0
97.79139709472656	152.0
97.95679473876953	148.0
98.0237808227539	172.0
98.0809326171875	212.0
98.47882843017578	164.0
98.8135757446289	164.0
98.95450592041016	136.0
99.00016784667969	180.0
99.59263610839844	184.0
99.62442016601562	140.0
99.89875030517578	168.0
100.29524230957031	136.0
100.80192565917969	160.0
100.8259048461914	148.0
100.92385864257812	172.0
101.35820770263672	172.0
101.82963562011719	148.0
101.95218658447266	144.0
102.03180694580078	200.0
102.0456314086914	164.0
102.7219009399414	136.0
103.0546875	5876.0
103.16961669921875	144.0
103.51154327392578	148.0
104.02042388916016	192.0
104.05833435058594	1148.0
104.11991882324219	168.0
104.19710540771484	180.0
104.41663360595703	212.0
104.61511993408203	124.0
104.97517395019531	120.0
105.07134246826172	412.0
105.11565399169922	120.0
105.15007019042969	220.0
105.39676666259766	264.0
105.97006225585938	196.0
106.0233383178711	200.0
106.07662963867188	316.0
106.154541015625	168.0
106.30634307861328	156.0
106.50959777832031	148.0
106.59382629394531	192.0
106.78707122802734	168.0
106.9063949584961	192.0
106.92724609375	180.0
107.32661437988281	184.0
107.60308837890625	272.0
108.16951751708984	204.0
108.43257141113281	216.0
108.61502838134766	160.0
108.72291564941406	164.0
108.93885040283203	144.0
109.03443145751953	144.0
109.1773681640625	228.0
109.68797302246094	212.0
109.76094818115234	164.0
110.20135498046875	232.0
110.34765625	144.0
110.55473327636719	184.0
110.80181121826172	156.0
111.14566040039062	164.0
111.43751525878906	168.0
112.07503509521484	152.0
113.60147094726562	184.0
114.03675842285156	148.0
114.07077026367188	232.0
114.14517974853516	164.0
114.31322479248047	204.0
114.64543151855469	144.0
114.66887664794922	148.0
115.05525207519531	1256.0
115.11901092529297	144.0
115.42671966552734	192.0
115.85478210449219	172.0
115.87620544433594	176.0
115.95763397216797	164.0
116.01764678955078	156.0
116.03482055664062	828.0
116.05409240722656	180.0
116.10102844238281	176.0
116.18063354492188	180.0
116.25572967529297	196.0
116.51338958740234	176.0
117.03386688232422	152.0
117.06892395019531	444.0
117.29669952392578	228.0
118.06566619873047	380.0
118.27735900878906	204.0
118.3206558227539	208.0
118.34880065917969	188.0
118.58492279052734	180.0
119.03616333007812	144.0
119.07244873046875	344.0
119.29470825195312	160.0
119.34906005859375	164.0
119.55570983886719	208.0
119.6507568359375	112.0
119.66936492919922	180.0
119.71586608886719	180.0
119.73858642578125	208.0
119.8039321899414	204.0
119.88260650634766	220.0
119.9220199584961	144.0
120.00231170654297	140.0
120.04105377197266	152.0
120.08199310302734	143432.0
120.15400695800781	116.0
120.23967742919922	212.0
120.28244018554688	244.0
120.32939147949219	128.0
120.37557220458984	168.0
120.41863250732422	120.0
120.43949890136719	1984.0
120.47350311279297	112.0
120.54145812988281	120.0
120.66957092285156	148.0
120.79175567626953	100.0
120.85760498046875	136.0
120.88031768798828	164.0
120.91371154785156	156.0
120.95880126953125	140.0
121.08387756347656	18212.0
121.25698852539062	144.0
121.2953872680664	116.0
121.33450317382812	132.0
121.46528625488281	144.0
121.55399322509766	100.0
121.6441650390625	100.0
121.68775177001953	148.0
121.76431274414062	100.0
121.78917694091797	228.0
121.80889129638672	328.0
121.8537826538086	128.0
121.92093658447266	272.0
121.96806335449219	148.0
122.00118255615234	96.0
122.08741760253906	732.0
124.13616180419922	148.0
124.34063720703125	116.0
125.85174560546875	140.0
126.09210205078125	540.0
127.19721984863281	152.0
127.29825592041016	168.0
127.47571563720703	148.0
127.52515411376953	140.0
128.26116943359375	148.0
128.4212646484375	196.0
129.1892547607422	140.0
130.08570861816406	424.0
130.5319366455078	220.0
130.6028289794922	120.0
130.6925811767578	168.0
130.98257446289062	172.0
131.068115234375	268.0
131.0884246826172	224.0
131.4316864013672	196.0
131.69650268554688	156.0
131.91128540039062	144.0
132.08157348632812	1468.0
132.10195922851562	7536.0
132.1410369873047	220.0
132.272705078125	180.0
132.41236877441406	148.0
132.70797729492188	168.0
133.06414794921875	3496.0
133.099853515625	276.0
133.4033660888672	196.0
133.74403381347656	184.0
134.0658721923828	692.0
134.0952911376953	364.0
134.14422607421875	120.0
135.38638305664062	148.0
136.23216247558594	236.0
136.6925048828125	212.0
136.80189514160156	152.0
136.82284545898438	144.0
137.98468017578125	156.0
139.2500457763672	148.0
139.3557586669922	236.0
139.46653747558594	140.0
140.1083984375	476.0
140.5458984375	180.0
140.97218322753906	148.0
141.10675048828125	116.0
141.9474639892578	184.0
142.06129455566406	320.0
142.5765380859375	148.0
144.05616760253906	220.0
144.1024932861328	15604.0
144.16683959960938	176.0
144.24000549316406	104.0
144.42189025878906	164.0
145.10455322265625	824.0
145.5890655517578	196.0
146.1062774658203	172.0
146.19630432128906	120.0
146.5584716796875	172.0
146.71029663085938	260.0
146.85980224609375	236.0
148.08763122558594	164.0
148.16029357910156	180.0
148.7471466064453	220.0
149.11390686035156	172.0
149.29002380371094	144.0
149.9535675048828	144.0
150.09120178222656	5684.0
150.9422607421875	148.0
151.09092712402344	392.0
151.17709350585938	164.0
152.23855590820312	148.0
154.09165954589844	148.0
155.7121124267578	136.0
156.6685028076172	156.0
157.0050048828125	188.0
157.50917053222656	172.0
158.09532165527344	304.0
158.224365234375	164.0
158.7254638671875	140.0
159.569091796875	172.0
159.61434936523438	168.0
159.77281188964844	144.0
160.07595825195312	492.0
161.05686950683594	160.0
161.07861328125	272.0
161.1087646484375	120.0
161.38693237304688	144.0
162.08047485351562	168.0
162.95074462890625	156.0
162.98123168945312	172.0
163.29954528808594	148.0
163.50506591796875	140.0
163.58143615722656	140.0
164.24139404296875	156.0
164.82347106933594	156.0
165.77536010742188	148.0
165.9035186767578	152.0
166.30880737304688	180.0
167.272705078125	168.0
168.42532348632812	260.0
168.6604461669922	168.0
170.718994140625	176.0
171.0780487060547	160.0
171.5599822998047	160.0
171.96951293945312	148.0
172.07603454589844	1336.0
172.09632873535156	5396.0
172.36962890625	188.0
173.09925842285156	600.0
174.02972412109375	260.0
174.10630798339844	96.0
174.98147583007812	144.0
176.14028930664062	164.0
176.5937957763672	200.0
177.23443603515625	188.0
177.37489318847656	152.0
178.51119995117188	164.0
179.53378295898438	204.0
179.89932250976562	148.0
180.9151611328125	176.0
181.08290100097656	168.0
181.126708984375	176.0
181.79429626464844	176.0
182.033203125	148.0
183.3244171142578	180.0
184.04193115234375	144.0
185.73333740234375	196.0
186.10513305664062	140.0
187.10980224609375	144.0
188.14590454101562	536.0
188.65245056152344	140.0
189.0134735107422	152.0
189.80641174316406	192.0
189.87911987304688	152.0
190.05743408203125	156.0
190.10731506347656	12720.0
190.8759765625	144.0
191.111328125	1340.0
192.1125946044922	276.0
192.22398376464844	184.0
193.07102966308594	168.0
193.1484832763672	192.0
193.4002685546875	144.0
195.07203674316406	152.0
195.10069274902344	160.0
196.09713745117188	2016.0
196.32022094726562	208.0
196.5908203125	180.0
196.6103515625	216.0
197.1000518798828	616.0
198.09397888183594	140.0
200.1439666748047	384.0
200.30291748046875	180.0
201.51315307617188	200.0
201.83819580078125	168.0
202.83473205566406	144.0
203.65475463867188	180.0
203.95025634765625	152.0
205.3083038330078	204.0
205.6592254638672	168.0
207.3094024658203	156.0
207.49571228027344	188.0
208.96331787109375	192.0
209.65545654296875	204.0
210.47071838378906	232.0
210.6422576904297	136.0
210.6902313232422	144.0
210.96420288085938	132.0
211.54331970214844	140.0
212.8479766845703	156.0
213.5193328857422	140.0
213.67051696777344	140.0
214.88540649414062	184.0
215.44593811035156	180.0
217.00582885742188	192.0
218.04791259765625	184.0
218.15078735351562	160.0
218.5742950439453	172.0
220.18089294433594	168.0
223.07569885253906	144.0
223.6230010986328	236.0
223.78076171875	184.0
224.979248046875	156.0
225.00611877441406	172.0
226.56423950195312	160.0
228.07061767578125	140.0
228.13900756835938	1064.0
229.14010620117188	124.0
229.397705078125	148.0
229.64833068847656	140.0
229.7750244140625	172.0
230.8956756591797	176.0
230.91986083984375	180.0
231.60691833496094	144.0
233.1573028564453	140.0
235.86990356445312	144.0
236.00747680664062	176.0
236.06863403320312	160.0
237.10610961914062	304.0
238.72425842285156	176.0
242.3295135498047	208.0
243.86868286132812	148.0
244.63076782226562	144.0
245.16387939453125	264.0
245.824462890625	152.0
246.147705078125	2256.0
246.88970947265625	196.0
247.0554962158203	180.0
247.1531982421875	340.0
248.14669799804688	148.0
248.21746826171875	180.0
249.76260375976562	144.0
250.4802703857422	180.0
251.87448120117188	160.0
253.7669219970703	156.0
254.1062774658203	204.0
254.81744384765625	168.0
255.97203063964844	180.0
256.2268371582031	152.0
256.4307861328125	144.0
259.2495422363281	164.0
260.8080139160156	220.0
261.5472717285156	148.0
262.1126708984375	188.0
262.2738342285156	212.0
262.5704345703125	152.0
262.5948791503906	236.0
263.1747131347656	6988.0
264.0600280761719	196.0
264.1775817871094	1196.0
264.47991943359375	148.0
265.0758056640625	168.0
265.17950439453125	160.0
265.4226379394531	148.0
265.99688720703125	144.0
266.39630126953125	180.0
267.2806091308594	144.0
268.15081787109375	180.0
269.1529235839844	108.0
269.2430114746094	176.0
271.0581970214844	160.0
272.0753173828125	160.0
273.17291259765625	156.0
274.1445617675781	2120.0
274.2925109863281	208.0
275.1424255371094	368.0
276.18121337890625	152.0
276.3697814941406	204.0
276.7471008300781	196.0
277.0021057128906	172.0
277.15447998046875	164.0
277.3699035644531	148.0
277.5157775878906	148.0
278.7704772949219	236.0
278.90673828125	148.0
279.6051940917969	172.0
279.821533203125	144.0
279.9680480957031	188.0
281.14483642578125	176.0
281.52099609375	132.0
282.1602783203125	156.0
282.2271423339844	180.0
283.1205749511719	152.0
284.9953918457031	136.0
285.02593994140625	152.0
285.48309326171875	164.0
285.7757263183594	172.0
286.2469787597656	256.0
287.2378234863281	176.0
290.1324768066406	168.0
290.18115234375	136.0
290.2545471191406	176.0
291.02215576171875	188.0
291.16937255859375	2416.0
291.6532287597656	148.0
291.8738708496094	160.0
291.9293212890625	208.0
292.1549377441406	2052.0
292.5682678222656	180.0
292.67041015625	148.0
293.15264892578125	392.0
293.8192138671875	116.0
294.6246643066406	148.0
294.8501892089844	176.0
295.3801574707031	172.0
296.57171630859375	164.0
296.8425598144531	188.0
297.6935729980469	196.0
298.6325378417969	128.0
298.7487487792969	200.0
301.9461975097656	228.0
302.09698486328125	188.0
302.3959655761719	204.0
302.7040710449219	156.0
303.1197509765625	172.0
304.0248107910156	180.0
304.5212707519531	160.0
305.7686767578125	132.0
305.9713134765625	212.0
306.2812194824219	144.0
306.5770568847656	120.0
306.9141540527344	120.0
307.0867614746094	180.0
307.1444091796875	144.0
307.3857421875	128.0
307.5452575683594	100.0
307.5831298828125	160.0
307.81768798828125	180.0
307.8589172363281	120.0
307.89324951171875	252.0
307.9554443359375	220.0
307.982177734375	152.0
308.0316467285156	144.0
308.1424560546875	112.0
308.1855163574219	536.0
308.3070983886719	220.0
308.4034118652344	232.0
308.4292907714844	388.0
308.4876403808594	140.0
308.5641784667969	116.0
308.61279296875	112.0
308.6817932128906	112.0
308.7541809082031	240.0
308.8157958984375	316.0
308.9195556640625	180.0
308.9501647949219	112.0
309.01141357421875	292.0
309.0433654785156	272.0
309.08758544921875	424.0
309.098388671875	180.0
309.13580322265625	524.0
309.18255615234375	189004.0
309.2854919433594	136.0
309.42041015625	212.0
309.4861145019531	272.0
309.5106506347656	432.0
309.5574645996094	240.0
309.5841064453125	344.0
309.69183349609375	292.0
309.71600341796875	356.0
309.7594299316406	7312.0
309.8114318847656	332.0
309.8849182128906	128.0
309.9501037597656	160.0
310.014892578125	124.0
310.0399475097656	240.0
310.0835266113281	160.0
310.12432861328125	332.0
310.1850280761719	62756.0
310.3180236816406	132.0
310.3509521484375	172.0
310.4111633300781	204.0
310.6014404296875	112.0
310.6490173339844	196.0
310.70819091796875	156.0
310.74847412109375	96.0
310.8747253417969	116.0
310.95513916015625	272.0
310.9842834472656	148.0
311.03106689453125	128.0
311.18658447265625	9484.0
311.41766357421875	140.0
311.5334167480469	124.0
311.6786804199219	128.0
311.7333679199219	136.0
311.8020324707031	172.0
311.9391784667969	192.0
312.14471435546875	196.0
312.1907653808594	220.0
312.2102966308594	232.0
312.2510986328125	144.0
312.30120849609375	232.0
312.32537841796875	168.0
312.3623046875	240.0
312.4286804199219	96.0
312.4814453125	128.0
312.5299072265625	228.0
312.7308349609375	152.0
313.1788330078125	120.0
313.2113952636719	148.0
313.33892822265625	140.0
313.47705078125	112.0
315.4250793457031	132.0
329.8207702636719	148.0
331.27679443359375	100.0
349.2671813964844	168.0
471.6886901855469	140.0
1010.1176147460938	172.0
1058.310791015625	148.0
1104.8995361328125	156.0
1128.0020751953125	204.0
1166.500244140625	160.0
1274.377685546875	224.0
1277.2425537109375	160.0
1277.7618408203125	164.0
1281.5068359375	152.0
1301.6776123046875	160.0
1306.852783203125	164.0
1330.725830078125	144.0
1360.8360595703125	148.0
1368.00390625	168.0
1380.369384765625	144.0
1388.1224365234375	168.0
1393.1767578125	152.0
1397.6822509765625	188.0
1404.6182861328125	216.0
1409.6129150390625	148.0
1418.481689453125	240.0
1425.0257568359375	180.0
1435.2242431640625	224.0
1457.0445556640625	228.0
1465.8858642578125	152.0
1466.327880859375	216.0
1466.4879150390625	256.0
1468.39404296875	148.0
1468.8897705078125	188.0
1471.6295166015625	240.0
1475.1361083984375	192.0
1488.72802734375	144.0
1491.639892578125	164.0
1493.8160400390625	140.0
1497.2796630859375	212.0
1507.7177734375	152.0
1512.70654296875	184.0
1521.5672607421875	172.0
1532.385498046875	168.0
1533.5933837890625	204.0
1547.8038330078125	152.0
1550.584716796875	188.0
1554.0194091796875	152.0
1555.5654296875	156.0
1556.9315185546875	164.0
1557.6619873046875	212.0
1565.0230712890625	196.0
1565.172607421875	180.0
1565.235595703125	204.0
1567.0472412109375	152.0
1568.2607421875	140.0
1568.4420166015625	172.0
1568.7967529296875	156.0
1570.0740966796875	164.0
1571.56494140625	236.0
1576.6424560546875	156.0
1581.2530517578125	180.0
1588.2808837890625	156.0
1589.407470703125	156.0
1593.750732421875	244.0
1597.113525390625	168.0
1598.10791015625	184.0
1600.296630859375	208.0
1608.172607421875	164.0
1609.5377197265625	160.0
1615.9879150390625	148.0
1617.7806396484375	148.0
1618.6453857421875	176.0
1626.9034423828125	144.0
1629.8509521484375	216.0
1643.0712890625	148.0
1646.8087158203125	160.0
1649.7822265625	144.0
1650.4208984375	168.0
1650.5906982421875	172.0
1653.3896484375	200.0
1657.1064453125	164.0
1660.9732666015625	164.0
1661.7115478515625	164.0
1668.4766845703125	204.0
1669.5662841796875	144.0
1670.5504150390625	148.0
1672.2509765625	204.0
1672.6253662109375	192.0
1677.1949462890625	168.0
1677.4884033203125	156.0
1678.98046875	148.0
1687.3092041015625	168.0
1688.7484130859375	180.0
1691.08837890625	228.0
1691.1947021484375	224.0
1698.67578125	156.0
1699.6029052734375	180.0
1706.354248046875	160.0
1710.105224609375	168.0
1710.228759765625	196.0
1711.2989501953125	144.0
1718.700439453125	148.0
1720.6812744140625	184.0
1728.1610107421875	148.0
1728.8974609375	168.0
1729.2037353515625	144.0
1733.6510009765625	212.0
1733.7669677734375	180.0
1735.632080078125	140.0
1737.0538330078125	112.0
1737.473388671875	216.0
1737.78857421875	164.0
1741.00927734375	164.0
1741.2418212890625	144.0
1741.6405029296875	176.0
1744.000244140625	164.0
1744.997802734375	156.0
1749.2071533203125	152.0
1753.988525390625	144.0
1754.439697265625	156.0
1758.70947265625	148.0
1759.7529296875	144.0
1763.4368896484375	188.0
1763.8214111328125	140.0
1763.9049072265625	160.0
1778.16064453125	232.0
1781.2420654296875	160.0
1782.1072998046875	152.0
1782.174560546875	148.0
1783.54443359375	216.0
1788.018798828125	160.0
1790.216064453125	172.0
1791.1424560546875	144.0
1792.128173828125	236.0
1792.6085205078125	140.0
1796.6640625	184.0
1796.7398681640625	152.0
1796.8748779296875	144.0
1798.376953125	168.0
1798.8580322265625	152.0
1800.5701904296875	144.0
1801.88134765625	276.0
1807.9947509765625	172.0
1808.1005859375	136.0
1810.4752197265625	208.0
1810.678466796875	164.0
1815.780517578125	148.0
1816.3062744140625	176.0
1817.9013671875	168.0
1818.1219482421875	160.0
1820.142333984375	140.0
1824.97705078125	176.0
1825.4871826171875	152.0
1826.5843505859375	180.0
1826.822509765625	188.0
1827.37548828125	180.0
1828.796630859375	208.0
1828.8988037109375	148.0
1829.3753662109375	176.0
1831.5809326171875	148.0
1831.9453125	184.0
1835.71435546875	180.0
1839.4638671875	144.0
1842.5255126953125	148.0
1852.7574462890625	224.0
1853.2457275390625	168.0
1855.62841796875	188.0
1858.63037109375	160.0
1863.8079833984375	160.0
1864.7103271484375	168.0
1866.7391357421875	148.0
1869.453369140625	124.0
1870.9947509765625	168.0
1876.615478515625	236.0
1880.6268310546875	184.0
1883.64892578125	180.0
1884.0462646484375	152.0
1885.074462890625	228.0
1887.80615234375	144.0
1888.58447265625	144.0
1888.6968994140625	144.0
1893.1280517578125	140.0
1894.36669921875	144.0
1898.6483154296875	224.0
1898.7611083984375	176.0
1902.4921875	148.0
1910.1898193359375	192.0
1912.21875	252.0
1912.340576171875	184.0
1914.41259765625	152.0
1921.56005859375	148.0
1924.152099609375	216.0
1928.2489013671875	180.0
1929.1405029296875	164.0
1935.045654296875	164.0
1935.308349609375	144.0
1936.5517578125	160.0
1936.69189453125	164.0
1937.4453125	212.0
1943.126220703125	144.0
1944.6549072265625	200.0
1945.443115234375	204.0
1946.0225830078125	140.0
1946.7864990234375	156.0
1947.0235595703125	140.0
1950.6962890625	180.0
1956.5286865234375	156.0
1956.748779296875	168.0
1957.4971923828125	148.0
1958.8182373046875	212.0
1959.5494384765625	152.0
1959.681640625	192.0
1963.50732421875	216.0
1965.315185546875	176.0
1965.695068359375	152.0
1966.524658203125	176.0
1968.3343505859375	168.0
1968.9967041015625	168.0
1972.2745361328125	240.0
1972.371826171875	188.0
1974.0604248046875	184.0
1974.6441650390625	152.0
1979.316650390625	172.0
1979.4671630859375	176.0
1980.3792724609375	140.0
1982.298583984375	204.0
1982.567626953125	180.0
1982.8511962890625	156.0
1983.099365234375	180.0
1983.653564453125	124.0
1983.8350830078125	164.0
1983.959228515625	144.0
1985.1029052734375	208.0
1985.2802734375	176.0
1990.373779296875	252.0
1993.66943359375	188.0
1993.962646484375	164.0
1994.80712890625	144.0
1994.9493408203125	196.0
1997.8839111328125	180.0
2000.8385009765625	176.0
2002.0850830078125	156.0
2002.2454833984375	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079038
PEPMASS=173.109528
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=23.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Tryptoline [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C1Cc2c(CN1)[nH]c3ccccc23
INCHI=InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
INCHIAUX=CFTOTSJVQRFXOF-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079038
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079038
SCANS=1017
45.265567779541016	140.0
45.510948181152344	260.0
45.730072021484375	156.0
45.93488311767578	216.0
46.486900329589844	172.0
47.844017028808594	164.0
48.013668060302734	148.0
48.03849792480469	140.0
48.38260269165039	144.0
49.85277557373047	164.0
50.820045471191406	172.0
51.36491775512695	152.0
51.55571746826172	188.0
51.59912109375	148.0
53.04451370239258	184.0
53.05466079711914	160.0
53.15909194946289	188.0
54.042118072509766	180.0
54.10504913330078	160.0
54.36448669433594	168.0
55.00619888305664	168.0
55.060829162597656	288.0
55.586368560791016	200.0
56.758827209472656	172.0
56.9118766784668	152.0
56.95392608642578	148.0
57.27732467651367	164.0
57.693817138671875	168.0
58.25452423095703	168.0
59.152706146240234	144.0
59.342674255371094	152.0
59.88359069824219	144.0
59.905155181884766	160.0
60.47957992553711	204.0
60.57093811035156	172.0
60.640663146972656	184.0
60.7569580078125	160.0
61.01165008544922	152.0
62.18162155151367	148.0
62.7857551574707	144.0
63.84047317504883	176.0
65.02750396728516	208.0
65.4180908203125	196.0
67.1046142578125	156.0
68.05850219726562	144.0
68.77627563476562	152.0
70.8415756225586	152.0
70.8561782836914	168.0
70.9236831665039	184.0
71.30804443359375	172.0
72.03257751464844	148.0
72.56735229492188	172.0
72.8797378540039	160.0
72.93063354492188	196.0
73.44996643066406	192.0
73.67017364501953	200.0
74.51820373535156	188.0
74.8432846069336	184.0
74.88461303710938	152.0
74.98970794677734	160.0
75.658203125	312.0
76.24099731445312	144.0
77.51315307617188	152.0
77.6253433227539	164.0
77.78675842285156	184.0
78.07666015625	160.0
78.43054962158203	144.0
78.90718078613281	168.0
79.45797729492188	152.0
80.30292510986328	168.0
80.333251953125	188.0
80.69221496582031	176.0
80.92838287353516	156.0
81.28687286376953	188.0
81.64435577392578	200.0
81.81529235839844	144.0
82.5460205078125	184.0
82.65817260742188	148.0
83.51628875732422	168.0
83.53993225097656	192.0
83.5654067993164	160.0
83.76565551757812	172.0
83.89781951904297	168.0
85.9805908203125	140.0
86.28313446044922	208.0
86.42223358154297	176.0
86.4462890625	156.0
87.54363250732422	140.0
87.80057525634766	156.0
87.98342895507812	164.0
88.3721694946289	184.0
88.49398803710938	232.0
89.11652374267578	224.0
89.53223419189453	188.0
89.89229583740234	160.0
89.94368743896484	156.0
90.25686645507812	160.0
91.0964584350586	176.0
92.06214904785156	216.0
92.39469146728516	164.0
92.4386978149414	196.0
93.0059814453125	156.0
93.17689514160156	144.0
93.51918029785156	204.0
93.6539535522461	176.0
93.69055938720703	144.0
94.50529479980469	204.0
94.7851791381836	204.0
94.9896240234375	192.0
95.35659790039062	164.0
95.44213104248047	188.0
96.77086639404297	188.0
97.5025405883789	176.0
99.69024658203125	148.0
100.04826354980469	176.0
100.14185333251953	176.0
100.50267028808594	176.0
100.76422882080078	180.0
101.01611328125	188.0
101.04212188720703	172.0
101.31839752197266	156.0
101.43061828613281	180.0
101.67732238769531	208.0
102.04692840576172	320.0
103.03447723388672	208.0
103.05416870117188	804.0
103.56219482421875	144.0
103.6847152709961	148.0
104.01663970947266	172.0
104.06107330322266	180.0
104.08160400390625	264.0
104.63056182861328	144.0
106.01541900634766	160.0
106.15481567382812	176.0
106.54273986816406	168.0
106.67015075683594	220.0
106.72154235839844	192.0
108.02909088134766	156.0
108.09322357177734	216.0
109.27176666259766	192.0
110.01367950439453	168.0
110.7413558959961	140.0
111.69615173339844	164.0
112.7865219116211	160.0
113.4427261352539	216.0
114.39227294921875	204.0
114.72032928466797	164.0
115.054443359375	1212.0
115.76512145996094	148.0
115.8550796508789	180.0
116.05194091796875	164.0
116.06396484375	312.0
116.14875793457031	208.0
116.32471466064453	140.0
116.83401489257812	160.0
116.97174072265625	152.0
117.06936645507812	1296.0
117.2797622680664	144.0
118.07066345214844	124.0
118.08942413330078	144.0
118.12187194824219	160.0
118.18028259277344	188.0
118.23654174804688	216.0
118.45030212402344	128.0
119.06687927246094	168.0
119.46681213378906	192.0
119.63873291015625	184.0
119.84127807617188	148.0
120.81499481201172	156.0
121.98602294921875	156.0
122.32478332519531	160.0
124.58482360839844	192.0
124.64037322998047	152.0
124.66259002685547	208.0
125.06068420410156	248.0
125.87663269042969	168.0
126.04524993896484	152.0
126.8184814453125	188.0
126.95524597167969	156.0
127.05508422851562	860.0
127.38168334960938	144.0
127.40190124511719	188.0
127.75259399414062	148.0
128.01593017578125	284.0
128.05027770996094	2128.0
129.0594024658203	328.0
129.55406188964844	176.0
129.7058868408203	248.0
129.77163696289062	180.0
130.02114868164062	156.0
130.06578063964844	568.0
131.05337524414062	172.0
131.42745971679688	184.0
132.68768310546875	156.0
132.7289581298828	224.0
133.3212127685547	192.0
133.73748779296875	180.0
134.1129150390625	160.0
136.16748046875	268.0
137.95179748535156	164.0
138.12973022460938	140.0
139.74169921875	156.0
140.05348205566406	228.0
141.0670928955078	156.0
142.06668090820312	540.0
142.33697509765625	156.0
143.000244140625	184.0
143.0736541748047	8604.0
143.114501953125	180.0
143.33840942382812	208.0
143.61351013183594	132.0
143.68650817871094	176.0
143.7804412841797	188.0
143.85118103027344	164.0
143.9434356689453	152.0
143.96099853515625	172.0
143.99635314941406	280.0
144.02516174316406	144.0
144.081787109375	125092.0
144.13792419433594	216.0
144.17047119140625	256.0
144.23822021484375	160.0
144.33377075195312	136.0
144.36956787109375	128.0
144.4070281982422	120.0
144.4456787109375	192.0
144.47398376464844	96.0
144.865966796875	132.0
144.92218017578125	208.0
144.97291564941406	144.0
145.02894592285156	148.0
145.08416748046875	12876.0
145.16444396972656	108.0
145.34130859375	116.0
145.39913940429688	108.0
145.59356689453125	112.0
145.87142944335938	208.0
145.95956420898438	152.0
146.00279235839844	212.0
146.06085205078125	432.0
146.08865356445312	864.0
146.12460327148438	256.0
146.19017028808594	176.0
146.25933837890625	176.0
146.30532836914062	116.0
147.09423828125	176.0
148.03958129882812	152.0
150.9989013671875	188.0
153.04281616210938	132.0
153.5654754638672	144.0
154.06414794921875	940.0
154.9720458984375	156.0
155.06211853027344	272.0
155.96470642089844	168.0
156.08155822753906	652.0
156.9624481201172	160.0
156.99044799804688	168.0
157.0768280029297	252.0
157.85537719726562	144.0
158.0020294189453	180.0
158.08856201171875	192.0
159.38101196289062	148.0
160.07777404785156	292.0
161.4278106689453	140.0
171.0924530029297	5376.0
171.17222595214844	264.0
172.09512329101562	832.0
172.17359924316406	172.0
172.99905395507812	128.0
173.10748291015625	8336.0
173.14044189453125	184.0
174.11276245117188	212.0
175.12413024902344	240.0
175.97325134277344	156.0
189.0659637451172	160.0
199.00979614257812	148.0
225.88229370117188	152.0
1144.1856689453125	160.0
1150.2392578125	192.0
1150.35400390625	188.0
1194.76708984375	180.0
1271.90966796875	172.0
1284.17626953125	192.0
1328.0877685546875	184.0
1332.5958251953125	196.0
1334.1292724609375	176.0
1338.2325439453125	168.0
1376.7889404296875	236.0
1411.1114501953125	152.0
1425.6004638671875	156.0
1437.3626708984375	160.0
1440.6318359375	172.0
1443.3148193359375	236.0
1486.244873046875	164.0
1508.48681640625	164.0
1511.0311279296875	144.0
1524.67822265625	184.0
1533.9793701171875	160.0
1539.5855712890625	204.0
1544.802490234375	172.0
1552.94873046875	156.0
1576.4014892578125	168.0
1577.36572265625	172.0
1577.847900390625	264.0
1586.7703857421875	140.0
1596.696044921875	148.0
1600.3087158203125	168.0
1617.9449462890625	160.0
1621.4373779296875	148.0
1642.5833740234375	140.0
1643.3094482421875	168.0
1652.97314453125	156.0
1672.2879638671875	156.0
1692.615478515625	196.0
1702.488525390625	212.0
1702.5953369140625	140.0
1708.7437744140625	184.0
1708.91650390625	144.0
1727.635986328125	296.0
1735.4127197265625	148.0
1735.54541015625	152.0
1739.328369140625	144.0
1741.57861328125	148.0
1742.2347412109375	148.0
1745.1685791015625	180.0
1751.6431884765625	168.0
1764.9713134765625	184.0
1766.2591552734375	180.0
1774.574951171875	148.0
1774.84326171875	248.0
1776.88134765625	148.0
1778.9962158203125	196.0
1794.70361328125	144.0
1803.5208740234375	148.0
1809.8194580078125	200.0
1809.88720703125	168.0
1812.5977783203125	144.0
1816.2177734375	140.0
1822.82275390625	160.0
1823.9615478515625	144.0
1827.0654296875	140.0
1840.992919921875	164.0
1843.04296875	188.0
1852.5052490234375	188.0
1863.3575439453125	144.0
1863.5465087890625	204.0
1869.04931640625	156.0
1869.7894287109375	180.0
1882.2978515625	192.0
1887.1279296875	232.0
1888.64990234375	148.0
1893.4014892578125	164.0
1894.068359375	176.0
1900.405517578125	224.0
1902.366943359375	252.0
1910.370361328125	152.0
1914.1302490234375	144.0
1928.0267333984375	164.0
1931.2177734375	160.0
1933.24755859375	180.0
1937.0123291015625	224.0
1944.5880126953125	236.0
1966.662109375	168.0
1975.4188232421875	140.0
1976.6573486328125	216.0
1986.970703125	152.0
1987.1392822265625	148.0
1993.0792236328125	160.0
1996.048095703125	192.0
1996.5194091796875	152.0
1997.6578369140625	144.0
2000.80810546875	144.0
2001.6806640625	148.0
2002.2149658203125	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079039
PEPMASS=235.12326
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cc(C)nn1c2nc(C)cc(OC)n2
INCHI=InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3
INCHIAUX=RHAXSHUQNIEUEY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079039
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079039
SCANS=1114
45.0114631652832	148.0
45.276241302490234	152.0
45.742149353027344	148.0
45.81597900390625	160.0
45.9766731262207	140.0
46.00906753540039	184.0
46.253746032714844	156.0
46.3580322265625	152.0
46.46379470825195	156.0
46.50721740722656	184.0
46.63489532470703	220.0
47.17878341674805	144.0
47.19154357910156	144.0
47.66946792602539	156.0
47.89923095703125	152.0
48.04984664916992	156.0
48.658451080322266	212.0
48.958797454833984	144.0
49.381675720214844	172.0
49.451629638671875	172.0
49.69125747680664	164.0
49.73756790161133	176.0
49.75300598144531	176.0
49.81620407104492	192.0
50.7178955078125	160.0
50.76609802246094	180.0
50.86683654785156	164.0
50.907100677490234	212.0
51.044429779052734	180.0
51.567630767822266	152.0
51.722103118896484	168.0
51.90070724487305	104.0
52.12079620361328	164.0
52.178287506103516	156.0
52.2617073059082	156.0
52.41001510620117	172.0
52.6205940246582	148.0
52.66989517211914	144.0
53.49915313720703	148.0
53.55885696411133	152.0
53.76297378540039	156.0
54.106468200683594	200.0
54.13136291503906	148.0
54.27496337890625	224.0
54.33441925048828	112.0
54.52745819091797	156.0
54.60979080200195	208.0
54.730464935302734	176.0
54.83505630493164	180.0
55.28549575805664	176.0
55.34322738647461	140.0
55.402469635009766	144.0
55.50621795654297	216.0
55.96089172363281	192.0
56.10242462158203	144.0
56.31730270385742	192.0
56.34120178222656	204.0
56.40329360961914	160.0
56.51163864135742	208.0
56.640384674072266	144.0
56.70481491088867	176.0
56.77827835083008	156.0
57.05305862426758	140.0
57.156837463378906	160.0
57.33000946044922	188.0
57.583003997802734	184.0
57.644954681396484	176.0
58.01319122314453	216.0
58.0450325012207	160.0
58.384864807128906	112.0
58.44756317138672	152.0
58.644012451171875	260.0
58.75685501098633	164.0
59.21543502807617	208.0
59.23560333251953	144.0
59.60355758666992	176.0
59.62507247924805	160.0
59.660423278808594	152.0
59.76039123535156	144.0
59.88271713256836	120.0
60.1996955871582	176.0
60.286495208740234	192.0
60.470245361328125	140.0
60.81277084350586	180.0
60.84226608276367	184.0
60.860103607177734	188.0
60.931453704833984	196.0
61.33694839477539	180.0
61.60847473144531	192.0
61.962039947509766	228.0
61.997806549072266	160.0
62.15645980834961	220.0
62.53519821166992	168.0
62.57612991333008	140.0
62.77781677246094	152.0
62.788856506347656	148.0
63.08095932006836	144.0
63.30879592895508	176.0
63.38007736206055	160.0
63.42920684814453	156.0
63.684669494628906	176.0
63.82611083984375	180.0
63.905635833740234	148.0
63.99592208862305	220.0
64.45573425292969	184.0
64.93439483642578	156.0
64.99053955078125	164.0
65.08523559570312	208.0
65.12870025634766	132.0
65.45989990234375	164.0
65.52433013916016	156.0
65.67424774169922	220.0
65.7145767211914	208.0
65.73554992675781	144.0
65.85663604736328	180.0
65.94711303710938	172.0
66.04412841796875	160.0
66.06192016601562	192.0
66.3874740600586	164.0
66.64881896972656	168.0
66.9264144897461	168.0
66.94976043701172	196.0
66.99861907958984	144.0
67.02957916259766	188.0
67.47843933105469	172.0
67.85335540771484	144.0
68.09129333496094	180.0
68.49755096435547	204.0
68.78446960449219	156.0
68.79933166503906	172.0
69.3210678100586	176.0
69.3451919555664	192.0
69.67042541503906	156.0
69.94147491455078	176.0
70.52024841308594	168.0
70.65904235839844	204.0
70.9839859008789	152.0
71.0460433959961	164.0
71.24581146240234	196.0
71.47278594970703	152.0
71.71529388427734	172.0
71.80464935302734	160.0
72.36228942871094	148.0
72.49002075195312	172.0
72.71487426757812	208.0
72.98497772216797	216.0
73.04790496826172	172.0
73.59174346923828	180.0
73.79828643798828	204.0
73.94026947021484	204.0
74.15264129638672	152.0
74.86388397216797	156.0
75.12586975097656	156.0
75.26567077636719	244.0
75.9424057006836	156.0
76.07245635986328	172.0
76.17665100097656	164.0
76.30351257324219	148.0
77.0904541015625	180.0
77.38873291015625	268.0
77.42630004882812	224.0
77.46920013427734	148.0
77.52711486816406	176.0
77.5989761352539	160.0
77.61125183105469	144.0
77.69975280761719	148.0
77.90083312988281	168.0
77.94464874267578	196.0
78.00275421142578	164.0
78.04405212402344	116.0
78.42695617675781	144.0
78.52217102050781	196.0
78.55921173095703	188.0
79.20795440673828	228.0
79.2646484375	184.0
79.28137969970703	136.0
79.32313537597656	200.0
79.3355484008789	220.0
79.36213684082031	172.0
79.56616973876953	144.0
79.77935791015625	160.0
80.10501098632812	156.0
80.31356048583984	144.0
80.56168365478516	180.0
80.68498992919922	172.0
80.91399383544922	164.0
81.06803131103516	148.0
81.20529174804688	156.0
81.34064483642578	148.0
81.39270782470703	156.0
81.61012268066406	176.0
81.81522369384766	192.0
82.53095245361328	188.0
82.996826171875	168.0
83.63897705078125	160.0
83.80754852294922	132.0
84.11022186279297	148.0
84.33671569824219	192.0
84.41349792480469	156.0
84.52142333984375	144.0
84.55985260009766	144.0
84.63799285888672	176.0
84.78511810302734	264.0
84.91895294189453	180.0
85.00334167480469	176.0
85.03086853027344	180.0
85.11347961425781	164.0
85.30455017089844	156.0
85.3339614868164	156.0
85.71497344970703	140.0
85.92516326904297	192.0
86.27975463867188	172.0
86.56654357910156	212.0
86.58393859863281	152.0
87.07174682617188	208.0
87.36092376708984	144.0
87.89563751220703	208.0
88.26922607421875	216.0
88.29353332519531	168.0
88.35900115966797	176.0
88.45818328857422	180.0
88.88174438476562	144.0
89.1502685546875	208.0
89.17094421386719	168.0
89.33264923095703	152.0
89.38909149169922	168.0
89.41355895996094	148.0
89.63765716552734	172.0
89.68099975585938	148.0
90.030029296875	140.0
90.27191925048828	176.0
90.93498229980469	148.0
91.09752655029297	164.0
91.24651336669922	152.0
91.26362609863281	164.0
91.29214477539062	144.0
91.53191375732422	164.0
91.93795013427734	160.0
92.02766418457031	144.0
92.29133605957031	140.0
92.46733093261719	144.0
92.59751892089844	156.0
92.8389892578125	144.0
93.00885009765625	132.0
93.04425048828125	708.0
94.05533599853516	156.0
94.36982727050781	152.0
94.58649444580078	172.0
94.75497436523438	152.0
94.86737823486328	148.0
95.03704071044922	160.0
95.06036376953125	416.0
95.25160217285156	140.0
95.66871643066406	208.0
95.72030639648438	172.0
95.92292785644531	144.0
95.97386932373047	156.0
96.04452514648438	404.0
96.06463623046875	336.0
96.1063003540039	148.0
96.2685317993164	116.0
96.44800567626953	176.0
96.57980346679688	216.0
97.04159545898438	128.0
97.61170196533203	140.0
97.71286010742188	312.0
97.95105743408203	144.0
98.03578186035156	192.0
98.06743621826172	184.0
98.31581115722656	160.0
98.40068817138672	196.0
98.60612487792969	172.0
98.76627349853516	152.0
98.90082550048828	144.0
98.95999145507812	180.0
99.37444305419922	152.0
99.50344848632812	200.0
99.62755584716797	108.0
99.88699340820312	148.0
100.09596252441406	164.0
100.13579559326172	144.0
100.18559265136719	160.0
100.61469268798828	120.0
100.65628814697266	192.0
100.85806274414062	204.0
101.38043212890625	144.0
101.67924499511719	216.0
101.71537017822266	176.0
102.67308807373047	204.0
103.04247283935547	168.0
103.10713958740234	144.0
103.14351654052734	156.0
103.48945617675781	176.0
103.78324890136719	176.0
103.93131256103516	144.0
104.36801147460938	140.0
104.4697036743164	140.0
104.57144165039062	184.0
104.65097045898438	176.0
104.93985748291016	140.0
104.98908996582031	188.0
105.25028991699219	168.0
105.62448120117188	124.0
105.65087127685547	152.0
105.7122573852539	188.0
105.73886108398438	164.0
105.75318908691406	216.0
105.90470123291016	172.0
105.99484252929688	176.0
106.03480529785156	168.0
106.41120910644531	188.0
106.57347106933594	180.0
107.02185821533203	144.0
107.44229888916016	232.0
107.64456939697266	140.0
107.71273040771484	160.0
107.844970703125	188.0
107.85943603515625	176.0
108.03499603271484	476.0
108.05572509765625	808.0
108.5530014038086	144.0
108.61106872558594	176.0
108.71480560302734	156.0
109.04024505615234	1152.0
109.06044006347656	104.0
109.07740020751953	244.0
109.44650268554688	184.0
109.56982421875	172.0
109.5923080444336	168.0
109.62147521972656	196.0
109.95514678955078	144.0
110.04857635498047	252.0
110.07282257080078	176.0
110.2361068725586	116.0
110.77058410644531	148.0
110.99693298339844	184.0
111.05606842041016	324.0
111.10809326171875	256.0
111.70680236816406	140.0
111.73625946044922	140.0
111.93621063232422	144.0
112.08638000488281	224.0
112.23675537109375	308.0
112.44004821777344	188.0
112.71669006347656	220.0
112.77214813232422	228.0
112.81391143798828	164.0
113.0686264038086	348.0
113.24768829345703	156.0
113.58682250976562	256.0
113.90947723388672	144.0
113.97533416748047	144.0
114.12837219238281	164.0
114.2708740234375	204.0
114.31827545166016	116.0
114.6371078491211	160.0
115.44403839111328	224.0
115.851318359375	180.0
115.93854522705078	148.0
116.12506866455078	192.0
116.20873260498047	164.0
116.65328216552734	152.0
116.69842529296875	168.0
116.88555908203125	252.0
117.02761840820312	160.0
117.09652709960938	176.0
117.55226135253906	160.0
117.59024810791016	168.0
117.97472381591797	168.0
118.22562408447266	220.0
118.57266998291016	208.0
118.78141021728516	176.0
119.06095123291016	172.0
119.66911315917969	156.0
119.71919250488281	324.0
119.75186157226562	184.0
120.04464721679688	284.0
120.16385650634766	192.0
120.68367767333984	144.0
121.05186462402344	184.0
121.079345703125	152.0
121.4347915649414	144.0
121.58397674560547	152.0
121.83648681640625	176.0
122.04817962646484	1872.0
122.06934356689453	404.0
122.19044494628906	208.0
122.40393829345703	164.0
122.55152130126953	152.0
122.5999984741211	152.0
122.6661148071289	148.0
122.81385040283203	188.0
122.86679077148438	140.0
123.05585479736328	18772.0
123.09395599365234	300.0
123.2132339477539	136.0
123.3467788696289	124.0
123.737548828125	208.0
123.85713195800781	164.0
124.0633773803711	4144.0
124.12002563476562	100.0
124.54917907714844	144.0
124.617431640625	172.0
124.65689086914062	116.0
125.0670166015625	544.0
125.47714233398438	196.0
126.06139373779297	316.0
126.47344970703125	144.0
126.52045440673828	200.0
126.98877716064453	180.0
127.43549346923828	164.0
127.47594451904297	140.0
127.53699493408203	192.0
127.57707977294922	148.0
127.69625854492188	156.0
127.79298400878906	160.0
127.94152069091797	152.0
128.0859375	216.0
128.15773010253906	140.0
128.26815795898438	148.0
128.38990783691406	156.0
128.64938354492188	364.0
128.99952697753906	200.0
129.08544921875	176.0
129.3705291748047	172.0
129.6128692626953	172.0
130.04147338867188	184.0
130.3034210205078	180.0
130.3307647705078	148.0
130.51171875	172.0
130.97140502929688	148.0
131.06143188476562	168.0
131.25172424316406	156.0
131.27908325195312	164.0
131.56886291503906	164.0
131.83837890625	184.0
132.07615661621094	204.0
132.2111358642578	268.0
132.3851318359375	204.0
132.74490356445312	184.0
132.7861785888672	220.0
133.07420349121094	404.0
133.11663818359375	212.0
133.1809539794922	212.0
133.27223205566406	180.0
133.29811096191406	192.0
133.39694213867188	148.0
133.53489685058594	240.0
133.6430206298828	152.0
133.9768524169922	152.0
134.04373168945312	380.0
134.0689697265625	324.0
135.0109100341797	184.0
135.06532287597656	840.0
135.0922393798828	380.0
135.25027465820312	252.0
135.3834991455078	188.0
136.03623962402344	316.0
136.05311584472656	340.0
136.06967163085938	204.0
136.08363342285156	376.0
136.2057342529297	216.0
136.8929443359375	188.0
136.9441680908203	152.0
137.05885314941406	3172.0
137.12049865722656	164.0
137.1603240966797	136.0
137.39639282226562	192.0
137.57374572753906	164.0
137.5907745361328	152.0
137.6367950439453	160.0
137.92881774902344	168.0
138.0663604736328	5892.0
138.50209045410156	204.0
138.58876037597656	152.0
138.70828247070312	152.0
138.83255004882812	244.0
139.07302856445312	1152.0
139.31915283203125	176.0
139.57223510742188	180.0
139.68748474121094	140.0
139.98402404785156	216.0
140.0555419921875	252.0
140.080322265625	172.0
140.65359497070312	140.0
140.8285675048828	112.0
140.8826446533203	164.0
140.90391540527344	196.0
141.06484985351562	504.0
141.3697052001953	168.0
141.62539672851562	156.0
141.67752075195312	180.0
141.85362243652344	140.0
142.36227416992188	148.0
142.771728515625	192.0
142.85736083984375	152.0
143.05606079101562	156.0
143.07391357421875	148.0
143.36688232421875	264.0
143.45030212402344	160.0
143.86459350585938	156.0
144.0850830078125	152.0
144.16871643066406	148.0
144.22607421875	224.0
144.60061645507812	180.0
144.69973754882812	192.0
144.74282836914062	148.0
144.7667694091797	172.0
144.97998046875	164.0
145.05990600585938	160.0
145.34207153320312	212.0
146.0684814453125	296.0
146.13978576660156	192.0
146.19271850585938	160.0
146.28944396972656	168.0
146.36524963378906	136.0
147.03213500976562	164.0
147.05410766601562	212.0
147.07797241210938	356.0
147.13516235351562	140.0
147.15689086914062	144.0
147.40567016601562	156.0
147.65858459472656	116.0
147.74658203125	192.0
147.84336853027344	144.0
148.05999755859375	524.0
148.08627319335938	752.0
148.10484313964844	220.0
148.3350372314453	212.0
148.35928344726562	208.0
148.6523895263672	132.0
148.69644165039062	176.0
148.72555541992188	144.0
149.07205200195312	2408.0
149.17250061035156	156.0
149.65420532226562	156.0
149.76478576660156	108.0
149.86366271972656	148.0
149.99526977539062	144.0
150.06683349609375	3460.0
150.15316772460938	152.0
150.56724548339844	168.0
150.96209716796875	164.0
151.05239868164062	152.0
151.0738525390625	584.0
151.55325317382812	196.0
151.57406616210938	152.0
151.6377716064453	140.0
151.79957580566406	144.0
151.87338256835938	212.0
152.0421142578125	152.0
152.0821075439453	6692.0
152.43289184570312	260.0
152.73374938964844	236.0
153.08839416503906	2924.0
153.25082397460938	140.0
154.03948974609375	328.0
154.08447265625	1088.0
154.25177001953125	140.0
154.2764892578125	156.0
154.47926330566406	168.0
154.5856475830078	164.0
154.63267517089844	208.0
154.8158721923828	156.0
155.0437774658203	204.0
155.0768280029297	108.0
155.1007843017578	140.0
155.63912963867188	152.0
155.71859741210938	152.0
155.98133850097656	140.0
156.05357360839844	5116.0
156.09463500976562	176.0
156.47128295898438	184.0
156.78091430664062	164.0
156.94293212890625	200.0
157.05909729003906	272.0
157.29220581054688	152.0
157.63685607910156	160.0
157.70433044433594	232.0
158.1870880126953	152.0
158.7733917236328	268.0
158.81100463867188	180.0
158.93716430664062	168.0
159.0654296875	196.0
159.62217712402344	188.0
159.76214599609375	216.0
159.8385009765625	168.0
160.05235290527344	544.0
160.07481384277344	364.0
160.12548828125	184.0
160.52407836914062	120.0
161.0006103515625	160.0
161.07278442382812	380.0
161.4807891845703	172.0
161.6069793701172	204.0
161.94142150878906	156.0
162.06570434570312	500.0
162.21253967285156	172.0
162.5194091796875	172.0
162.5994110107422	220.0
162.7986297607422	200.0
162.87989807128906	192.0
163.08688354492188	6780.0
163.4420623779297	128.0
163.5155487060547	156.0
163.71681213378906	136.0
163.83609008789062	144.0
163.94488525390625	116.0
164.0472412109375	572.0
164.08372497558594	5612.0
164.4293670654297	164.0
164.47132873535156	164.0
164.7343292236328	176.0
164.91064453125	220.0
165.04714965820312	120.0
165.0897674560547	884.0
165.27122497558594	236.0
165.32623291015625	120.0
165.3736572265625	132.0
165.404296875	144.0
165.62451171875	172.0
165.80593872070312	216.0
166.0613250732422	812.0
166.0989990234375	696.0
167.06199645996094	148.0
167.1034698486328	164.0
167.50733947753906	148.0
167.55113220214844	196.0
167.83206176757812	184.0
168.06394958496094	168.0
168.42303466796875	160.0
168.44627380371094	164.0
168.5160369873047	164.0
168.66592407226562	232.0
168.890869140625	188.0
169.17550659179688	208.0
169.32310485839844	160.0
169.3567657470703	204.0
169.64439392089844	212.0
169.68067932128906	140.0
170.08016967773438	180.0
170.4617919921875	136.0
170.5828857421875	160.0
170.85946655273438	108.0
171.04298400878906	244.0
171.06980895996094	196.0
171.1624755859375	200.0
171.3335723876953	148.0
171.68284606933594	164.0
171.98025512695312	144.0
172.77464294433594	200.0
172.9866180419922	140.0
173.04379272460938	152.0
173.08932495117188	224.0
173.41502380371094	120.0
173.61805725097656	148.0
173.81480407714844	164.0
174.0666046142578	1488.0
174.45516967773438	228.0
174.6754150390625	124.0
174.865966796875	156.0
175.08633422851562	228.0
175.54010009765625	152.0
175.94142150878906	164.0
176.0486602783203	144.0
176.08248901367188	3092.0
176.23194885253906	140.0
176.38522338867188	292.0
176.85604858398438	372.0
176.99635314941406	148.0
177.07728576660156	16032.0
177.15904235839844	196.0
177.45738220214844	160.0
177.66424560546875	176.0
177.88607788085938	156.0
178.02857971191406	180.0
178.09701538085938	5404.0
178.16067504882812	196.0
178.4875946044922	196.0
178.5833282470703	164.0
178.7402801513672	176.0
178.82810974121094	184.0
179.0930938720703	9716.0
179.17465209960938	168.0
179.2298583984375	204.0
180.095458984375	760.0
180.42591857910156	160.0
180.689697265625	156.0
180.87533569335938	176.0
180.9636688232422	172.0
181.08837890625	224.0
181.69801330566406	184.0
181.73826599121094	172.0
182.20274353027344	168.0
182.22691345214844	180.0
182.28334045410156	140.0
182.44729614257812	188.0
182.75120544433594	148.0
182.9019012451172	168.0
183.0149688720703	160.0
183.17926025390625	156.0
183.88839721679688	164.0
184.14218139648438	160.0
184.1772918701172	164.0
184.3024444580078	220.0
184.93472290039062	152.0
185.37579345703125	212.0
185.448974609375	180.0
185.52487182617188	220.0
185.5774688720703	240.0
185.60704040527344	156.0
185.82861328125	324.0
185.8638916015625	148.0
186.0561981201172	164.0
186.65432739257812	160.0
187.13865661621094	184.0
187.25302124023438	212.0
188.0690460205078	2072.0
189.056640625	320.0
189.07835388183594	868.0
189.90963745117188	152.0
190.0704803466797	372.0
190.19224548339844	184.0
190.3120880126953	208.0
190.39816284179688	140.0
190.44760131835938	148.0
190.6426544189453	172.0
190.82957458496094	140.0
191.09359741210938	5628.0
191.35260009765625	156.0
191.38470458984375	144.0
191.50289916992188	208.0
191.9888153076172	160.0
192.10107421875	25424.0
192.18524169921875	196.0
192.23910522460938	176.0
192.263916015625	184.0
192.38890075683594	176.0
192.4283905029297	144.0
192.9757080078125	208.0
193.0022430419922	164.0
193.10415649414062	1828.0
193.2200469970703	108.0
193.4629364013672	116.0
193.58938598632812	196.0
193.68026733398438	156.0
194.1049346923828	128.0
194.24813842773438	136.0
194.44827270507812	172.0
194.5787353515625	172.0
194.8324737548828	164.0
195.11260986328125	148.0
195.7158966064453	192.0
195.86756896972656	268.0
196.03265380859375	156.0
196.16444396972656	148.0
196.69442749023438	160.0
196.89825439453125	152.0
197.34535217285156	176.0
197.68380737304688	144.0
198.75140380859375	152.0
198.81594848632812	176.0
199.5125274658203	172.0
200.0639190673828	156.0
201.16897583007812	212.0
201.3599395751953	164.0
201.5078582763672	168.0
201.5897979736328	188.0
201.6943817138672	168.0
202.0607452392578	388.0
202.1836700439453	140.0
202.3277130126953	188.0
202.59423828125	180.0
202.75	148.0
202.92474365234375	160.0
203.0921173095703	2876.0
203.26901245117188	208.0
203.2954559326172	280.0
203.54812622070312	196.0
203.88809204101562	216.0
203.95346069335938	208.0
204.0775909423828	14232.0
204.16326904296875	156.0
204.53697204589844	192.0
204.5929718017578	196.0
205.07293701171875	12584.0
205.277587890625	196.0
205.7652130126953	180.0
205.87942504882812	144.0
206.07557678222656	1016.0
206.79046630859375	120.0
206.85438537597656	148.0
206.87442016601562	196.0
207.0712890625	328.0
207.1199493408203	352.0
207.25343322753906	140.0
207.50755310058594	148.0
208.0698699951172	168.0
208.1703643798828	172.0
208.48348999023438	152.0
208.61570739746094	160.0
208.84286499023438	164.0
209.4242706298828	152.0
209.5268096923828	112.0
210.1377716064453	148.0
210.29788208007812	144.0
210.50575256347656	164.0
210.91888427734375	192.0
211.1068115234375	164.0
211.46554565429688	244.0
211.75796508789062	176.0
211.8825225830078	204.0
212.3695068359375	152.0
213.25880432128906	152.0
213.6592559814453	172.0
214.55914306640625	140.0
214.623291015625	180.0
214.99082946777344	156.0
215.42051696777344	120.0
215.78533935546875	188.0
216.1047821044922	216.0
216.22410583496094	156.0
216.51979064941406	192.0
217.5049285888672	160.0
217.52841186523438	168.0
217.64463806152344	176.0
218.39523315429688	144.0
218.5895538330078	136.0
218.68650817871094	168.0
218.86451721191406	120.0
218.93382263183594	152.0
218.991455078125	252.0
219.02806091308594	204.0
219.0862579345703	2824.0
219.39346313476562	208.0
219.55764770507812	140.0
219.6023712158203	132.0
219.6660614013672	100.0
219.73556518554688	164.0
219.78277587890625	156.0
219.83587646484375	184.0
219.99168395996094	164.0
220.05772399902344	128.0
220.0965118408203	121508.0
220.1924591064453	164.0
220.3331298828125	196.0
220.39950561523438	96.0
220.4866485595703	288.0
220.52279663085938	156.0
220.57586669921875	316.0
220.6644744873047	100.0
220.7582550048828	168.0
220.79962158203125	112.0
220.88278198242188	164.0
220.98114013671875	128.0
221.09902954101562	10112.0
221.2482147216797	152.0
221.51841735839844	148.0
221.59912109375	100.0
221.787841796875	204.0
222.0750274658203	412.0
222.09934997558594	844.0
222.4269256591797	156.0
222.45547485351562	116.0
222.60244750976562	124.0
222.6868438720703	116.0
222.77828979492188	112.0
222.84104919433594	132.0
222.87548828125	104.0
222.9141845703125	128.0
223.06784057617188	140.0
223.5535125732422	116.0
223.76451110839844	152.0
223.875	192.0
224.50523376464844	208.0
225.05429077148438	148.0
225.4615936279297	204.0
225.9107666015625	172.0
226.24420166015625	200.0
226.74742126464844	152.0
227.61737060546875	200.0
227.9898681640625	148.0
228.4280548095703	168.0
228.49200439453125	164.0
228.5635528564453	108.0
229.48287963867188	188.0
229.59445190429688	168.0
230.06515502929688	212.0
230.4971160888672	156.0
231.677001953125	224.0
231.91336059570312	252.0
232.51083374023438	176.0
232.62921142578125	192.0
232.6504669189453	172.0
232.69903564453125	160.0
232.9131622314453	180.0
233.1015167236328	96.0
233.35716247558594	180.0
233.3792724609375	144.0
233.44869995117188	96.0
233.60162353515625	148.0
233.9532928466797	188.0
233.9949951171875	216.0
234.02178955078125	252.0
234.05287170410156	148.0
234.13815307617188	424.0
234.1736297607422	164.0
234.2179718017578	184.0
234.32522583007812	168.0
234.37815856933594	252.0
234.43504333496094	116.0
234.47132873535156	140.0
234.5305633544922	436.0
234.5590057373047	228.0
234.58705139160156	164.0
234.61756896972656	256.0
234.63906860351562	264.0
234.68206787109375	108.0
234.72450256347656	304.0
234.7510986328125	180.0
234.78855895996094	124.0
234.8348846435547	280.0
234.88827514648438	144.0
234.93878173828125	400.0
234.9990692138672	464.0
235.03155517578125	188.0
235.12179565429688	230056.0
235.2364959716797	208.0
235.3294219970703	412.0
235.40142822265625	588.0
235.46929931640625	176.0
235.50875854492188	372.0
235.5885009765625	1248.0
235.6239776611328	10612.0
235.66357421875	808.0
235.76080322265625	268.0
235.8008575439453	156.0
235.8351287841797	108.0
235.8678741455078	280.0
235.91990661621094	416.0
235.9496612548828	192.0
235.97760009765625	308.0
236.0101318359375	176.0
236.04147338867188	208.0
236.12322998046875	69920.0
236.19961547851562	108.0
236.2321014404297	108.0
236.2667236328125	228.0
236.4065704345703	172.0
236.4891815185547	140.0
236.62791442871094	160.0
236.6630401611328	428.0
236.8885040283203	156.0
236.92527770996094	324.0
237.03378295898438	248.0
237.05978393554688	124.0
237.1246337890625	5688.0
237.23118591308594	136.0
237.2789306640625	140.0
237.31642150878906	120.0
237.35951232910156	284.0
237.40443420410156	204.0
237.55111694335938	332.0
237.56214904785156	256.0
237.60214233398438	328.0
237.6377410888672	180.0
237.69796752929688	236.0
237.7297821044922	256.0
237.771728515625	172.0
237.80966186523438	324.0
237.83224487304688	376.0
237.8956756591797	284.0
237.92129516601562	144.0
237.94189453125	308.0
237.9769744873047	392.0
238.01559448242188	100.0
238.10447692871094	152.0
238.1271209716797	420.0
238.39224243164062	112.0
238.56719970703125	164.0
238.65196228027344	136.0
238.8373260498047	140.0
238.86355590820312	140.0
239.91470336914062	96.0
240.09056091308594	112.0
240.5654754638672	96.0
240.63327026367188	100.0
241.70462036132812	96.0
244.8134002685547	100.0
245.04690551757812	140.0
245.32275390625	152.0
246.04234313964844	156.0
246.3006134033203	172.0
249.93032836914062	140.0
278.9737243652344	148.0
323.0824890136719	152.0
347.6368103027344	144.0
351.5180358886719	144.0
369.0876770019531	152.0
388.1947021484375	160.0
411.7335205078125	104.0
419.3758239746094	160.0
660.4374389648438	140.0
700.06640625	152.0
712.846923828125	156.0
1221.1485595703125	140.0
1260.873779296875	200.0
1286.0516357421875	160.0
1377.444580078125	232.0
1401.653564453125	224.0
1413.2943115234375	164.0
1430.217041015625	140.0
1445.5753173828125	144.0
1458.916748046875	148.0
1459.4033203125	172.0
1468.0382080078125	248.0
1479.0933837890625	168.0
1488.37744140625	168.0
1491.688720703125	172.0
1498.63037109375	140.0
1504.0826416015625	140.0
1506.5150146484375	200.0
1518.6988525390625	140.0
1523.22412109375	176.0
1533.0194091796875	228.0
1549.0909423828125	176.0
1550.9166259765625	156.0
1649.8741455078125	160.0
1651.022216796875	188.0
1692.9415283203125	140.0
1699.01513671875	140.0
1706.8670654296875	176.0
1718.637451171875	200.0
1720.923828125	232.0
1721.2706298828125	196.0
1741.078857421875	180.0
1742.7650146484375	232.0
1743.7955322265625	204.0
1745.4415283203125	168.0
1747.0550537109375	148.0
1754.70849609375	164.0
1756.142822265625	188.0
1787.5592041015625	208.0
1794.1456298828125	156.0
1797.4349365234375	168.0
1797.9412841796875	224.0
1808.4296875	140.0
1811.8760986328125	168.0
1812.138671875	144.0
1812.7657470703125	248.0
1829.514892578125	176.0
1832.6064453125	156.0
1836.9798583984375	188.0
1841.119384765625	148.0
1841.81982421875	160.0
1847.4188232421875	148.0
1849.48095703125	192.0
1856.66064453125	168.0
1863.0723876953125	176.0
1868.3594970703125	156.0
1870.02880859375	184.0
1881.432861328125	160.0
1890.0498046875	184.0
1893.72900390625	172.0
1896.68359375	168.0
1906.38671875	140.0
1907.951171875	168.0
1910.6993408203125	180.0
1915.2781982421875	156.0
1916.794189453125	176.0
1924.8365478515625	192.0
1940.5687255859375	224.0
1949.91748046875	180.0
1951.666748046875	176.0
1952.4141845703125	156.0
1959.9317626953125	156.0
1970.1141357421875	184.0
1972.5609130859375	164.0
1972.8526611328125	220.0
1978.302001953125	188.0
1982.6873779296875	172.0
1994.5350341796875	164.0
2002.5963134765625	172.0
2003.2198486328125	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079040
PEPMASS=182.120132
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Homoveratrylamine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccc(CCN)cc1OC
INCHI=InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
INCHIAUX=ANOUKFYBOAKOIR-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079040
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079040
SCANS=972
46.55051803588867	188.0
61.89625930786133	176.0
67.06380462646484	172.0
76.8818130493164	180.0
85.40568542480469	168.0
87.64578247070312	148.0
89.29879760742188	140.0
90.04325103759766	180.0
91.05269622802734	148.0
91.90169525146484	216.0
96.90397644042969	144.0
97.9671401977539	340.0
98.83551788330078	140.0
102.04483795166016	148.0
103.05403900146484	264.0
104.05828094482422	200.0
105.03804779052734	220.0
105.06920623779297	752.0
106.07205200195312	196.0
106.99921417236328	144.0
107.04853820800781	344.0
110.96548461914062	148.0
111.57012176513672	184.0
114.95484924316406	148.0
118.04022216796875	472.0
119.04821014404297	308.0
120.0569839477539	232.0
121.02938842773438	144.0
121.06465911865234	492.0
122.0693130493164	232.0
123.04556274414062	228.0
126.97308349609375	252.0
130.77560424804688	156.0
131.05435180664062	288.0
133.02711486816406	156.0
133.0647735595703	488.0
134.07188415527344	1020.0
135.0447540283203	888.0
135.0800323486328	388.0
136.0489501953125	292.0
136.0800018310547	148.0
137.0634307861328	192.0
137.088623046875	156.0
140.89918518066406	224.0
141.95938110351562	120.0
143.95851135253906	180.0
145.9305419921875	148.0
147.26072692871094	152.0
149.05821228027344	156.0
150.0674285888672	2496.0
151.0379180908203	168.0
151.06915283203125	320.0
151.94674682617188	176.0
153.49383544921875	164.0
156.27294921875	176.0
160.3875274658203	168.0
162.9713592529297	144.0
164.65005493164062	180.0
164.9697723388672	156.0
165.09107971191406	14824.0
166.09474182128906	1392.0
167.20608520507812	144.0
167.3746337890625	124.0
182.08456420898438	180.0
183.0984649658203	304.0
183.1173095703125	164.0
1167.39990234375	196.0
1410.3179931640625	204.0
1520.8558349609375	152.0
1557.62548828125	208.0
1601.1595458984375	184.0
1764.88623046875	180.0
1772.075927734375	144.0
1788.9227294921875	144.0
1820.1201171875	184.0
1953.93603515625	156.0
2003.16650390625	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079041
PEPMASS=403.252838
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O
INCHI=InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1
INCHIAUX=OHXPGWPVLFPUSM-KLRNGDHRSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079041
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079041
SCANS=1270
45.03947830200195	184.0
56.673309326171875	192.0
57.12069320678711	216.0
57.204959869384766	176.0
58.33498001098633	188.0
64.7740707397461	168.0
69.26561737060547	196.0
70.8197021484375	144.0
74.3583984375	164.0
78.37932586669922	156.0
80.04440307617188	148.0
80.445556640625	232.0
85.64859008789062	168.0
89.33259582519531	224.0
91.06023406982422	148.0
93.07112121582031	480.0
94.07418060302734	176.0
95.08068084716797	144.0
95.10008239746094	220.0
95.20492553710938	172.0
99.04226684570312	188.0
101.03997802734375	184.0
101.42646026611328	156.0
102.26805877685547	208.0
104.44319152832031	204.0
105.07080841064453	364.0
107.08252716064453	156.0
107.8945083618164	248.0
109.06690979003906	180.0
109.09834289550781	152.0
110.06780242919922	176.0
111.07865142822266	144.0
115.0529556274414	168.0
115.19389343261719	200.0
117.07383728027344	136.0
119.08961486816406	196.0
119.29049682617188	140.0
121.06214904785156	340.0
123.08080291748047	140.0
123.12055206298828	208.0
129.07179260253906	172.0
130.075439453125	144.0
130.46615600585938	156.0
131.08670043945312	612.0
131.11257934570312	168.0
133.0689697265625	264.0
133.10084533691406	256.0
135.07904052734375	276.0
135.12185668945312	168.0
137.091552734375	152.0
139.4217071533203	184.0
139.51101684570312	160.0
141.33648681640625	140.0
143.08636474609375	324.0
144.0945587158203	176.0
145.06138610839844	152.0
145.10302734375	832.0
145.9905548095703	140.0
146.10983276367188	312.0
147.0433349609375	160.0
147.1171875	756.0
148.0866241455078	152.0
148.1217041015625	152.0
149.0958709716797	308.0
149.12350463867188	336.0
150.10244750976562	152.0
150.253662109375	156.0
154.08856201171875	160.0
155.04615783691406	156.0
155.0865478515625	300.0
155.3263397216797	148.0
157.1009979248047	464.0
157.18728637695312	184.0
157.43692016601562	188.0
157.7592315673828	188.0
158.00680541992188	160.0
158.10690307617188	440.0
159.08058166503906	152.0
159.11720275878906	1088.0
161.09664916992188	408.0
161.13185119628906	512.0
163.10934448242188	248.0
165.09205627441406	180.0
167.11151123046875	208.0
167.1493682861328	176.0
167.8035888671875	180.0
169.06927490234375	152.0
169.10379028320312	612.0
169.7635498046875	172.0
170.11122131347656	172.0
171.116455078125	600.0
171.17718505859375	184.0
173.09646606445312	600.0
173.1342315673828	300.0
174.18748474121094	204.0
175.11392211914062	360.0
177.86846923828125	168.0
178.3093719482422	180.0
179.0889129638672	192.0
180.11582946777344	172.0
181.10479736328125	352.0
181.67108154296875	144.0
182.1070098876953	192.0
183.0740966796875	140.0
183.11843872070312	464.0
183.2249298095703	140.0
184.11505126953125	176.0
184.49603271484375	184.0
185.1065216064453	176.0
185.13331604003906	588.0
186.1013641357422	172.0
186.13650512695312	176.0
187.1171112060547	152.0
187.1465606689453	156.0
188.07904052734375	176.0
189.12307739257812	156.0
191.08575439453125	152.0
191.1044921875	176.0
193.12161254882812	304.0
194.32606506347656	164.0
194.5314178466797	152.0
195.11819458007812	784.0
195.4708251953125	160.0
196.12086486816406	468.0
197.09339904785156	164.0
197.134033203125	1184.0
198.47360229492188	176.0
199.10858154296875	332.0
199.1461181640625	472.0
200.1285400390625	168.0
200.14825439453125	144.0
201.04466247558594	224.0
201.12461853027344	132.0
205.09683227539062	172.0
205.12782287597656	232.0
206.10781860351562	216.0
207.1142578125	276.0
208.12290954589844	372.0
209.13099670410156	620.0
210.09864807128906	160.0
210.1393585205078	304.0
210.49118041992188	168.0
211.11276245117188	540.0
211.1482696533203	1116.0
212.1153106689453	172.0
212.15052795410156	400.0
213.128662109375	504.0
214.13357543945312	160.0
214.1717987060547	132.0
215.14688110351562	320.0
215.17930603027344	136.0
216.1416473388672	152.0
219.124267578125	164.0
220.12611389160156	120.0
221.13108825683594	448.0
222.13607788085938	428.0
223.1108856201172	436.0
223.14588928222656	248.0
223.27813720703125	144.0
224.11663818359375	200.0
224.14645385742188	192.0
225.09893798828125	160.0
225.12606811523438	524.0
225.1664276123047	156.0
226.1333770751953	172.0
226.16323852539062	140.0
227.14468383789062	1000.0
228.14520263671875	292.0
229.12240600585938	156.0
229.160400390625	276.0
231.11070251464844	144.0
231.1381072998047	144.0
231.1816864013672	200.0
232.12879943847656	164.0
232.15757751464844	192.0
232.2194366455078	148.0
233.13470458984375	240.0
234.14443969726562	196.0
234.76495361328125	144.0
235.14913940429688	512.0
236.16419982910156	172.0
237.1422119140625	132.0
237.16578674316406	292.0
239.14666748046875	604.0
239.17678833007812	192.0
241.12234497070312	1000.0
241.15423583984375	140.0
242.12701416015625	356.0
243.13873291015625	548.0
244.14035034179688	400.0
245.15350341796875	296.0
245.4473114013672	148.0
247.1459197998047	408.0
248.1543426513672	368.0
249.16653442382812	664.0
250.1701202392578	328.0
250.9091339111328	204.0
251.1416473388672	748.0
251.1780548095703	260.0
252.15045166015625	140.0
254.13511657714844	172.0
255.14053344726562	324.0
256.1352844238281	164.0
257.15179443359375	700.0
258.11663818359375	160.0
258.15460205078125	276.0
259.13702392578125	292.0
260.1438293457031	168.0
261.13433837890625	180.0
261.162841796875	556.0
262.17645263671875	320.0
263.136474609375	124.0
263.17962646484375	824.0
263.4357604980469	144.0
263.75244140625	212.0
264.1483459472656	116.0
264.1828918457031	476.0
265.15838623046875	160.0
265.2316589355469	184.0
266.54278564453125	172.0
267.1393127441406	152.0
267.1727294921875	136.0
269.1507873535156	216.0
271.1496276855469	196.0
272.1675720214844	156.0
273.15985107421875	236.0
274.1731262207031	140.0
275.140625	168.0
275.1722412109375	116.0
276.1451416015625	152.0
277.16064453125	264.0
279.17742919921875	640.0
279.2064514160156	164.0
281.1877746582031	404.0
282.147216796875	176.0
283.166259765625	124.0
284.1653747558594	168.0
285.1697692871094	164.0
286.2001647949219	184.0
287.1437072753906	148.0
287.2000427246094	116.0
288.1987609863281	168.0
289.16375732421875	132.0
289.18878173828125	232.0
290.1997375488281	272.0
291.17437744140625	680.0
292.1807556152344	268.0
293.18780517578125	240.0
293.22943115234375	112.0
294.1622009277344	144.0
294.1981201171875	172.0
295.1060485839844	336.0
295.1640319824219	288.0
295.19921875	156.0
296.1103515625	304.0
296.1764831542969	120.0
297.18267822265625	264.0
298.1936950683594	120.0
299.1930236816406	144.0
302.1644592285156	248.0
302.2232971191406	172.0
303.2088623046875	988.0
304.21148681640625	316.0
305.1553039550781	148.0
305.1832275390625	428.0
306.203857421875	264.0
307.16705322265625	280.0
307.2067565917969	408.0
308.1799011230469	128.0
308.22119140625	168.0
308.7806091308594	148.0
309.1833801269531	652.0
310.1903381347656	296.0
311.1739196777344	192.0
311.20550537109375	152.0
312.1629333496094	148.0
313.1937561035156	252.0
313.22625732421875	184.0
321.2220764160156	2364.0
322.07745361328125	184.0
322.22021484375	900.0
323.2308654785156	236.0
324.1956481933594	264.0
324.2444152832031	136.0
325.21923828125	344.0
327.2033996582031	184.0
331.2076721191406	864.0
332.20904541015625	340.0
335.2215270996094	140.0
335.64801025390625	156.0
337.2246398925781	132.0
338.2236022949219	152.0
339.23260498046875	5904.0
339.2972412109375	180.0
339.77734375	140.0
340.23565673828125	1920.0
341.2428894042969	276.0
343.2386169433594	120.0
343.90240478515625	172.0
349.15972900390625	196.0
349.2168884277344	3892.0
350.2188415527344	1932.0
351.2289123535156	184.0
352.2449645996094	120.0
352.5522155761719	172.0
357.24530029296875	208.0
363.2452392578125	160.0
365.99676513671875	144.0
366.8332824707031	168.0
367.0083923339844	168.0
367.2268981933594	10644.0
367.38787841796875	176.0
368.23040771484375	2616.0
368.3345642089844	144.0
368.5013427734375	128.0
369.233642578125	508.0
369.4775390625	156.0
384.2166442871094	296.0
384.53662109375	168.0
384.61077880859375	176.0
384.6488952636719	156.0
384.8371887207031	156.0
385.09881591796875	196.0
385.1363525390625	184.0
385.23748779296875	12208.0
385.66644287109375	124.0
386.2419738769531	2548.0
387.2442626953125	400.0
387.5594482421875	156.0
388.23828125	176.0
388.646240234375	112.0
388.70831298828125	156.0
388.7374267578125	124.0
390.65704345703125	188.0
398.6636047363281	140.0
401.21331787109375	128.0
402.1946716308594	168.0
402.25103759765625	132.0
403.24542236328125	456.0
404.19732666015625	128.0
404.25445556640625	316.0
404.3539733886719	128.0
405.9233703613281	116.0
406.15350341796875	152.0
666.1215209960938	160.0
1379.2176513671875	140.0
1431.01416015625	168.0
1568.577880859375	156.0
1788.4669189453125	148.0
1860.7781982421875	140.0
1998.84716796875	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079042
PEPMASS=345.246735
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C)[C@@]3(C)CC[C@@H]2[C@@]4(C)CCC(=O)C=C14
INCHI=InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1
INCHIAUX=FRQMUZJSZHZSGN-HBNHAYAOSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079042
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079042
SCANS=1807
48.01637649536133	168.0
50.70087432861328	188.0
51.72209167480469	196.0
52.028865814208984	156.0
52.44602966308594	236.0
52.60181427001953	176.0
53.156131744384766	216.0
54.955963134765625	204.0
55.099178314208984	172.0
59.06389236450195	196.0
61.91346740722656	148.0
67.3215560913086	156.0
74.18518829345703	172.0
76.81549072265625	172.0
77.42898559570312	232.0
79.11604309082031	192.0
79.74734497070312	180.0
81.09668731689453	200.0
87.26605987548828	196.0
90.04700469970703	164.0
90.39674377441406	164.0
91.24649047851562	180.0
92.00091552734375	184.0
93.07307434082031	140.0
94.15724182128906	172.0
94.20359802246094	192.0
95.08442687988281	136.0
95.59375762939453	200.0
97.06497955322266	1384.0
98.06836700439453	352.0
98.16388702392578	152.0
98.7939453125	176.0
99.07703399658203	184.0
103.05659484863281	320.0
105.04617309570312	172.0
105.06780242919922	252.0
105.32786560058594	228.0
106.07380676269531	180.0
107.04823303222656	180.0
107.0856704711914	156.0
108.05380249023438	160.0
109.06621551513672	212.0
109.10164642333984	180.0
109.81742095947266	160.0
111.08081817626953	180.0
111.362060546875	160.0
112.14685821533203	196.0
119.08626556396484	268.0
121.06550598144531	368.0
121.10041809082031	420.0
123.0810775756836	9948.0
123.20519256591797	108.0
123.8243408203125	184.0
124.08438110351562	1336.0
124.18514251708984	140.0
124.77136993408203	232.0
125.09224700927734	184.0
125.59307098388672	192.0
129.07180786132812	352.0
131.0843963623047	196.0
132.7127685546875	140.0
133.09912109375	616.0
133.9791259765625	156.0
135.0823974609375	260.0
135.11495971679688	328.0
136.11392211914062	228.0
137.0971221923828	984.0
137.1236114501953	152.0
138.0970001220703	140.0
139.18450927734375	164.0
143.08685302734375	428.0
144.10025024414062	156.0
145.10203552246094	316.0
146.09884643554688	140.0
147.07960510253906	144.0
147.11865234375	540.0
147.25344848632812	152.0
149.0974884033203	132.0
149.16517639160156	140.0
151.11566162109375	156.0
152.6713104248047	152.0
152.74755859375	204.0
153.0921173095703	164.0
154.046875	204.0
154.2640838623047	176.0
154.6598663330078	188.0
155.08470153808594	132.0
155.86264038085938	156.0
156.10079956054688	104.0
156.25050354003906	152.0
156.29779052734375	168.0
157.10240173339844	668.0
158.10528564453125	144.0
159.11444091796875	548.0
159.95172119140625	196.0
160.12510681152344	288.0
161.09901428222656	164.0
161.13377380371094	544.0
161.29754638671875	104.0
161.5895233154297	164.0
162.09591674804688	256.0
162.13623046875	176.0
163.10952758789062	132.0
163.1497802734375	220.0
164.14688110351562	180.0
165.1253662109375	176.0
166.80995178222656	204.0
167.08253479003906	180.0
168.58059692382812	156.0
168.921875	196.0
171.11558532714844	1168.0
172.1146697998047	160.0
173.13265991210938	576.0
173.94598388671875	148.0
174.13865661621094	188.0
175.11180114746094	308.0
175.14968872070312	664.0
176.15528869628906	236.0
177.09959411621094	148.0
177.12680053710938	288.0
181.10923767089844	192.0
182.1112518310547	184.0
183.11288452148438	452.0
185.13461303710938	408.0
187.1103973388672	160.0
187.14736938476562	740.0
187.43276977539062	148.0
189.1268768310547	132.0
189.164794921875	236.0
190.13182067871094	156.0
191.1045684814453	168.0
191.14505004882812	656.0
191.9446563720703	168.0
192.14894104003906	180.0
193.0943145751953	156.0
193.5998992919922	168.0
195.11375427246094	184.0
197.09375	140.0
197.1334686279297	500.0
198.13800048828125	268.0
199.14479064941406	228.0
200.11172485351562	140.0
200.1542510986328	160.0
200.6132049560547	140.0
201.16529846191406	372.0
202.12136840820312	172.0
203.14199829101562	1152.0
203.18385314941406	152.0
204.8411865234375	168.0
205.15692138671875	328.0
206.16281127929688	148.0
210.14053344726562	132.0
210.7050018310547	148.0
210.7396697998047	140.0
211.1471405029297	500.0
213.12742614746094	208.0
213.16285705566406	304.0
214.08706665039062	156.0
214.1311798095703	136.0
215.1046142578125	172.0
215.14138793945312	532.0
215.17642211914062	260.0
216.14910888671875	248.0
217.1573944091797	480.0
218.01004028320312	140.0
221.15135192871094	156.0
222.6244354248047	176.0
223.0284881591797	168.0
223.14012145996094	164.0
225.162841796875	488.0
226.17138671875	220.0
227.13880920410156	308.0
227.17864990234375	428.0
228.10403442382812	196.0
228.15213012695312	144.0
228.18218994140625	160.0
229.16119384765625	344.0
231.0684356689453	144.0
231.17147827148438	304.0
232.17404174804688	140.0
233.15200805664062	112.0
235.15420532226562	180.0
235.17733764648438	144.0
237.16287231445312	120.0
239.14462280273438	208.0
239.18304443359375	272.0
239.30618286132812	172.0
240.15052795410156	188.0
240.23690795898438	196.0
241.16567993164062	168.0
242.19668579101562	164.0
242.7886505126953	260.0
243.16944885253906	140.0
245.19175720214844	280.0
246.188232421875	128.0
246.77752685546875	192.0
251.18202209472656	240.0
252.17665100097656	156.0
252.84552001953125	208.0
253.15980529785156	400.0
253.18426513671875	164.0
255.17657470703125	160.0
255.75912475585938	164.0
257.1526184082031	528.0
257.81304931640625	168.0
258.2006530761719	196.0
258.56781005859375	180.0
259.1716003417969	144.0
259.203857421875	240.0
265.1566467285156	132.0
266.2066955566406	284.0
267.17364501953125	172.0
267.2103271484375	788.0
267.2419738769531	148.0
268.2143859863281	220.0
269.19073486328125	508.0
270.1880798339844	160.0
273.1832275390625	168.0
275.1673583984375	796.0
275.20599365234375	224.0
276.1731262207031	436.0
279.2130432128906	156.0
281.82012939453125	172.0
283.2073059082031	400.0
284.20880126953125	288.0
284.2353210449219	180.0
285.1103820800781	160.0
285.14398193359375	148.0
285.22100830078125	728.0
286.2235412597656	488.0
287.218017578125	164.0
288.2004089355469	172.0
291.2133483886719	324.0
298.4293518066406	172.0
299.2381591796875	152.0
301.2097473144531	132.0
303.23162841796875	248.0
304.2474365234375	160.0
307.20196533203125	144.0
307.5538024902344	220.0
309.2211608886719	1292.0
309.3860778808594	168.0
309.45343017578125	112.0
310.2298583984375	292.0
315.3907470703125	188.0
317.2633361816406	148.0
326.8424377441406	164.0
327.2311706542969	2600.0
327.6273193359375	148.0
328.2358703613281	688.0
329.2340087890625	168.0
329.2443542480469	224.0
330.1683654785156	236.0
331.2034912109375	176.0
334.6279602050781	176.0
335.5788879394531	232.0
336.25006103515625	196.0
339.2347412109375	180.0
339.9059143066406	140.0
340.65118408203125	156.0
343.0910339355469	160.0
343.44134521484375	140.0
343.91729736328125	152.0
344.0799865722656	120.0
344.3994445800781	120.0
344.6558837890625	204.0
344.8087463378906	144.0
345.0145263671875	104.0
345.143798828125	176.0
345.1836853027344	136.0
345.2442626953125	78740.0
345.3687438964844	148.0
345.3814392089844	108.0
345.69287109375	120.0
345.7351989746094	280.0
345.7673034667969	268.0
345.84515380859375	356.0
345.9180603027344	172.0
345.94873046875	192.0
346.1551513671875	152.0
346.1855773925781	212.0
346.24627685546875	13736.0
346.8381042480469	140.0
346.8778991699219	100.0
347.000732421875	152.0
347.089599609375	112.0
347.1907043457031	240.0
347.2489013671875	1972.0
347.30389404296875	140.0
347.9273376464844	136.0
348.0761413574219	104.0
348.205322265625	100.0
348.2532653808594	616.0
348.3330993652344	124.0
349.461181640625	204.0
349.569091796875	236.0
363.2453918457031	184.0
364.6274719238281	160.0
366.2330322265625	180.0
367.615478515625	108.0
386.2679748535156	152.0
1439.0670166015625	188.0
1471.18896484375	152.0
1614.9185791015625	160.0
1648.8956298828125	148.0
1871.044189453125	188.0
1973.4356689453125	156.0
2000.3431396484375	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079043
PEPMASS=366.223663
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Nafadotride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCCN1CCCC1CNC(=O)c2cc(C#N)c3ccccc3c2OC
INCHI=InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26)
INCHIAUX=IDZASIQMRGPBCQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079043
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079043
SCANS=1169
45.619720458984375	180.0
45.92538833618164	208.0
46.287662506103516	132.0
46.62128829956055	140.0
47.602142333984375	156.0
49.08280563354492	208.0
49.227928161621094	144.0
49.4530143737793	192.0
49.767032623291016	160.0
49.834449768066406	160.0
49.92722702026367	152.0
49.97083282470703	148.0
51.11126708984375	148.0
51.541893005371094	164.0
52.20846939086914	156.0
52.30918502807617	192.0
52.671119689941406	180.0
52.79975891113281	208.0
52.82000732421875	140.0
52.8952522277832	172.0
53.02995681762695	160.0
54.30574417114258	140.0
55.84978103637695	184.0
55.93110275268555	164.0
56.36210250854492	172.0
57.21702194213867	160.0
57.730037689208984	148.0
58.27268981933594	200.0
58.496246337890625	204.0
58.659236907958984	168.0
59.41699981689453	148.0
59.57741928100586	212.0
59.64042282104492	200.0
60.03147506713867	184.0
60.445465087890625	196.0
60.842247009277344	200.0
62.311885833740234	180.0
62.59815216064453	152.0
63.093589782714844	140.0
63.37055206298828	176.0
63.71642303466797	180.0
64.16203308105469	216.0
64.42375946044922	164.0
65.0306396484375	148.0
65.79202270507812	168.0
66.64555358886719	224.0
66.87484741210938	216.0
67.54873657226562	156.0
67.88285064697266	160.0
68.57662200927734	204.0
68.7200927734375	204.0
68.87260437011719	228.0
68.91161346435547	168.0
69.05046844482422	208.0
69.31037139892578	392.0
69.81002044677734	148.0
71.24579620361328	144.0
71.56365966796875	144.0
72.39443969726562	176.0
72.50115966796875	176.0
73.01556396484375	148.0
73.19084167480469	172.0
73.33734893798828	168.0
74.16461181640625	152.0
74.30694580078125	156.0
74.33782958984375	172.0
74.47517395019531	160.0
76.95841979980469	208.0
77.24520111083984	152.0
77.86041259765625	168.0
78.30536651611328	152.0
78.58035278320312	148.0
78.85197448730469	156.0
79.52177429199219	168.0
79.88603210449219	184.0
80.35099792480469	152.0
81.08772277832031	148.0
81.29396057128906	140.0
81.39268493652344	172.0
81.53459930419922	200.0
82.01695251464844	164.0
83.74006652832031	148.0
83.78924560546875	184.0
83.9004135131836	192.0
84.08464813232422	384.0
85.344970703125	192.0
85.48292541503906	140.0
85.73152923583984	196.0
85.76470184326172	152.0
86.66468811035156	188.0
86.70545959472656	164.0
87.43346405029297	212.0
88.75791931152344	156.0
88.93238830566406	184.0
89.00372314453125	204.0
89.75072479248047	156.0
89.80164337158203	156.0
89.83747863769531	156.0
89.92805480957031	176.0
90.21517181396484	168.0
90.4535140991211	156.0
91.25218963623047	176.0
91.83108520507812	156.0
91.92646789550781	180.0
92.87924194335938	180.0
93.04783630371094	140.0
93.79296875	160.0
94.34659576416016	172.0
94.5671157836914	144.0
95.5353775024414	164.0
95.74364471435547	172.0
96.0086898803711	232.0
97.08623504638672	160.0
97.10585021972656	144.0
98.09656524658203	3584.0
98.14022064208984	272.0
98.25658416748047	144.0
99.10262298583984	468.0
99.20980834960938	176.0
99.2950668334961	204.0
99.42402648925781	148.0
99.49349212646484	172.0
99.86309051513672	244.0
99.96455383300781	152.0
100.14373016357422	196.0
100.8960189819336	184.0
100.94625854492188	156.0
101.55481719970703	168.0
101.77757263183594	168.0
101.85188293457031	152.0
102.47349548339844	152.0
102.81830596923828	152.0
103.06265258789062	196.0
104.12210083007812	164.0
104.82801055908203	180.0
104.85450744628906	168.0
105.78795623779297	164.0
105.83094787597656	144.0
106.28392791748047	248.0
107.16600036621094	188.0
107.66106414794922	196.0
107.74161529541016	184.0
108.0082778930664	216.0
108.19866180419922	216.0
108.57992553710938	152.0
108.61518859863281	220.0
108.69194793701172	176.0
109.01588439941406	204.0
109.08447265625	144.0
109.15931701660156	148.0
109.38817596435547	168.0
109.95928955078125	156.0
110.02399444580078	176.0
110.40009307861328	192.0
110.91932678222656	176.0
111.09003448486328	220.0
112.11019897460938	436.0
112.2010726928711	188.0
113.1200942993164	164.0
113.26459503173828	180.0
113.6249771118164	148.0
113.90943908691406	168.0
114.07093811035156	180.0
114.19213104248047	176.0
114.34744262695312	156.0
114.4134292602539	236.0
114.57574462890625	168.0
115.04350280761719	160.0
115.13772583007812	240.0
115.25588989257812	160.0
115.60230255126953	224.0
116.6618423461914	148.0
116.9974365234375	176.0
117.07064819335938	152.0
117.54920959472656	172.0
117.8709487915039	176.0
117.9120101928711	180.0
119.13190460205078	140.0
120.9111328125	164.0
121.1498031616211	188.0
121.71345520019531	168.0
121.98465728759766	244.0
122.13980865478516	164.0
122.38188934326172	164.0
122.71678924560547	176.0
122.87779235839844	156.0
124.10973358154297	128.0
125.03057098388672	188.0
125.4481201171875	188.0
125.66890716552734	244.0
126.03955841064453	212.0
126.12836456298828	21716.0
126.21166229248047	164.0
126.34809875488281	208.0
126.3727035522461	140.0
126.67101287841797	128.0
127.05380249023438	488.0
127.1330795288086	1732.0
127.73133850097656	96.0
128.13966369628906	176.0
129.03897094726562	172.0
129.08767700195312	188.0
131.021484375	148.0
131.04844665527344	160.0
131.53228759765625	144.0
131.5665283203125	168.0
132.1127166748047	140.0
132.6325225830078	156.0
133.45437622070312	148.0
133.62457275390625	140.0
133.98031616210938	164.0
134.2510528564453	188.0
135.11495971679688	184.0
135.8354034423828	196.0
136.24806213378906	132.0
136.72528076171875	148.0
137.06060791015625	196.0
137.12818908691406	188.0
137.40101623535156	164.0
137.419677734375	204.0
137.6577606201172	200.0
138.1282958984375	324.0
139.0409698486328	496.0
139.13453674316406	272.0
139.1873321533203	184.0
139.8232879638672	364.0
139.94859313964844	144.0
140.01930236816406	144.0
140.04794311523438	232.0
140.07818603515625	152.0
140.11813354492188	168.0
140.14398193359375	58992.0
140.20191955566406	96.0
140.3765106201172	144.0
140.65354919433594	152.0
140.80833435058594	100.0
140.90623474121094	152.0
141.0827178955078	136.0
141.14596557617188	3940.0
141.44908142089844	120.0
141.57798767089844	164.0
142.15293884277344	460.0
142.26321411132812	104.0
142.3115997314453	96.0
142.9025115966797	192.0
143.03463745117188	168.0
143.1548309326172	208.0
144.24037170410156	140.0
145.06320190429688	140.0
145.46682739257812	184.0
146.5321807861328	148.0
146.7876739501953	180.0
147.54580688476562	144.0
148.0757293701172	196.0
148.09510803222656	148.0
148.12660217285156	228.0
148.6066131591797	168.0
150.93515014648438	188.0
151.34132385253906	172.0
152.05120849609375	508.0
152.192138671875	164.0
152.3352508544922	160.0
152.75245666503906	224.0
153.05650329589844	424.0
153.74786376953125	216.0
154.06500244140625	4956.0
154.14544677734375	172.0
155.0668487548828	712.0
155.15614318847656	328.0
155.4082489013672	176.0
155.91482543945312	176.0
155.98440551757812	160.0
156.06893920898438	160.0
156.2305908203125	240.0
156.89552307128906	180.0
157.0507354736328	164.0
158.09954833984375	100.0
158.1564178466797	492.0
159.08447265625	228.0
159.37696838378906	156.0
159.72775268554688	168.0
161.136962890625	148.0
162.02749633789062	144.0
164.37429809570312	192.0
164.46762084960938	184.0
164.8415985107422	228.0
165.55018615722656	156.0
165.9268341064453	220.0
165.96786499023438	152.0
165.99606323242188	188.0
166.8793487548828	140.0
167.03598022460938	708.0
167.08251953125	140.0
167.92225646972656	148.0
168.03443908691406	132.0
168.08995056152344	168.0
168.4643096923828	140.0
169.28419494628906	188.0
170.05992126464844	168.0
170.5580596923828	152.0
171.1824493408203	184.0
171.988037109375	164.0
172.07418823242188	148.0
172.9158935546875	148.0
173.53147888183594	192.0
175.06072998046875	184.0
175.68011474609375	184.0
176.4909210205078	160.0
176.7051544189453	140.0
177.13931274414062	156.0
177.2002410888672	144.0
178.5673065185547	176.0
178.6178436279297	176.0
178.80409240722656	172.0
180.0514678955078	276.0
180.39251708984375	152.0
181.05667114257812	156.0
181.2019805908203	144.0
181.90728759765625	188.0
182.0609130859375	7232.0
182.29608154296875	168.0
182.4052276611328	108.0
182.70541381835938	152.0
183.0630340576172	1540.0
183.14401245117188	312.0
183.39207458496094	168.0
184.03140258789062	164.0
184.05917358398438	168.0
184.569091796875	140.0
184.78005981445312	152.0
185.36761474609375	168.0
186.1732940673828	176.0
186.50474548339844	144.0
187.57720947265625	196.0
188.3275604248047	172.0
188.5816650390625	164.0
188.70468139648438	144.0
188.9344024658203	168.0
188.9727020263672	156.0
189.84649658203125	144.0
190.06320190429688	156.0
190.5931396484375	144.0
190.9560089111328	272.0
191.88949584960938	144.0
192.54347229003906	188.0
193.74668884277344	212.0
194.0155029296875	140.0
194.19297790527344	192.0
194.27340698242188	160.0
194.37051391601562	156.0
195.0312957763672	4164.0
195.1482391357422	192.0
196.034912109375	800.0
196.0748748779297	184.0
196.62181091308594	188.0
196.96243286132812	168.0
197.07696533203125	148.0
197.91607666015625	140.0
201.4481201171875	136.0
201.6547393798828	140.0
202.07608032226562	344.0
202.43272399902344	144.0
202.57150268554688	172.0
203.07321166992188	196.0
203.34841918945312	144.0
203.6351776123047	148.0
203.87380981445312	192.0
204.14956665039062	156.0
206.13931274414062	164.0
206.3834228515625	148.0
206.46092224121094	152.0
207.55335998535156	148.0
208.6070098876953	148.0
208.65013122558594	164.0
208.97512817382812	240.0
209.03860473632812	200.0
209.07408142089844	200.0
209.1967315673828	152.0
209.38916015625	212.0
209.44857788085938	148.0
209.5098419189453	252.0
209.53366088867188	144.0
209.57688903808594	252.0
209.70944213867188	192.0
209.85845947265625	156.0
209.9135284423828	96.0
209.9651336669922	192.0
210.05616760253906	129156.0
210.1232147216797	188.0
210.25430297851562	204.0
210.33824157714844	128.0
210.36993408203125	152.0
210.53038024902344	204.0
210.63604736328125	96.0
210.72740173339844	176.0
210.75987243652344	200.0
210.85179138183594	104.0
211.0585479736328	15444.0
211.19105529785156	112.0
211.32510375976562	172.0
211.5048065185547	116.0
211.7648468017578	120.0
212.06356811523438	944.0
212.25924682617188	116.0
212.5662384033203	120.0
212.65695190429688	176.0
212.77737426757812	104.0
213.04339599609375	1860.0
213.08726501464844	160.0
214.0478515625	580.0
214.48329162597656	152.0
214.9040985107422	160.0
215.13670349121094	152.0
215.52992248535156	132.0
215.720947265625	144.0
215.81649780273438	136.0
216.13331604003906	180.0
217.49868774414062	172.0
218.156982421875	168.0
218.40692138671875	176.0
218.75120544433594	164.0
219.4105987548828	168.0
221.59217834472656	152.0
221.63070678710938	168.0
221.74923706054688	156.0
222.82044982910156	140.0
223.1116943359375	140.0
223.5161895751953	144.0
223.6582489013672	156.0
224.05203247070312	148.0
224.6927490234375	160.0
226.04025268554688	172.0
226.8522491455078	148.0
227.08590698242188	272.0
228.11001586914062	244.0
228.78085327148438	156.0
229.0880126953125	252.0
230.04627990722656	176.0
230.85366821289062	208.0
232.766845703125	212.0
233.01483154296875	152.0
234.7253875732422	188.0
234.7834014892578	160.0
235.20245361328125	160.0
237.08224487304688	172.0
237.1558074951172	176.0
237.25082397460938	152.0
237.33973693847656	164.0
237.55442810058594	208.0
237.72055053710938	136.0
237.79376220703125	160.0
239.2538299560547	232.0
239.28768920898438	148.0
239.61106872558594	152.0
239.86068725585938	180.0
240.14126586914062	168.0
242.11923217773438	148.0
242.70849609375	128.0
244.4188232421875	204.0
245.63763427734375	212.0
246.36810302734375	156.0
247.06800842285156	172.0
247.1309356689453	200.0
248.03599548339844	180.0
248.4405059814453	140.0
248.78570556640625	264.0
249.4453887939453	180.0
249.49061584472656	108.0
249.5177001953125	148.0
250.14686584472656	252.0
251.7611541748047	160.0
251.90960693359375	144.0
251.947509765625	156.0
252.37417602539062	224.0
253.41055297851562	108.0
253.78314208984375	152.0
254.2494354248047	140.0
254.7415771484375	176.0
254.91949462890625	160.0
255.549072265625	148.0
256.2144775390625	180.0
256.2718200683594	168.0
256.5172119140625	176.0
257.2445068359375	168.0
258.577392578125	156.0
259.1954345703125	184.0
259.4489440917969	160.0
259.80780029296875	168.0
261.8199157714844	148.0
263.8527526855469	152.0
265.02435302734375	196.0
265.05352783203125	188.0
265.17486572265625	172.0
265.228515625	276.0
265.5787048339844	176.0
266.9914855957031	176.0
267.0597839355469	152.0
267.5706787109375	180.0
267.7823181152344	240.0
267.9321594238281	156.0
268.46221923828125	104.0
269.1160583496094	144.0
269.62890625	176.0
270.0179748535156	196.0
270.8656921386719	164.0
271.2130126953125	140.0
273.98333740234375	148.0
274.19732666015625	176.0
274.75128173828125	148.0
274.8271789550781	168.0
275.83441162109375	196.0
276.1783142089844	160.0
277.1085205078125	180.0
277.58642578125	172.0
278.0104064941406	200.0
278.1050720214844	116.0
278.64794921875	180.0
279.1130065917969	164.0
279.7919921875	192.0
280.1216735839844	160.0
280.5281066894531	108.0
281.02178955078125	208.0
281.130615234375	276.0
281.3989562988281	228.0
281.4556884765625	188.0
282.13458251953125	188.0
282.2074890136719	180.0
283.0138244628906	168.0
283.21478271484375	180.0
284.0594482421875	148.0
285.88385009765625	144.0
286.8841857910156	148.0
287.33270263671875	196.0
287.9267883300781	176.0
290.1295166015625	196.0
290.6348571777344	180.0
291.5075378417969	164.0
291.7250671386719	180.0
292.43597412109375	184.0
293.05572509765625	160.0
293.1308288574219	764.0
293.30108642578125	140.0
294.1333923339844	380.0
294.5977783203125	324.0
294.75494384765625	140.0
294.99505615234375	188.0
295.69879150390625	188.0
295.94525146484375	148.0
296.19549560546875	108.0
296.9182434082031	148.0
297.5379943847656	108.0
297.6390686035156	148.0
297.7769470214844	132.0
297.84857177734375	192.0
299.66839599609375	148.0
299.8027648925781	140.0
300.46826171875	216.0
301.3451843261719	160.0
301.95452880859375	124.0
302.6046142578125	120.0
303.84832763671875	144.0
304.4234924316406	180.0
304.5043640136719	148.0
304.6155090332031	172.0
305.9160461425781	152.0
306.1354064941406	180.0
306.218994140625	192.0
306.8845520019531	192.0
307.0903015136719	176.0
307.1217041015625	148.0
307.3589172363281	172.0
307.40777587890625	164.0
307.56134033203125	204.0
307.652099609375	148.0
307.8895263671875	168.0
308.1375427246094	308.0
308.16522216796875	104.0
308.3471984863281	148.0
308.97308349609375	156.0
309.134033203125	180.0
309.6591796875	180.0
310.1580810546875	408.0
310.6405944824219	152.0
310.8546142578125	140.0
310.8901672363281	148.0
311.4057922363281	172.0
311.8590087890625	148.0
312.1437683105469	156.0
314.066650390625	152.0
314.1011657714844	148.0
314.6065368652344	148.0
314.6806945800781	148.0
315.058837890625	160.0
315.5922546386719	164.0
315.70892333984375	144.0
316.1865234375	144.0
316.2325439453125	204.0
316.4767761230469	148.0
316.6148986816406	148.0
317.7810974121094	176.0
318.6545104980469	164.0
319.7637023925781	112.0
320.15911865234375	224.0
320.62225341796875	176.0
321.0571594238281	168.0
321.6922607421875	216.0
322.87493896484375	140.0
323.1611022949219	224.0
323.2433776855469	148.0
323.644287109375	140.0
325.052978515625	140.0
325.0924377441406	164.0
327.0799255371094	172.0
327.3427429199219	184.0
328.3490295410156	120.0
330.3130187988281	148.0
330.4070739746094	160.0
330.92462158203125	180.0
331.00701904296875	196.0
331.5854187011719	152.0
332.1748962402344	188.0
332.5450134277344	176.0
332.7010803222656	140.0
333.8710632324219	168.0
334.2748718261719	144.0
334.6315612792969	168.0
334.78814697265625	140.0
335.67730712890625	148.0
335.771240234375	148.0
335.8565673828125	176.0
336.0165100097656	164.0
336.3996887207031	140.0
336.9840087890625	172.0
337.2806091308594	220.0
337.4299011230469	148.0
338.2310485839844	160.0
338.3481750488281	140.0
338.53125	156.0
339.5820007324219	224.0
340.6492004394531	160.0
341.12152099609375	148.0
341.8203125	152.0
342.5087585449219	160.0
342.58245849609375	172.0
342.82562255859375	176.0
343.62945556640625	164.0
344.005859375	176.0
344.3462829589844	164.0
344.44158935546875	164.0
344.751953125	148.0
344.9529113769531	140.0
345.5473937988281	144.0
346.1257629394531	176.0
346.8726806640625	204.0
348.0747375488281	184.0
348.6430969238281	144.0
349.19903564453125	200.0
349.27886962890625	140.0
350.3174133300781	184.0
350.5148620605469	184.0
350.62060546875	152.0
351.1944580078125	852.0
351.3371276855469	144.0
352.18017578125	124.0
352.4178161621094	192.0
352.5897216796875	164.0
353.8540344238281	144.0
354.2734680175781	188.0
354.34503173828125	196.0
355.4132080078125	172.0
355.6346130371094	184.0
356.42352294921875	248.0
357.26544189453125	140.0
358.7477722167969	152.0
359.5509338378906	196.0
359.6369323730469	104.0
359.8885192871094	152.0
359.9866943359375	216.0
361.3436279296875	184.0
361.5404052734375	164.0
361.5950927734375	216.0
362.2144775390625	192.0
362.2711486816406	192.0
362.3116455078125	168.0
362.39239501953125	144.0
362.5174255371094	152.0
362.8945007324219	124.0
363.08721923828125	148.0
363.1178894042969	132.0
363.21343994140625	144.0
363.3150634765625	140.0
363.5483093261719	160.0
363.5827331542969	112.0
363.74151611328125	160.0
363.78955078125	124.0
363.89111328125	148.0
363.9608154296875	148.0
364.01800537109375	244.0
364.0425720214844	160.0
364.1105041503906	156.0
364.1998291015625	844.0
364.2533874511719	456.0
364.34716796875	232.0
364.4136962890625	192.0
364.473876953125	160.0
364.5285339355469	184.0
364.5755615234375	136.0
364.6463317871094	140.0
364.69451904296875	156.0
364.7503662109375	348.0
364.7864685058594	148.0
364.96484375	216.0
365.00335693359375	116.0
365.0286560058594	152.0
365.0893249511719	160.0
365.12615966796875	252.0
365.1640930175781	240.0
365.2047119140625	136.0
365.3184814453125	140.0
365.346435546875	228.0
365.39935302734375	180.0
365.4490966796875	252.0
365.489501953125	128.0
365.56561279296875	232.0
365.6244201660156	296.0
365.68572998046875	232.0
365.7959899902344	336.0
365.8278503417969	376.0
365.8973083496094	452.0
365.9382629394531	360.0
366.0009765625	236.0
366.0439147949219	228.0
366.0572509765625	304.0
366.0892333984375	1168.0
366.14117431640625	736.0
366.1693115234375	988.0
366.2207336425781	236704.0
366.3559265136719	176.0
366.4095458984375	116.0
366.4923095703125	312.0
366.5695495605469	496.0
366.6318054199219	300.0
366.69061279296875	288.0
366.7252502441406	400.0
366.7996826171875	596.0
366.8481140136719	10200.0
366.890869140625	612.0
366.9364318847656	288.0
367.088623046875	240.0
367.1442565917969	656.0
367.1726379394531	520.0
367.22265625	135100.0
367.3754577636719	152.0
367.4916687011719	268.0
367.54278564453125	172.0
367.6854553222656	196.0
367.71832275390625	208.0
367.76422119140625	288.0
367.7954406738281	284.0
367.8481750488281	740.0
367.8841552734375	144.0
367.9163818359375	368.0
368.0052795410156	144.0
368.0865478515625	204.0
368.1335144042969	220.0
368.17401123046875	236.0
368.2250671386719	15560.0
368.3036193847656	112.0
368.34423828125	156.0
368.4022521972656	272.0
368.4502258300781	148.0
368.6413879394531	104.0
368.73565673828125	284.0
368.887939453125	148.0
368.96368408203125	196.0
368.99261474609375	156.0
369.0249938964844	336.0
369.09466552734375	268.0
369.1648254394531	180.0
369.2250061035156	1316.0
369.2798156738281	168.0
369.3233947753906	140.0
369.364013671875	148.0
369.44671630859375	260.0
369.47625732421875	544.0
369.5712890625	484.0
369.6567687988281	496.0
369.7308654785156	424.0
369.7752380371094	240.0
369.8493957519531	176.0
369.91241455078125	124.0
370.0179138183594	148.0
370.0527648925781	200.0
370.105712890625	164.0
370.24200439453125	180.0
370.2877197265625	204.0
370.36358642578125	148.0
370.4278259277344	120.0
370.5055236816406	148.0
370.5732116699219	132.0
370.64337158203125	112.0
370.7762451171875	148.0
370.892333984375	164.0
371.23724365234375	112.0
371.3083190917969	100.0
371.370849609375	140.0
371.7938537597656	132.0
371.85986328125	104.0
373.2615661621094	108.0
374.09783935546875	144.0
376.7290954589844	96.0
379.1103515625	112.0
380.00335693359375	208.0
380.3851623535156	124.0
381.0899353027344	148.0
381.1213073730469	124.0
381.7608337402344	104.0
384.06072998046875	204.0
389.368408203125	104.0
394.6595153808594	120.0
397.0281677246094	180.0
442.6072082519531	152.0
460.24859619140625	140.0
500.05316162109375	156.0
545.257080078125	148.0
547.3737182617188	144.0
666.329833984375	104.0
669.0889892578125	164.0
713.053955078125	148.0
732.587646484375	108.0
802.2972412109375	136.0
806.301513671875	100.0
832.574462890625	140.0
854.8660888671875	148.0
933.1619262695312	140.0
959.88916015625	260.0
984.1445922851562	168.0
1084.7147216796875	100.0
1202.007080078125	164.0
1231.3515625	184.0
1272.44775390625	192.0
1301.57177734375	180.0
1367.9617919921875	252.0
1378.2352294921875	168.0
1384.65625	144.0
1387.04443359375	160.0
1393.75830078125	184.0
1407.57568359375	172.0
1426.6361083984375	228.0
1434.4649658203125	192.0
1456.636474609375	172.0
1470.9293212890625	160.0
1471.1278076171875	196.0
1471.2728271484375	260.0
1488.6688232421875	148.0
1489.6058349609375	156.0
1502.0682373046875	156.0
1507.51123046875	192.0
1520.7078857421875	140.0
1526.1146240234375	168.0
1540.790283203125	260.0
1563.12841796875	148.0
1575.9652099609375	152.0
1584.2801513671875	216.0
1586.12646484375	256.0
1620.7142333984375	160.0
1625.3167724609375	148.0
1629.194580078125	148.0
1634.6136474609375	176.0
1637.5819091796875	184.0
1650.9652099609375	152.0
1664.0107421875	164.0
1669.2271728515625	176.0
1698.1287841796875	272.0
1724.9796142578125	160.0
1726.046142578125	148.0
1729.007568359375	156.0
1732.2532958984375	152.0
1733.2474365234375	168.0
1735.9000244140625	204.0
1746.69677734375	144.0
1751.9744873046875	164.0
1770.4921875	164.0
1771.681640625	208.0
1778.3143310546875	156.0
1797.02099609375	152.0
1797.72607421875	156.0
1799.0633544921875	180.0
1799.59521484375	248.0
1809.7496337890625	176.0
1823.152099609375	144.0
1823.6025390625	168.0
1831.8902587890625	204.0
1834.3699951171875	148.0
1838.3017578125	208.0
1838.9417724609375	160.0
1842.13525390625	164.0
1844.7586669921875	252.0
1845.5709228515625	152.0
1848.359375	192.0
1859.6629638671875	212.0
1859.748779296875	180.0
1865.7274169921875	180.0
1868.7288818359375	148.0
1874.98046875	152.0
1885.2586669921875	184.0
1901.05419921875	172.0
1913.805908203125	196.0
1919.801025390625	184.0
1933.472900390625	168.0
1942.830810546875	172.0
1947.0303955078125	184.0
1947.6412353515625	164.0
1947.85205078125	216.0
1948.1243896484375	188.0
1948.5548095703125	148.0
1948.6778564453125	144.0
1955.7745361328125	144.0
1966.1038818359375	160.0
1967.657470703125	164.0
1970.3687744140625	140.0
1977.0179443359375	228.0
1991.4423828125	140.0
1994.29443359375	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079044
PEPMASS=402.189941
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1cccc(CCN2CCC(CC2)C(=O)c3ccc(NS(=O)(=O)C)cc3)n1
INCHI=InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3
INCHIAUX=SRUISGSHWFJION-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079044
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079044
SCANS=993
47.88953399658203	164.0
49.134368896484375	188.0
50.3499755859375	180.0
51.03583526611328	140.0
51.173851013183594	168.0
52.10780334472656	144.0
53.211238861083984	144.0
53.32599639892578	176.0
53.69434356689453	148.0
56.11875915527344	220.0
57.81016540527344	200.0
59.12350845336914	176.0
60.40518569946289	184.0
62.632747650146484	288.0
62.89923095703125	168.0
63.89919662475586	220.0
65.37772369384766	160.0
67.07350158691406	204.0
70.45500183105469	176.0
72.66558074951172	144.0
73.06482696533203	176.0
74.78288269042969	212.0
75.61477661132812	176.0
76.48782348632812	140.0
79.37977600097656	140.0
79.93577575683594	160.0
81.73053741455078	188.0
83.03118896484375	168.0
84.0718002319336	176.0
84.48473358154297	172.0
85.6467056274414	176.0
86.42021179199219	188.0
86.98174285888672	168.0
87.09500885009766	172.0
89.5433578491211	180.0
90.30585479736328	152.0
91.01840209960938	148.0
93.10755157470703	144.0
93.33623504638672	196.0
93.35546112060547	176.0
94.55928802490234	144.0
96.07881927490234	168.0
96.39903259277344	204.0
97.09595489501953	148.0
98.0080795288086	140.0
99.68607330322266	180.0
100.00626373291016	160.0
101.22406005859375	168.0
102.1613540649414	192.0
102.44116973876953	188.0
102.83638000488281	180.0
103.02013397216797	184.0
106.06439971923828	144.0
107.77664184570312	152.0
108.34353637695312	212.0
108.50933074951172	144.0
109.04904174804688	144.0
111.63549041748047	128.0
112.07395935058594	436.0
112.5137939453125	220.0
112.84548950195312	156.0
114.43888092041016	176.0
115.03154754638672	176.0
115.9062728881836	144.0
115.92769622802734	156.0
117.82115173339844	148.0
119.0470962524414	152.0
119.67768096923828	172.0
120.07945251464844	260.0
120.23136138916016	156.0
121.71554565429688	152.0
121.78582000732422	140.0
121.96599578857422	192.0
123.89907836914062	176.0
124.02760314941406	140.0
126.51583099365234	172.0
127.25117492675781	184.0
128.3311309814453	192.0
128.40328979492188	164.0
129.08529663085938	148.0
129.57192993164062	156.0
129.98716735839844	128.0
130.0654754638672	192.0
130.9507598876953	184.0
131.11251831054688	152.0
132.09796142578125	192.0
132.31170654296875	168.0
133.05679321289062	164.0
133.7095947265625	164.0
134.09190368652344	200.0
135.10789489746094	188.0
135.3787078857422	140.0
137.6623077392578	180.0
137.74172973632812	168.0
137.91229248046875	152.0
140.04273986816406	188.0
140.93917846679688	160.0
140.95571899414062	140.0
142.22511291503906	188.0
142.34144592285156	192.0
143.81507873535156	160.0
144.0299835205078	184.0
144.08013916015625	256.0
145.0607452392578	136.0
145.08526611328125	160.0
146.52964782714844	196.0
146.97569274902344	164.0
147.04566955566406	148.0
147.06739807128906	556.0
147.14463806152344	220.0
147.2991943359375	260.0
147.8141632080078	176.0
148.07676696777344	172.0
148.50701904296875	240.0
149.4252471923828	188.0
150.08285522460938	152.0
151.52732849121094	152.0
152.14535522460938	148.0
152.17236328125	160.0
152.4425506591797	156.0
153.50843811035156	164.0
153.66136169433594	156.0
154.01931762695312	208.0
158.05926513671875	144.0
159.0642547607422	204.0
159.8911590576172	180.0
160.06719970703125	228.0
160.91456604003906	244.0
162.33912658691406	176.0
162.87716674804688	148.0
163.50772094726562	172.0
163.7674102783203	148.0
165.82672119140625	188.0
167.64883422851562	236.0
168.13882446289062	196.0
169.0769500732422	160.0
169.72975158691406	188.0
170.500732421875	204.0
170.77891540527344	152.0
171.0391082763672	208.0
172.0762481689453	2804.0
172.72996520996094	144.0
173.01258850097656	168.0
173.0819854736328	1368.0
173.86708068847656	144.0
174.08828735351562	284.0
174.15586853027344	208.0
174.24256896972656	184.0
174.52378845214844	156.0
174.7157745361328	152.0
175.0869140625	212.0
175.17909240722656	160.0
177.4253692626953	228.0
177.9002227783203	196.0
178.02235412597656	144.0
181.43231201171875	160.0
181.47251892089844	156.0
181.5797882080078	180.0
182.54656982421875	168.0
183.56076049804688	184.0
184.04296875	1880.0
184.1770782470703	232.0
184.85836791992188	148.0
185.0108642578125	140.0
185.0448455810547	444.0
185.73887634277344	180.0
186.03440856933594	136.0
186.0933380126953	788.0
186.27362060546875	144.0
186.88803100585938	144.0
187.10003662109375	196.0
187.9097442626953	176.0
188.1004638671875	140.0
193.330322265625	172.0
193.97653198242188	188.0
194.21499633789062	188.0
194.9423828125	164.0
195.59841918945312	176.0
196.05030822753906	180.0
197.11033630371094	144.0
197.2640380859375	160.0
197.62200927734375	184.0
198.02297973632812	324.0
198.24644470214844	232.0
198.9476318359375	144.0
199.02796936035156	124.0
199.1253662109375	216.0
200.06649780273438	148.0
200.11154174804688	196.0
201.6008758544922	176.0
202.4353790283203	176.0
204.58755493164062	176.0
204.63026428222656	236.0
205.01194763183594	196.0
205.6964569091797	172.0
205.95343017578125	180.0
206.67098999023438	140.0
211.1007843017578	152.0
211.8069610595703	196.0
212.84519958496094	196.0
213.5222930908203	168.0
215.0606231689453	164.0
215.52029418945312	100.0
215.73538208007812	144.0
215.8682098388672	116.0
215.8961944580078	168.0
216.02391052246094	132.0
216.0934295654297	140.0
216.1261749267578	43312.0
216.2029266357422	108.0
216.29953002929688	104.0
216.47776794433594	180.0
216.5334014892578	120.0
216.61248779296875	120.0
216.9180145263672	164.0
217.12945556640625	5776.0
217.95106506347656	176.0
218.03628540039062	180.0
218.12985229492188	588.0
218.73924255371094	208.0
219.03663635253906	176.0
219.27529907226562	168.0
219.5317840576172	148.0
220.29031372070312	140.0
221.6836395263672	172.0
223.1293487548828	212.0
224.6332244873047	144.0
225.43637084960938	140.0
228.4947509765625	160.0
229.76309204101562	156.0
230.8353271484375	156.0
231.47894287109375	132.0
232.17381286621094	140.0
233.61959838867188	144.0
233.6895751953125	208.0
234.4934844970703	140.0
236.25534057617188	180.0
236.43893432617188	140.0
236.57054138183594	148.0
237.41006469726562	216.0
238.30943298339844	152.0
238.6321563720703	176.0
239.0627899169922	184.0
242.51559448242188	188.0
243.49911499023438	156.0
244.6900634765625	160.0
244.77220153808594	136.0
245.2507781982422	148.0
245.39105224609375	192.0
246.50535583496094	164.0
246.5959930419922	172.0
247.95741271972656	160.0
249.2283172607422	188.0
249.46717834472656	204.0
249.94207763671875	172.0
252.0690460205078	12148.0
253.07139587402344	1404.0
253.24310302734375	172.0
253.50662231445312	120.0
254.0625457763672	880.0
255.0654754638672	168.0
255.1640167236328	176.0
255.85003662109375	176.0
256.15692138671875	164.0
258.5227355957031	140.0
262.29010009765625	144.0
262.4029235839844	176.0
262.9351501464844	152.0
263.64886474609375	160.0
263.7716979980469	152.0
264.3894348144531	160.0
265.83477783203125	316.0
265.93536376953125	168.0
266.0851135253906	1696.0
267.0849609375	288.0
267.4076843261719	148.0
268.0799865722656	460.0
268.35888671875	148.0
268.5023498535156	176.0
270.97027587890625	172.0
277.45294189453125	272.0
277.49273681640625	156.0
278.65765380859375	140.0
278.8238220214844	152.0
279.13629150390625	164.0
279.4622497558594	184.0
280.82806396484375	168.0
281.6658630371094	172.0
283.3384704589844	156.0
283.63671875	164.0
285.0832214355469	168.0
286.8603210449219	168.0
288.0683898925781	160.0
288.217041015625	164.0
288.9743957519531	152.0
289.8242492675781	140.0
290.84161376953125	144.0
291.802978515625	144.0
291.8437805175781	164.0
293.1093444824219	156.0
293.7816467285156	148.0
294.0553283691406	176.0
294.093994140625	152.0
294.41650390625	200.0
294.5599365234375	140.0
294.6156005859375	136.0
294.67071533203125	108.0
294.86956787109375	232.0
294.95770263671875	280.0
294.9977111816406	296.0
295.1119689941406	159052.0
295.2213134765625	300.0
295.3897705078125	152.0
295.4723815917969	132.0
295.58990478515625	144.0
295.6290283203125	132.0
295.66986083984375	152.0
295.7498779296875	160.0
295.90142822265625	160.0
295.9643859863281	104.0
296.1144714355469	19628.0
296.2582702636719	148.0
296.4131774902344	152.0
296.47412109375	144.0
296.64990234375	216.0
296.728759765625	124.0
297.1108093261719	6808.0
297.20037841796875	152.0
297.2329406738281	116.0
297.39849853515625	244.0
297.4380798339844	144.0
297.6343078613281	108.0
297.73309326171875	104.0
297.81927490234375	184.0
298.0003356933594	96.0
298.1103515625	1180.0
298.1767883300781	128.0
298.2294616699219	240.0
298.31854248046875	116.0
298.5163879394531	144.0
299.10699462890625	152.0
300.19549560546875	196.0
301.04095458984375	216.0
301.90679931640625	116.0
305.0635070800781	152.0
307.4668273925781	160.0
307.5261535644531	148.0
309.86907958984375	176.0
310.3211975097656	176.0
312.0942687988281	172.0
313.3965759277344	196.0
314.3945007324219	208.0
315.99871826171875	148.0
318.5248107910156	104.0
320.867919921875	168.0
323.1572265625	140.0
323.4435119628906	220.0
323.76934814453125	216.0
325.3757019042969	196.0
326.68023681640625	148.0
327.1143798828125	116.0
328.4488830566406	144.0
337.3345642089844	156.0
338.50897216796875	152.0
341.5146789550781	160.0
342.55267333984375	164.0
344.0867919921875	168.0
345.92041015625	160.0
347.1578674316406	216.0
348.33441162109375	152.0
348.9438781738281	168.0
350.99169921875	140.0
351.8572998046875	180.0
353.7900695800781	232.0
353.9098815917969	144.0
356.55072021484375	176.0
357.1221923828125	212.0
358.549072265625	160.0
363.0478210449219	208.0
364.190185546875	192.0
364.6955261230469	144.0
364.995849609375	152.0
366.6670227050781	168.0
373.8322448730469	156.0
375.6700744628906	172.0
376.3802185058594	156.0
376.4149475097656	144.0
376.7162170410156	156.0
376.8977966308594	220.0
381.0784606933594	152.0
382.54852294921875	172.0
384.16571044921875	212.0
385.5987243652344	172.0
389.045654296875	168.0
390.0276794433594	196.0
390.538818359375	140.0
391.9087829589844	156.0
395.6014404296875	176.0
396.7740478515625	140.0
397.1181335449219	124.0
398.0606384277344	104.0
398.9080505371094	172.0
399.7757568359375	116.0
399.8644104003906	180.0
400.0196228027344	192.0
400.1795654296875	116.0
400.22503662109375	188.0
400.4006042480469	152.0
400.4754333496094	120.0
400.56280517578125	108.0
400.67486572265625	208.0
400.7798156738281	128.0
400.84600830078125	228.0
400.963623046875	140.0
401.0147399902344	112.0
401.0675354003906	104.0
401.1335144042969	172.0
401.2187194824219	140.0
401.5314025878906	140.0
401.6123352050781	420.0
401.65087890625	192.0
401.73193359375	340.0
401.8244934082031	112.0
401.87091064453125	188.0
401.9224853515625	236.0
401.9508361816406	252.0
402.0579833984375	184.0
402.0966491699219	416.0
402.1866149902344	172664.0
402.2930908203125	176.0
402.3346252441406	156.0
402.43328857421875	176.0
402.4654541015625	220.0
402.50799560546875	132.0
402.5548095703125	236.0
402.6240539550781	192.0
402.6571350097656	212.0
402.6905212402344	152.0
402.74029541015625	220.0
402.7809143066406	224.0
402.8427429199219	2028.0
402.8810729980469	144.0
402.9362487792969	128.0
402.9777526855469	208.0
403.0256652832031	284.0
403.060302734375	176.0
403.1318664550781	424.0
403.1888732910156	58576.0
403.30810546875	152.0
403.4149475097656	132.0
403.53399658203125	172.0
403.5942687988281	140.0
403.67230224609375	100.0
403.7716979980469	144.0
403.8402099609375	140.0
403.8655700683594	172.0
403.9958801269531	124.0
404.0278015136719	188.0
404.1025390625	152.0
404.1853332519531	13460.0
404.33953857421875	248.0
404.44647216796875	244.0
404.7637634277344	128.0
404.8807067871094	124.0
404.9229736328125	112.0
405.02093505859375	172.0
405.1161193847656	140.0
405.1897277832031	2608.0
405.2511901855469	140.0
405.3133850097656	168.0
405.3603515625	112.0
405.3877258300781	128.0
405.4748229980469	184.0
405.5614013671875	104.0
405.71173095703125	240.0
405.7545166015625	260.0
405.7919616699219	332.0
405.82452392578125	156.0
405.9281005859375	188.0
406.0021057128906	168.0
406.03173828125	100.0
406.1199645996094	236.0
406.1932373046875	192.0
406.2569885253906	120.0
406.30902099609375	184.0
406.3739318847656	156.0
406.4148864746094	116.0
406.74713134765625	156.0
406.7886047363281	156.0
407.11248779296875	216.0
407.28277587890625	96.0
407.57305908203125	104.0
407.62420654296875	120.0
407.6760559082031	96.0
408.57958984375	152.0
408.90423583984375	96.0
409.7961120605469	96.0
607.6757202148438	152.0
655.3368530273438	140.0
946.5785522460938	144.0
1089.00732421875	144.0
1275.614990234375	232.0
1346.8204345703125	172.0
1579.0704345703125	168.0
1946.80517578125	184.0
1991.4228515625	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079045
PEPMASS=201.597885
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1cccc(CCN2CCC(CC2)C(=O)c3ccc(NS(=O)(=O)C)cc3)n1
INCHI=InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3
INCHIAUX=SRUISGSHWFJION-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079045
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079045
SCANS=998
45.69364929199219	140.0
49.45437240600586	164.0
50.285030364990234	144.0
50.831295013427734	188.0
56.4472541809082	180.0
58.14812088012695	140.0
58.958343505859375	176.0
60.99909210205078	180.0
66.13304138183594	224.0
70.37984466552734	196.0
74.3617935180664	184.0
79.4489517211914	144.0
81.38005065917969	144.0
84.43534851074219	180.0
86.473876953125	144.0
87.79853057861328	152.0
88.06541442871094	200.0
88.5704345703125	236.0
91.06587982177734	148.0
91.89967346191406	176.0
92.05046844482422	176.0
94.06697082519531	192.0
94.9758529663086	144.0
96.75892639160156	164.0
97.0881118774414	248.0
99.08882904052734	168.0
100.06343078613281	200.0
100.56632995605469	208.0
101.00591278076172	140.0
101.07450103759766	212.0
101.6991958618164	232.0
101.76544189453125	164.0
102.08101654052734	1672.0
102.58209228515625	396.0
103.58451843261719	164.0
103.9859848022461	180.0
105.0338363647461	156.0
105.07463836669922	168.0
106.06295776367188	232.0
107.03408813476562	144.0
107.07283020019531	2168.0
107.57218170166016	340.0
108.04335021972656	408.0
108.07910919189453	1188.0
109.07230377197266	456.0
111.06391143798828	164.0
112.08130645751953	148.0
113.8265151977539	160.0
114.37714385986328	196.0
115.05380249023438	320.0
115.21733093261719	168.0
116.07746887207031	712.0
116.58006286621094	328.0
117.44123077392578	192.0
118.0697250366211	204.0
118.2125015258789	172.0
120.04386138916016	504.0
120.08120727539062	2144.0
121.0845718383789	340.0
121.95940399169922	140.0
122.0580825805664	568.0
122.09131622314453	156.0
122.38838195800781	156.0
123.00788116455078	172.0
123.06307220458984	256.0
124.0652847290039	216.0
127.05368041992188	188.0
127.91886138916016	176.0
128.0701446533203	192.0
128.62440490722656	172.0
128.7169647216797	148.0
129.073486328125	320.0
130.06744384765625	324.0
131.0684356689453	244.0
132.06346130371094	168.0
133.07595825195312	312.0
134.0965118408203	168.0
135.03619384765625	164.0
137.07913208007812	176.0
137.11004638671875	380.0
138.08998107910156	252.0
139.0623016357422	180.0
139.09140014648438	304.0
139.61676025390625	156.0
140.06393432617188	156.0
141.06207275390625	148.0
141.3222198486328	148.0
142.06546020507812	136.0
143.07284545898438	440.0
144.08016967773438	468.0
144.35740661621094	192.0
144.90313720703125	144.0
145.08238220214844	200.0
145.5843505859375	208.0
146.0548858642578	148.0
146.09815979003906	312.0
146.59576416015625	416.0
147.07870483398438	180.0
147.1038055419922	168.0
147.59962463378906	296.0
148.07383728027344	616.0
148.09814453125	304.0
148.19430541992188	160.0
149.07754516601562	148.0
149.10804748535156	2492.0
150.1104736328125	164.0
151.58367919921875	144.0
152.5935821533203	4024.0
152.77200317382812	160.0
153.00086975097656	172.0
153.09710693359375	1376.0
153.21066284179688	212.0
153.60015869140625	428.0
154.07150268554688	192.0
154.0926971435547	288.0
154.95191955566406	160.0
155.54461669921875	172.0
156.0810089111328	1444.0
156.23544311523438	216.0
157.0858612060547	444.0
158.05789184570312	320.0
158.09571838378906	456.0
159.06520080566406	116.0
159.09193420410156	168.0
160.0731964111328	428.0
160.10586547851562	192.0
160.92718505859375	200.0
160.98020935058594	144.0
161.08462524414062	320.0
161.1111602783203	132.0
161.59996032714844	192.0
162.1053466796875	220.0
162.60670471191406	320.0
162.97039794921875	184.0
163.12295532226562	1160.0
165.061279296875	168.0
165.08685302734375	144.0
167.07833862304688	148.0
169.0857391357422	172.0
169.59642028808594	148.0
170.08200073242188	236.0
171.10476684570312	144.0
172.04531860351562	316.0
172.58090209960938	180.0
173.08851623535156	220.0
173.10946655273438	188.0
174.08932495117188	292.0
175.09744262695312	140.0
175.12115478515625	532.0
176.9776153564453	148.0
178.9583282470703	288.0
178.97962951660156	168.0
179.08615112304688	156.0
179.57923889160156	168.0
180.0810089111328	400.0
182.09170532226562	216.0
182.95822143554688	144.0
183.09109497070312	156.0
183.11170959472656	164.0
184.04605102539062	480.0
184.0987548828125	392.0
185.1068572998047	448.0
186.04150390625	140.0
186.07809448242188	216.0
186.11221313476562	328.0
187.09890747070312	188.0
188.10971069335938	484.0
188.9807586669922	140.0
189.1354217529297	192.0
190.98333740234375	172.0
191.586181640625	236.0
192.08236694335938	156.0
192.59165954589844	3880.0
193.0908966064453	564.0
193.59156799316406	500.0
194.88958740234375	156.0
197.1031036376953	404.0
198.02552795410156	312.0
198.1172637939453	512.0
199.1198272705078	528.0
200.04266357421875	152.0
200.10873413085938	160.0
200.13125610351562	256.0
200.58843994140625	524.0
200.9739990234375	144.0
201.06661987304688	132.0
201.0860137939453	352.0
201.11158752441406	180.0
201.13983154296875	264.0
201.18002319335938	152.0
201.55331420898438	236.0
201.59637451171875	15020.0
201.87754821777344	372.0
202.09844970703125	2468.0
202.14674377441406	272.0
202.5955352783203	1236.0
203.09512329101562	280.0
203.59246826171875	168.0
203.87254333496094	104.0
204.12823486328125	512.0
204.16238403320312	148.0
213.1389617919922	176.0
216.12481689453125	264.0
217.13551330566406	928.0
218.13739013671875	152.0
222.04800415039062	124.0
223.61717224121094	156.0
231.15029907226562	384.0
232.1542205810547	148.0
238.08596801757812	296.0
240.06564331054688	164.0
248.0737762451172	264.0
249.08401489257812	188.0
252.0655059814453	212.0
265.09967041015625	248.0
266.08062744140625	416.0
267.0912780761719	128.0
271.1226501464844	104.0
272.1153869628906	160.0
283.1098327636719	1336.0
283.14886474609375	100.0
284.08941650390625	180.0
284.11944580078125	368.0
285.1369934082031	188.0
295.1123962402344	604.0
296.1219787597656	240.0
299.11419677734375	132.0
300.1180725097656	400.0
315.1430969238281	168.0
324.2093200683594	128.0
343.1275634765625	176.0
1251.3494873046875	164.0
1485.413330078125	152.0
1619.182861328125	156.0
1639.298828125	200.0
1647.8597412109375	176.0
1719.9971923828125	148.0
1765.1182861328125	164.0
1800.4295654296875	212.0
1838.7183837890625	160.0
1858.2711181640625	216.0
1863.1390380859375	176.0
1894.8702392578125	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079046
PEPMASS=264.200378
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Tramadol [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cccc(c1)[C@@]2(O)CCCC[C@@H]2CN(C)C
INCHI=InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
INCHIAUX=TVYLLZQTGLZFBW-ZBFHGGJFSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079046
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079046
SCANS=1050
56.7752685546875	168.0
58.08293533325195	264.0
60.317108154296875	148.0
63.33729553222656	144.0
63.714839935302734	148.0
66.00691986083984	156.0
71.08293914794922	156.0
75.69448852539062	160.0
80.79407501220703	204.0
87.18540954589844	188.0
88.67357635498047	156.0
93.0769271850586	172.0
94.97789001464844	156.0
97.65579223632812	208.0
98.44410705566406	204.0
99.73784637451172	188.0
104.57752990722656	168.0
106.1588134765625	192.0
106.22239685058594	144.0
108.10553741455078	200.0
108.82064819335938	144.0
116.46631622314453	220.0
117.83423614501953	144.0
117.91851043701172	168.0
121.06369018554688	292.0
122.02547454833984	200.0
122.87560272216797	144.0
123.01683807373047	220.0
125.38127136230469	224.0
127.12785339355469	192.0
127.7187271118164	208.0
129.8077850341797	180.0
133.07069396972656	180.0
133.10284423828125	184.0
133.33946228027344	196.0
133.7810821533203	184.0
134.44720458984375	192.0
135.0802764892578	152.0
135.77975463867188	204.0
136.96278381347656	148.0
142.08763122558594	152.0
143.24534606933594	160.0
144.05545043945312	272.0
144.25234985351562	220.0
146.4093475341797	140.0
147.08108520507812	280.0
148.96835327148438	184.0
150.01962280273438	140.0
150.0537567138672	140.0
153.1262969970703	140.0
156.1410675048828	148.0
156.42471313476562	192.0
158.1370086669922	216.0
158.53770446777344	144.0
159.08274841308594	260.0
161.0863494873047	196.0
161.8578338623047	144.0
167.4609375	172.0
167.69024658203125	156.0
172.07420349121094	192.0
172.09410095214844	200.0
173.09408569335938	152.0
178.40513610839844	216.0
183.637451171875	152.0
185.4977264404297	172.0
189.11776733398438	148.0
192.2701873779297	192.0
194.134765625	224.0
200.1117401123047	160.0
201.1243896484375	152.0
207.7914581298828	152.0
214.7924041748047	160.0
218.1599578857422	148.0
221.47964477539062	156.0
241.28382873535156	216.0
243.514892578125	176.0
243.68263244628906	144.0
244.15821838378906	168.0
245.55381774902344	152.0
246.1857452392578	4452.0
247.18922424316406	684.0
251.1142120361328	156.0
251.14260864257812	160.0
253.9988250732422	140.0
254.60821533203125	180.0
255.4822998046875	168.0
261.1880798339844	148.0
262.1748352050781	184.0
262.8773498535156	164.0
263.1374206542969	132.0
263.16583251953125	336.0
263.3962097167969	180.0
263.5198974609375	152.0
263.56036376953125	136.0
263.7242431640625	136.0
263.8772277832031	200.0
264.1350402832031	152.0
264.1589050292969	152.0
264.1969299316406	83600.0
264.279541015625	108.0
264.38287353515625	152.0
264.4443664550781	268.0
264.4847412109375	200.0
264.5592041015625	304.0
264.6274719238281	268.0
264.72674560546875	188.0
264.96429443359375	132.0
265.01727294921875	108.0
265.1572570800781	188.0
265.1995849609375	10556.0
265.52264404296875	148.0
265.68817138671875	112.0
265.731201171875	156.0
266.2027587890625	1184.0
266.58087158203125	160.0
266.8061828613281	160.0
266.85784912109375	252.0
267.0450439453125	144.0
267.20538330078125	420.0
267.2702941894531	144.0
268.147705078125	132.0
328.1575927734375	148.0
355.14691162109375	152.0
1816.903076171875	140.0
1837.3890380859375	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079047
PEPMASS=361.206116
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@]1(O)C(=O)CO
INCHI=InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
INCHIAUX=MFYSYFVPBJMHGN-ZPOLXVRWSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079047
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079047
SCANS=1158
47.438838958740234	144.0
48.81541442871094	180.0
49.06743621826172	164.0
50.964778900146484	164.0
55.102088928222656	192.0
55.50616455078125	160.0
61.835140228271484	140.0
65.01615142822266	156.0
67.03114318847656	144.0
67.50943756103516	148.0
68.07972717285156	140.0
69.96470642089844	192.0
71.3987045288086	164.0
74.08231353759766	196.0
77.7357177734375	156.0
78.76919555664062	164.0
79.62113952636719	196.0
82.83907318115234	144.0
85.2603530883789	164.0
88.17005920410156	176.0
88.58543395996094	180.0
91.0530776977539	268.0
91.33009338378906	168.0
91.81385040283203	152.0
92.05786895751953	148.0
92.09059143066406	228.0
92.3180160522461	156.0
93.0738296508789	420.0
93.79444122314453	228.0
94.14558410644531	224.0
95.0515365600586	168.0
95.08840942382812	192.0
95.68321990966797	212.0
97.06660461425781	172.0
97.36287689208984	176.0
98.19339752197266	152.0
99.03338623046875	216.0
102.24014282226562	188.0
104.2784652709961	140.0
105.06855010986328	360.0
105.08893585205078	188.0
106.07261657714844	144.0
107.04851531982422	156.0
107.08336639404297	280.0
108.05165100097656	152.0
109.06290435791016	188.0
111.04955291748047	192.0
112.36396789550781	144.0
115.05380249023438	220.0
115.76705169677734	204.0
116.30947875976562	188.0
117.06834411621094	240.0
119.08605194091797	736.0
120.37109375	164.0
120.81477355957031	164.0
121.0035171508789	200.0
121.06625366210938	2040.0
121.10108184814453	312.0
121.37765502929688	144.0
122.0687484741211	176.0
122.10013580322266	168.0
122.8424072265625	148.0
123.03660583496094	156.0
123.07862091064453	168.0
123.44314575195312	160.0
125.0560073852539	188.0
126.46437072753906	216.0
128.06675720214844	408.0
129.06781005859375	188.0
130.08059692382812	380.0
131.08555603027344	552.0
132.00741577148438	148.0
132.84568786621094	200.0
133.06719970703125	488.0
133.1012420654297	624.0
133.52096557617188	172.0
134.10516357421875	124.0
134.86512756347656	144.0
135.0807647705078	716.0
135.11695861816406	704.0
135.17733764648438	140.0
135.44281005859375	108.0
136.08827209472656	148.0
136.1184539794922	208.0
136.26478576660156	172.0
137.0617218017578	132.0
137.09432983398438	360.0
137.16305541992188	156.0
139.07298278808594	464.0
139.2384033203125	144.0
139.72027587890625	148.0
139.79556274414062	240.0
140.0821990966797	148.0
140.25717163085938	140.0
141.06683349609375	212.0
141.0857391357422	212.0
142.08750915527344	180.0
143.08587646484375	760.0
143.11900329589844	144.0
143.16514587402344	128.0
143.4811553955078	176.0
144.0885467529297	488.0
144.98463439941406	148.0
145.063720703125	392.0
145.1014404296875	1140.0
145.56756591796875	140.0
146.0698699951172	148.0
146.10595703125	296.0
146.1457977294922	100.0
146.73452758789062	160.0
146.86956787109375	200.0
147.08071899414062	312.0
147.1165313720703	436.0
148.08522033691406	312.0
149.09312438964844	280.0
150.05606079101562	152.0
151.07431030273438	200.0
151.11114501953125	140.0
151.1747589111328	164.0
151.7577362060547	220.0
152.10609436035156	196.0
153.0723114013672	192.0
153.09194946289062	160.0
153.2200927734375	180.0
153.32850646972656	172.0
154.07823181152344	148.0
154.3925323486328	152.0
155.0873565673828	312.0
156.0907745361328	140.0
156.16830444335938	180.0
157.06747436523438	208.0
157.1012725830078	816.0
157.57923889160156	160.0
157.76666259765625	236.0
158.10328674316406	164.0
158.9739227294922	216.0
159.0799102783203	772.0
159.1148681640625	304.0
159.8584747314453	176.0
160.0371856689453	180.0
160.0648956298828	208.0
160.08389282226562	144.0
160.12515258789062	116.0
161.05734252929688	152.0
161.09588623046875	344.0
161.1292266845703	180.0
161.3794708251953	148.0
162.10142517089844	204.0
163.03038024902344	204.0
163.0601348876953	188.0
163.07984924316406	332.0
163.1123809814453	8464.0
164.115478515625	1700.0
164.32826232910156	148.0
165.0905303955078	316.0
165.11500549316406	368.0
166.07289123535156	180.0
167.08651733398438	316.0
167.83189392089844	188.0
168.09715270996094	292.0
169.10194396972656	228.0
169.47317504882812	208.0
170.08779907226562	144.0
170.47996520996094	152.0
171.0815887451172	232.0
171.11595153808594	628.0
173.0597381591797	164.0
173.0977020263672	576.0
173.1369171142578	204.0
174.1008758544922	176.0
174.13140869140625	160.0
174.205810546875	156.0
174.6619873046875	180.0
175.07913208007812	176.0
175.11227416992188	604.0
176.12339782714844	164.0
176.37448120117188	156.0
177.0915069580078	312.0
177.1153564453125	156.0
178.9903106689453	148.0
179.0756378173828	180.0
179.10606384277344	172.0
179.14744567871094	208.0
179.29666137695312	148.0
179.31797790527344	164.0
180.0831756591797	160.0
180.62095642089844	168.0
181.05870056152344	172.0
181.1005401611328	584.0
182.1096649169922	288.0
183.08363342285156	200.0
183.1185302734375	408.0
184.0852813720703	152.0
184.11886596679688	136.0
184.69337463378906	140.0
185.09652709960938	260.0
185.13331604003906	264.0
186.0986328125	268.0
186.13589477539062	172.0
186.62423706054688	144.0
187.07504272460938	320.0
187.109619140625	428.0
187.14283752441406	160.0
187.56344604492188	180.0
188.11964416503906	168.0
188.2837371826172	184.0
189.08876037597656	548.0
189.1249542236328	488.0
190.0983123779297	180.0
190.12892150878906	308.0
191.1102294921875	364.0
192.0895233154297	124.0
193.3695526123047	132.0
193.65118408203125	148.0
194.10394287109375	200.0
195.09799194335938	156.0
195.11656188964844	272.0
195.39840698242188	228.0
196.11447143554688	164.0
197.09646606445312	284.0
197.1305694580078	928.0
198.13629150390625	288.0
198.5945587158203	124.0
199.11398315429688	532.0
199.14520263671875	284.0
199.26220703125	200.0
200.11886596679688	160.0
200.14520263671875	132.0
201.12911987304688	368.0
201.1687774658203	156.0
202.16366577148438	168.0
203.13880920410156	140.0
205.1028289794922	164.0
206.13059997558594	152.0
206.55087280273438	140.0
207.1107940673828	128.0
208.12733459472656	160.0
209.09173583984375	160.0
209.13143920898438	592.0
209.5882568359375	164.0
210.05636596679688	284.0
210.10308837890625	256.0
210.7106170654297	156.0
211.08058166503906	152.0
211.11497497558594	556.0
213.12986755371094	400.0
213.83071899414062	196.0
214.1292724609375	264.0
215.1114959716797	168.0
215.14186096191406	276.0
216.10977172851562	184.0
216.143310546875	120.0
217.1135711669922	176.0
217.124755859375	120.0
217.6074676513672	164.0
217.9305419921875	156.0
218.1039276123047	176.0
218.2126922607422	164.0
219.10313415527344	328.0
219.11590576171875	184.0
219.1234130859375	308.0
219.32249450683594	148.0
220.12432861328125	164.0
221.10877990722656	120.0
221.13404846191406	748.0
222.0924835205078	180.0
222.14134216308594	356.0
222.23837280273438	140.0
223.11187744140625	332.0
223.1460418701172	332.0
224.1172332763672	448.0
224.15850830078125	124.0
224.2233123779297	172.0
225.12786865234375	620.0
225.15460205078125	144.0
226.13119506835938	176.0
226.15963745117188	160.0
226.6183319091797	172.0
227.10047912597656	120.0
227.14222717285156	300.0
227.1819610595703	200.0
227.32298278808594	188.0
228.14578247070312	160.0
229.1259307861328	280.0
229.37110900878906	148.0
230.60560607910156	188.0
231.11988830566406	124.0
232.12193298339844	164.0
233.0450439453125	156.0
233.13340759277344	196.0
234.10968017578125	172.0
235.14620971679688	416.0
236.1136474609375	176.0
236.15444946289062	140.0
237.126953125	500.0
237.1611328125	500.0
237.72607421875	144.0
238.13487243652344	184.0
238.1670379638672	164.0
239.1122283935547	160.0
239.14210510253906	896.0
239.1858367919922	236.0
239.7865447998047	156.0
239.99615478515625	140.0
240.1484375	340.0
240.40333557128906	176.0
241.12171936035156	164.0
241.15797424316406	828.0
242.16299438476562	304.0
243.14132690429688	448.0
243.17031860351562	252.0
243.65757751464844	144.0
244.14743041992188	312.0
244.17666625976562	148.0
245.13165283203125	152.0
245.73104858398438	176.0
247.10980224609375	148.0
247.1397705078125	328.0
248.1435546875	148.0
249.12135314941406	168.0
249.16184997558594	176.0
250.13653564453125	172.0
250.17501831054688	200.0
250.71676635742188	232.0
250.92166137695312	228.0
251.1439666748047	336.0
251.17642211914062	164.0
251.49893188476562	180.0
253.12074279785156	244.0
253.15640258789062	400.0
254.04937744140625	140.0
254.12867736816406	168.0
255.14097595214844	280.0
255.17515563964844	448.0
256.1378479003906	156.0
256.18212890625	680.0
256.230224609375	228.0
257.1561584472656	232.0
257.19561767578125	232.0
258.1622009277344	1048.0
259.10369873046875	144.0
259.16387939453125	368.0
260.1510009765625	140.0
261.1734313964844	152.0
263.1275939941406	220.0
264.1421813964844	156.0
264.1726989746094	180.0
265.0662841796875	144.0
265.15985107421875	660.0
266.1634826660156	348.0
266.5426940917969	260.0
267.1416320800781	408.0
267.1756591796875	812.0
268.17913818359375	132.0
269.1522216796875	688.0
269.1877136230469	332.0
270.1567077636719	176.0
270.24346923828125	168.0
270.9015197753906	196.0
271.1371765136719	152.0
272.15106201171875	172.0
272.1773986816406	160.0
277.1182556152344	208.0
277.14788818359375	160.0
277.5815124511719	216.0
278.1737365722656	168.0
279.1775207519531	408.0
280.17919921875	380.0
281.14666748046875	276.0
281.1960754394531	128.0
282.15380859375	144.0
283.17138671875	1356.0
284.1739501953125	780.0
284.6600341796875	156.0
285.1477355957031	320.0
285.1817626953125	640.0
285.56402587890625	192.0
286.1873474121094	176.0
287.1672058105469	212.0
289.1576843261719	220.0
291.1642150878906	164.0
292.12884521484375	200.0
293.7748718261719	200.0
294.63641357421875	152.0
295.1661071777344	448.0
296.1759033203125	160.0
297.18475341796875	404.0
299.1651611328125	540.0
300.17535400390625	564.0
300.7855224609375	144.0
301.1798400878906	1220.0
302.1921081542969	308.0
303.05413818359375	184.0
303.15594482421875	156.0
307.1690979003906	180.0
308.1768493652344	256.0
309.1653137207031	172.0
309.9146728515625	196.0
311.8517761230469	200.0
313.1822814941406	1228.0
314.1824645996094	456.0
315.1947021484375	328.0
316.1961975097656	132.0
317.0362548828125	272.0
317.1800231933594	432.0
317.9512023925781	152.0
319.1234130859375	140.0
319.9737243652344	176.0
320.9250183105469	140.0
320.9927673339844	184.0
322.26702880859375	140.0
323.1603088378906	180.0
324.23779296875	188.0
325.1797790527344	1596.0
325.4332275390625	164.0
326.1842041015625	464.0
327.1517028808594	140.0
327.1918029785156	140.0
327.8216247558594	188.0
331.191650390625	376.0
335.5531005859375	160.0
337.07513427734375	156.0
338.9852600097656	184.0
339.9166564941406	168.0
340.11114501953125	148.0
340.9889831542969	200.0
343.1907653808594	2520.0
343.26019287109375	192.0
343.3119812011719	216.0
344.1459045410156	196.0
344.19049072265625	560.0
344.32318115234375	196.0
345.2051086425781	172.0
345.9019470214844	156.0
350.4252014160156	204.0
351.12225341796875	164.0
351.2043151855469	164.0
357.1109619140625	152.0
358.1422424316406	160.0
358.3079833984375	140.0
358.78131103515625	112.0
358.9659423828125	120.0
359.1782531738281	140.0
359.2391357421875	128.0
359.2779846191406	160.0
359.6463623046875	96.0
359.9939880371094	188.0
360.087158203125	120.0
360.167724609375	176.0
360.3282165527344	124.0
360.46240234375	156.0
360.6324768066406	144.0
360.6617126464844	148.0
360.71185302734375	168.0
360.7976989746094	164.0
360.8667297363281	280.0
360.9271545410156	172.0
361.00958251953125	112.0
361.0784912109375	236.0
361.123046875	144.0
361.2033996582031	119184.0
361.3519287109375	184.0
361.47869873046875	96.0
361.5299072265625	152.0
361.6133117675781	112.0
361.6967468261719	232.0
361.8268127441406	844.0
361.8876647949219	132.0
361.92041015625	108.0
361.9656677246094	136.0
362.0047912597656	156.0
362.0576477050781	356.0
362.1185607910156	136.0
362.2052917480469	25624.0
362.406494140625	96.0
362.5672912597656	116.0
362.64495849609375	144.0
362.73870849609375	128.0
363.02313232421875	144.0
363.207275390625	3260.0
363.2903137207031	244.0
363.9094543457031	144.0
363.9927673339844	164.0
364.0461730957031	124.0
364.1007995605469	116.0
364.2063903808594	776.0
364.3310241699219	196.0
364.4167175292969	196.0
364.4593200683594	116.0
364.5309143066406	136.0
364.5732421875	176.0
364.7064208984375	104.0
364.74127197265625	216.0
364.8145751953125	172.0
364.8797302246094	128.0
365.1719970703125	132.0
365.24041748046875	164.0
365.62530517578125	132.0
366.15753173828125	108.0
374.8625793457031	124.0
375.785888671875	156.0
379.2042541503906	424.0
384.14630126953125	172.0
390.1928405761719	144.0
398.0636291503906	152.0
402.21710205078125	268.0
402.2439880371094	328.0
403.2265625	144.0
404.2325744628906	176.0
544.0258178710938	152.0
1100.7100830078125	200.0
1376.7938232421875	140.0
1431.1641845703125	208.0
1519.279052734375	172.0
1542.3834228515625	176.0
1634.32275390625	188.0
1783.94921875	140.0
1816.1719970703125	144.0
1816.8165283203125	164.0
1823.456787109375	164.0
1873.436767578125	172.0
1883.9095458984375	176.0
1931.5203857421875	208.0
1932.404052734375	148.0
1982.2501220703125	164.0
1983.614990234375	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079048
PEPMASS=406.2005
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TOREMIFENE CITRATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3
INCHI=InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-
INCHIAUX=XFCLJVABOIYOMF-QPLCGJKRSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079048
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079048
SCANS=1719
45.583457946777344	172.0
47.121395111083984	140.0
51.10702896118164	136.0
51.249412536621094	140.0
52.24733352661133	184.0
55.62343978881836	244.0
64.13975524902344	140.0
69.005859375	164.0
70.55203247070312	140.0
73.24707794189453	164.0
73.83934783935547	220.0
73.90606689453125	140.0
73.94134521484375	156.0
76.61005401611328	152.0
76.71961212158203	152.0
77.26799011230469	176.0
77.74459075927734	144.0
78.01507568359375	176.0
78.52571868896484	156.0
79.94300842285156	156.0
81.56340789794922	140.0
83.85489654541016	192.0
89.3552474975586	144.0
89.43428802490234	192.0
91.0559310913086	260.0
92.76423645019531	140.0
92.91574096679688	168.0
93.33059692382812	160.0
94.71044921875	176.0
97.77978515625	188.0
97.85655975341797	160.0
101.37845611572266	156.0
101.7856674194336	192.0
102.0428466796875	140.0
103.05058288574219	532.0
104.32099914550781	116.0
104.97484588623047	172.0
105.07205200195312	164.0
107.04794311523438	496.0
108.68606567382812	148.0
110.01361846923828	164.0
113.36847686767578	224.0
114.55831146240234	176.0
114.74320220947266	140.0
115.05030822753906	416.0
115.06586456298828	232.0
116.02217102050781	152.0
117.06878662109375	300.0
117.62265014648438	144.0
118.47032165527344	156.0
119.32120513916016	108.0
119.44064331054688	188.0
120.03520202636719	164.0
121.8365249633789	164.0
122.26969146728516	152.0
125.01081085205078	132.0
126.64141082763672	144.0
126.72205352783203	180.0
126.9215316772461	152.0
127.05686950683594	152.0
127.14585876464844	180.0
128.0616912841797	392.0
129.0221710205078	160.0
129.0579071044922	164.0
131.0482177734375	160.0
131.55747985839844	180.0
133.066162109375	140.0
133.1809844970703	152.0
133.39697265625	192.0
133.71209716796875	168.0
137.028076171875	180.0
137.52243041992188	168.0
137.73257446289062	160.0
138.2305450439453	180.0
139.02964782714844	364.0
139.1775360107422	204.0
139.6216583251953	168.0
141.07240295410156	184.0
142.11614990234375	144.0
142.32156372070312	104.0
145.06455993652344	352.0
146.0075225830078	160.0
146.21200561523438	152.0
146.74917602539062	176.0
148.2405548095703	192.0
149.3062744140625	144.0
149.8710174560547	156.0
150.30992126464844	160.0
151.42710876464844	156.0
151.52999877929688	152.0
151.83639526367188	176.0
152.0032196044922	180.0
152.6615447998047	172.0
153.0435791015625	180.0
153.7726287841797	192.0
153.81951904296875	164.0
154.03189086914062	160.0
154.07882690429688	168.0
154.59559631347656	176.0
155.06411743164062	128.0
155.08595275878906	160.0
155.353759765625	176.0
156.85821533203125	144.0
157.18992614746094	140.0
158.31983947753906	168.0
159.6448516845703	148.0
160.12301635742188	144.0
162.10614013671875	172.0
163.03131103515625	1884.0
163.5996551513672	136.0
164.03208923339844	188.0
164.07188415527344	172.0
164.1027069091797	140.0
164.5428466796875	144.0
165.0297393798828	108.0
165.0722198486328	152.0
165.26358032226562	152.0
166.07859802246094	140.0
167.08619689941406	616.0
167.17782592773438	160.0
168.0668182373047	176.0
168.08921813964844	180.0
168.35076904296875	148.0
169.06153869628906	156.0
171.0888214111328	212.0
173.17518615722656	172.0
173.50010681152344	168.0
175.00027465820312	156.0
176.6576385498047	212.0
176.8772735595703	156.0
176.9699249267578	164.0
177.2692413330078	276.0
178.07949829101562	620.0
178.3759765625	168.0
178.60997009277344	152.0
179.0886993408203	284.0
179.3795166015625	196.0
180.87538146972656	188.0
181.06373596191406	204.0
181.10690307617188	196.0
181.16458129882812	144.0
181.86175537109375	152.0
182.0819091796875	172.0
183.68405151367188	144.0
184.13722229003906	136.0
185.58456420898438	156.0
186.5619354248047	168.0
186.74412536621094	184.0
188.9481964111328	148.0
188.9974365234375	168.0
189.04669189453125	160.0
189.63824462890625	172.0
190.07728576660156	740.0
190.1435546875	132.0
190.34603881835938	148.0
190.76364135742188	176.0
191.08470153808594	1080.0
191.2174835205078	168.0
192.08984375	604.0
192.47454833984375	144.0
192.58685302734375	96.0
193.06866455078125	212.0
193.100830078125	452.0
193.18482971191406	212.0
193.21803283691406	188.0
193.30104064941406	152.0
193.4145050048828	164.0
193.84654235839844	144.0
194.07334899902344	304.0
194.1082763671875	204.0
194.75929260253906	156.0
194.90097045898438	196.0
195.085693359375	140.0
195.14834594726562	152.0
195.89976501464844	144.0
197.1050262451172	176.0
198.00299072265625	172.0
199.0405731201172	148.0
200.62347412109375	164.0
200.7655487060547	164.0
202.07955932617188	388.0
202.4158477783203	224.0
202.588623046875	164.0
203.08544921875	1140.0
203.65516662597656	184.0
203.8881378173828	196.0
204.0165252685547	164.0
204.0940704345703	1852.0
204.74160766601562	212.0
204.8982696533203	148.0
205.0471954345703	212.0
205.10134887695312	4912.0
205.85092163085938	144.0
206.0365753173828	140.0
206.1050262451172	1120.0
206.61631774902344	152.0
206.7526092529297	124.0
207.0809326171875	1048.0
208.08494567871094	320.0
208.14170837402344	184.0
208.91856384277344	112.0
209.0999298095703	284.0
210.1017303466797	148.0
212.2796630859375	184.0
212.4246826171875	140.0
212.62872314453125	160.0
213.64186096191406	140.0
215.08303833007812	700.0
215.62461853027344	144.0
216.09112548828125	528.0
216.47438049316406	112.0
217.0385284423828	208.0
217.09951782226562	476.0
217.64883422851562	144.0
218.11302185058594	208.0
218.24716186523438	196.0
218.40411376953125	160.0
218.82786560058594	148.0
218.98687744140625	144.0
219.0804443359375	552.0
219.11508178710938	472.0
219.29339599609375	116.0
219.66482543945312	144.0
220.0868682861328	456.0
220.1370391845703	188.0
220.89956665039062	144.0
221.09725952148438	620.0
221.13851928710938	164.0
222.09922790527344	148.0
222.23866271972656	200.0
222.27520751953125	212.0
223.02561950683594	140.0
223.20101928710938	176.0
223.581787109375	144.0
223.74847412109375	148.0
226.56768798828125	152.0
227.0322723388672	176.0
227.0652618408203	148.0
227.0862579345703	144.0
227.48533630371094	160.0
227.6654815673828	148.0
227.8306884765625	148.0
228.0529327392578	112.0
228.09251403808594	476.0
228.14923095703125	168.0
228.53720092773438	164.0
229.0985870361328	408.0
229.58546447753906	216.0
230.10435485839844	244.0
230.3376922607422	144.0
230.45480346679688	152.0
230.58172607421875	152.0
230.9475555419922	164.0
231.08145141601562	184.0
231.4044952392578	172.0
231.6195068359375	168.0
232.08718872070312	452.0
232.2135772705078	164.0
232.73553466796875	192.0
233.09710693359375	304.0
233.1729736328125	196.0
234.0703887939453	164.0
234.1027069091797	220.0
235.10781860351562	276.0
235.65951538085938	200.0
236.0964813232422	160.0
237.78775024414062	164.0
238.08554077148438	152.0
238.4910888671875	184.0
238.84161376953125	152.0
239.06126403808594	324.0
239.08387756347656	108.0
240.09512329101562	616.0
240.363525390625	176.0
241.10057067871094	892.0
241.2901153564453	180.0
242.1060333251953	796.0
242.36099243164062	140.0
243.0059051513672	224.0
243.1125946044922	444.0
243.20761108398438	156.0
243.60816955566406	180.0
243.8691864013672	144.0
244.1085662841797	168.0
244.26406860351562	156.0
245.12957763671875	204.0
245.8803253173828	108.0
247.11264038085938	764.0
247.25311279296875	144.0
247.43572998046875	152.0
247.46910095214844	140.0
248.11605834960938	280.0
248.24618530273438	192.0
249.11419677734375	148.0
251.26889038085938	172.0
252.09103393554688	448.0
252.35850524902344	148.0
252.42491149902344	160.0
252.7285614013672	164.0
253.1022186279297	1856.0
253.94700622558594	216.0
254.1083221435547	1776.0
254.7380828857422	108.0
255.07537841796875	336.0
255.11505126953125	700.0
255.19618225097656	204.0
256.0870666503906	168.0
256.1171875	416.0
256.3981018066406	220.0
256.48028564453125	184.0
256.6576232910156	172.0
257.0954284667969	120.0
258.0912780761719	196.0
258.54193115234375	100.0
260.5848693847656	148.0
261.4659423828125	172.0
262.5511779785156	140.0
262.5741882324219	168.0
264.38336181640625	184.0
264.8819580078125	200.0
265.0998840332031	644.0
266.10931396484375	240.0
266.6827697753906	188.0
267.1161804199219	708.0
267.7564392089844	264.0
267.9388427734375	152.0
268.0975036621094	256.0
268.12060546875	152.0
268.6096496582031	140.0
268.6690979003906	156.0
269.0985107421875	508.0
269.1323547363281	904.0
270.1044921875	1108.0
270.5383605957031	152.0
270.9444580078125	148.0
271.1016540527344	440.0
271.1393127441406	116.0
272.0651550292969	152.0
272.11016845703125	136.0
272.4042663574219	212.0
273.34783935546875	144.0
273.5979919433594	172.0
273.7066345214844	152.0
274.2403259277344	140.0
275.3587951660156	156.0
275.517333984375	144.0
275.6759338378906	188.0
276.281005859375	140.0
276.3372497558594	188.0
277.0962829589844	120.0
277.97076416015625	172.0
278.0138854980469	192.0
278.4720458984375	144.0
279.0718078613281	116.0
279.1177062988281	404.0
279.74554443359375	196.0
280.12384033203125	428.0
281.0935974121094	608.0
281.1318054199219	856.0
282.0404968261719	184.0
282.1004943847656	540.0
282.3681640625	144.0
282.75958251953125	172.0
283.112548828125	1584.0
283.5935363769531	248.0
283.97576904296875	204.0
284.1180114746094	408.0
284.15509033203125	220.0
285.0908508300781	196.0
285.12615966796875	1296.0
285.2046203613281	160.0
286.0058898925781	112.0
286.13372802734375	296.0
286.59112548828125	156.0
287.1328125	144.0
287.51507568359375	176.0
287.6163330078125	164.0
287.90667724609375	160.0
288.26812744140625	328.0
288.48443603515625	180.0
288.7820129394531	248.0
289.47576904296875	160.0
289.6383361816406	140.0
290.255126953125	156.0
290.6187744140625	184.0
291.0861511230469	176.0
291.12005615234375	140.0
291.97003173828125	196.0
292.1329650878906	236.0
292.1811218261719	128.0
293.12872314453125	388.0
294.4395751953125	176.0
295.1107177734375	104.0
295.5919494628906	120.0
296.1186828613281	292.0
296.5826110839844	164.0
297.1246032714844	856.0
297.27880859375	140.0
297.7319641113281	140.0
297.84698486328125	112.0
298.1343688964844	708.0
299.00103759765625	136.0
299.1419372558594	172.0
299.8822021484375	160.0
300.316650390625	160.0
300.4994812011719	192.0
300.8376770019531	188.0
301.0379333496094	156.0
303.0907287597656	116.0
303.5710144042969	200.0
303.8762512207031	152.0
304.9840087890625	144.0
305.10711669921875	148.0
307.1482849121094	224.0
308.55010986328125	168.0
308.9347839355469	152.0
310.1385498046875	176.0
310.5250244140625	144.0
310.62322998046875	144.0
310.9283142089844	156.0
311.0723876953125	152.0
311.1380310058594	160.0
311.2734069824219	140.0
311.5780944824219	140.0
311.8662414550781	168.0
312.0587463378906	128.0
312.1626892089844	136.0
312.72442626953125	176.0
313.97161865234375	160.0
314.5656433105469	208.0
315.08856201171875	224.0
315.1329345703125	140.0
315.6878967285156	140.0
316.15130615234375	152.0
316.9303283691406	160.0
317.18194580078125	176.0
317.2386779785156	140.0
317.3555603027344	156.0
317.7315979003906	160.0
317.84869384765625	220.0
317.9267578125	180.0
318.63690185546875	184.0
318.76483154296875	164.0
319.0941162109375	288.0
319.61822509765625	224.0
320.5190734863281	288.0
320.57965087890625	140.0
320.68658447265625	164.0
320.84698486328125	196.0
321.46759033203125	172.0
322.1316833496094	168.0
323.89874267578125	160.0
323.97686767578125	148.0
324.19610595703125	184.0
324.3036193847656	188.0
324.9128723144531	200.0
325.1626892089844	220.0
325.261962890625	152.0
325.8538513183594	192.0
325.9939880371094	144.0
326.15521240234375	120.0
328.76324462890625	184.0
330.4723815917969	144.0
331.20367431640625	140.0
331.50799560546875	172.0
332.0445251464844	204.0
332.47955322265625	132.0
333.0932922363281	216.0
333.5040588378906	156.0
333.9549255371094	168.0
334.11358642578125	580.0
334.1513366699219	160.0
334.19500732421875	168.0
334.9704284667969	188.0
335.0999755859375	140.0
335.152587890625	152.0
335.5389404296875	160.0
336.45159912109375	116.0
337.27288818359375	152.0
337.942138671875	152.0
338.46282958984375	216.0
339.1615905761719	184.0
340.68878173828125	128.0
341.0576171875	192.0
341.1106262207031	144.0
341.5887451171875	168.0
341.9603576660156	144.0
342.5679016113281	164.0
343.1214904785156	148.0
343.5417785644531	128.0
343.5963439941406	140.0
344.8279724121094	100.0
345.1158447265625	132.0
347.4699401855469	176.0
348.1380615234375	144.0
348.2754821777344	156.0
348.8784484863281	164.0
349.104248046875	144.0
350.07177734375	212.0
350.80206298828125	140.0
351.5778503417969	144.0
351.6076965332031	228.0
352.2162780761719	192.0
353.13201904296875	152.0
353.3265380859375	144.0
353.37890625	160.0
355.47198486328125	196.0
355.5672607421875	148.0
356.4722900390625	140.0
356.5963134765625	208.0
356.6940612792969	140.0
356.84442138671875	188.0
357.3070068359375	192.0
357.7108459472656	176.0
358.2799072265625	132.0
359.21319580078125	188.0
360.2399597167969	128.0
360.8100891113281	120.0
361.0487976074219	156.0
361.1368103027344	1176.0
361.3741149902344	148.0
361.4800720214844	156.0
361.794189453125	148.0
362.0251770019531	148.0
362.1274108886719	272.0
362.1665954589844	176.0
364.05780029296875	268.0
364.138427734375	152.0
364.71124267578125	172.0
365.09906005859375	148.0
365.2131652832031	140.0
365.4147644042969	148.0
367.2203674316406	216.0
367.4950256347656	156.0
368.4456787109375	156.0
369.1179504394531	152.0
369.3401794433594	156.0
370.2126770019531	596.0
370.35064697265625	148.0
371.22216796875	220.0
371.519775390625	176.0
372.46026611328125	156.0
372.8909912109375	156.0
374.0868225097656	192.0
374.1969909667969	116.0
374.4410400390625	144.0
374.52813720703125	308.0
376.778564453125	152.0
376.93310546875	140.0
376.98333740234375	168.0
377.2500305175781	188.0
377.563232421875	148.0
378.1667785644531	172.0
378.7436828613281	232.0
378.9606018066406	172.0
379.6893615722656	156.0
379.82501220703125	136.0
380.02685546875	140.0
380.7876892089844	204.0
381.0829162597656	192.0
381.3359680175781	208.0
382.0042724609375	216.0
382.14434814453125	220.0
383.4657287597656	148.0
383.83087158203125	152.0
384.5486755371094	148.0
385.4064025878906	180.0
385.7408447265625	232.0
385.800537109375	188.0
386.800048828125	160.0
388.0418701171875	160.0
388.5493469238281	132.0
389.0069580078125	144.0
389.7963562011719	156.0
390.5315246582031	168.0
392.5557861328125	140.0
392.6228332519531	176.0
393.7054748535156	136.0
394.1827392578125	132.0
395.3803405761719	160.0
395.697021484375	204.0
395.7366027832031	140.0
395.8672790527344	164.0
396.63983154296875	216.0
396.9927062988281	152.0
397.2227478027344	140.0
398.0323486328125	160.0
398.86663818359375	160.0
399.1409606933594	140.0
399.37957763671875	164.0
400.0361328125	144.0
400.17547607421875	144.0
400.8326721191406	140.0
401.07977294921875	176.0
401.13427734375	136.0
401.2545471191406	100.0
401.4859313964844	128.0
401.6060791015625	152.0
402.0506591796875	148.0
402.2157287597656	120.0
402.3930969238281	112.0
402.4718017578125	120.0
402.5758972167969	140.0
402.6609191894531	136.0
402.8991394042969	132.0
403.0986022949219	108.0
403.1313171386719	216.0
403.20074462890625	156.0
403.2710266113281	156.0
403.3204650878906	164.0
403.3858337402344	244.0
403.4742431640625	168.0
403.5855712890625	156.0
403.6143798828125	252.0
403.64532470703125	100.0
403.6830749511719	132.0
403.77642822265625	184.0
403.8324279785156	132.0
403.866455078125	128.0
403.92474365234375	220.0
404.02764892578125	220.0
404.1239013671875	116.0
404.1728515625	240.0
404.257080078125	184.0
404.3459167480469	224.0
404.4040222167969	108.0
404.500244140625	96.0
404.5466003417969	148.0
404.7391052246094	132.0
404.7752380371094	164.0
404.80584716796875	152.0
404.8818664550781	304.0
404.9156799316406	116.0
404.9671630859375	272.0
405.11016845703125	136.0
405.1400451660156	204.0
405.1792907714844	252.0
405.20672607421875	236.0
405.25347900390625	128.0
405.37139892578125	172.0
405.403564453125	328.0
405.4678649902344	124.0
405.5497131347656	156.0
405.631591796875	260.0
405.66534423828125	356.0
405.73785400390625	212.0
405.79913330078125	216.0
405.8707580566406	192.0
405.9499816894531	536.0
406.0113220214844	232.0
406.0752258300781	384.0
406.1090087890625	368.0
406.1963195800781	227840.0
406.32373046875	196.0
406.481689453125	168.0
406.5691833496094	568.0
406.63775634765625	360.0
406.6810302734375	272.0
406.7406921386719	204.0
406.80364990234375	328.0
406.8574523925781	8340.0
406.9087219238281	660.0
407.0115051269531	220.0
407.0615539550781	576.0
407.0937194824219	308.0
407.1990051269531	141668.0
407.33306884765625	212.0
407.4093322753906	212.0
407.4931945800781	252.0
407.52435302734375	204.0
407.55999755859375	228.0
407.61334228515625	276.0
407.7724609375	320.0
407.8117980957031	196.0
407.8590087890625	1484.0
407.9410400390625	288.0
407.9999694824219	172.0
408.03662109375	128.0
408.06866455078125	176.0
408.1034240722656	140.0
408.1935119628906	151028.0
408.3056335449219	112.0
408.33282470703125	188.0
408.4267272949219	112.0
408.4651184082031	148.0
408.5125732421875	156.0
408.5746154785156	288.0
408.6417236328125	260.0
408.7076721191406	180.0
408.78387451171875	288.0
408.85418701171875	1208.0
408.9127197265625	752.0
408.99237060546875	172.0
409.0564270019531	188.0
409.0978088378906	172.0
409.1957092285156	35888.0
409.33563232421875	252.0
409.4115905761719	216.0
409.44390869140625	332.0
409.478271484375	100.0
409.52850341796875	240.0
409.5513000488281	536.0
409.6326904296875	204.0
409.6927490234375	284.0
409.74932861328125	324.0
409.8829040527344	224.0
409.9396057128906	292.0
409.9865417480469	252.0
410.0791320800781	152.0
410.1534423828125	180.0
410.1968994140625	1184.0
410.288818359375	160.0
410.3056945800781	240.0
410.4215393066406	240.0
410.4811096191406	172.0
410.54638671875	120.0
410.6208190917969	100.0
410.6495361328125	176.0
410.7696838378906	248.0
410.8299865722656	120.0
410.9417724609375	152.0
411.0610046386719	116.0
411.3592224121094	132.0
411.4131774902344	240.0
411.51556396484375	208.0
411.5467224121094	132.0
411.58843994140625	112.0
411.63116455078125	156.0
411.7310485839844	136.0
411.77099609375	140.0
411.8595275878906	132.0
411.951904296875	200.0
412.01593017578125	152.0
412.1026306152344	120.0
412.2553405761719	156.0
412.5136413574219	140.0
412.63043212890625	96.0
412.7240295410156	156.0
412.9227294921875	112.0
413.02410888671875	96.0
413.6694030761719	144.0
415.0398254394531	128.0
417.78045654296875	112.0
420.95947265625	216.0
421.0921325683594	152.0
421.3285827636719	116.0
422.21478271484375	156.0
423.4112854003906	144.0
423.4963684082031	100.0
423.61541748046875	96.0
424.20330810546875	152.0
426.0562744140625	100.0
426.18145751953125	152.0
433.6217346191406	152.0
443.2567138671875	152.0
511.5930480957031	160.0
523.5299072265625	116.0
547.038818359375	148.0
555.3045654296875	148.0
600.3017578125	120.0
617.513916015625	140.0
618.7760620117188	120.0
633.4329223632812	96.0
651.630615234375	104.0
662.1799926757812	132.0
682.8016967773438	160.0
715.7354736328125	148.0
892.1227416992188	164.0
903.6387939453125	204.0
995.7008666992188	108.0
1055.739013671875	108.0
1194.39501953125	160.0
1340.5179443359375	140.0
1398.265625	164.0
1407.2032470703125	220.0
1565.8294677734375	176.0
1579.3416748046875	152.0
1664.53955078125	164.0
1679.024658203125	144.0
1784.0355224609375	172.0
1864.646728515625	132.0
1962.1180419921875	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079049
PEPMASS=438.189758
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=32.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=FLUPHENAZINE aka 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1
INCHI=InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
INCHIAUX=PLDUPXSUYLZYBN-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079049
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079049
SCANS=1224
45.19794464111328	132.0
46.2158203125	212.0
46.62398910522461	184.0
46.71780776977539	144.0
46.808998107910156	140.0
46.8580322265625	200.0
47.020301818847656	200.0
47.077640533447266	188.0
47.488216400146484	156.0
47.674930572509766	160.0
48.01359558105469	148.0
48.623714447021484	168.0
48.787620544433594	160.0
48.96294403076172	224.0
49.560829162597656	152.0
49.989105224609375	140.0
50.379661560058594	168.0
50.815711975097656	140.0
51.2436637878418	184.0
52.31348419189453	160.0
52.382606506347656	140.0
52.62055969238281	156.0
52.92708206176758	156.0
53.16917037963867	160.0
53.34346389770508	216.0
53.884132385253906	172.0
54.91758728027344	168.0
55.81503677368164	164.0
56.54003143310547	156.0
56.62836456298828	172.0
57.0845947265625	192.0
57.433998107910156	148.0
57.92829132080078	240.0
59.04704284667969	144.0
59.64347457885742	200.0
59.67729568481445	256.0
59.84500503540039	140.0
60.65452194213867	160.0
61.05820846557617	160.0
61.22784423828125	200.0
61.318206787109375	152.0
61.54127883911133	236.0
61.736602783203125	144.0
61.769447326660156	168.0
61.98706817626953	144.0
62.12190246582031	156.0
62.64380645751953	168.0
62.76673889160156	268.0
62.855072021484375	140.0
63.10463333129883	188.0
63.19794845581055	148.0
63.272335052490234	144.0
64.05205535888672	144.0
64.35346984863281	172.0
64.556396484375	196.0
65.18799591064453	168.0
65.86466217041016	156.0
66.5220947265625	148.0
67.06864929199219	176.0
67.50455474853516	200.0
67.7205810546875	152.0
68.58283233642578	204.0
68.68212127685547	148.0
68.83230590820312	148.0
69.11495971679688	156.0
69.56243133544922	204.0
69.57405090332031	152.0
69.71025085449219	204.0
70.13130950927734	196.0
70.41661834716797	152.0
70.94369506835938	168.0
70.99567413330078	204.0
71.18362426757812	160.0
71.22393035888672	160.0
71.37181854248047	140.0
71.4609603881836	196.0
71.90245819091797	156.0
72.33853912353516	144.0
72.57063293457031	172.0
73.3528823852539	132.0
73.95049285888672	192.0
74.0446548461914	236.0
74.36011505126953	184.0
74.54730987548828	172.0
74.9155044555664	172.0
75.0792465209961	176.0
76.03595733642578	176.0
76.12102508544922	160.0
77.00570678710938	152.0
77.19770812988281	144.0
77.26966094970703	164.0
78.88231658935547	140.0
79.17070770263672	188.0
79.31067657470703	264.0
79.46495819091797	140.0
79.6353759765625	148.0
80.30815887451172	184.0
80.59200286865234	160.0
80.60629272460938	168.0
80.91944122314453	276.0
81.47527313232422	156.0
81.70159912109375	148.0
81.85478210449219	168.0
81.8926010131836	144.0
82.26766204833984	156.0
82.70133972167969	200.0
83.32528686523438	200.0
83.6435317993164	204.0
83.80379486083984	240.0
84.00798034667969	144.0
86.10600280761719	148.0
86.58685302734375	156.0
86.63871765136719	176.0
87.85453033447266	196.0
88.61544036865234	204.0
88.85166931152344	160.0
90.26618194580078	148.0
91.54986572265625	252.0
92.05433654785156	140.0
93.4613037109375	184.0
94.34269714355469	148.0
94.456787109375	236.0
94.62515258789062	172.0
94.65837097167969	128.0
94.97590637207031	148.0
94.99723815917969	248.0
95.05738830566406	140.0
95.24959564208984	192.0
95.87608337402344	204.0
96.08177947998047	416.0
96.14325714111328	144.0
96.35414123535156	176.0
96.45380401611328	180.0
97.07646942138672	444.0
97.6046142578125	164.0
97.74427032470703	164.0
98.04984283447266	248.0
98.08377075195312	4520.0
99.09635162353516	140.0
99.16085052490234	112.0
100.07630157470703	8052.0
100.11038208007812	340.0
101.07994079589844	760.0
101.12001037597656	204.0
101.725341796875	212.0
102.09503173828125	152.0
102.84854125976562	184.0
103.61090087890625	152.0
103.65547943115234	160.0
104.49293518066406	168.0
104.73018646240234	144.0
105.13386535644531	216.0
105.5771713256836	168.0
105.80429077148438	152.0
106.4789047241211	208.0
107.73170471191406	200.0
108.02685546875	156.0
110.08702087402344	156.0
110.48999786376953	148.0
110.89413452148438	188.0
111.09630584716797	296.0
111.43553924560547	160.0
111.68569946289062	140.0
112.07946014404297	100.0
112.10042572021484	580.0
112.49222564697266	148.0
112.88465881347656	184.0
113.10772705078125	1672.0
113.64190673828125	152.0
113.733154296875	144.0
114.07939910888672	268.0
114.1070327758789	232.0
114.5721206665039	120.0
115.42898559570312	224.0
115.95347595214844	152.0
116.31583404541016	148.0
117.07000732421875	316.0
117.29467010498047	148.0
117.5621109008789	244.0
118.9168930053711	176.0
119.42530822753906	180.0
121.3711166381836	252.0
121.78807830810547	176.0
121.9155044555664	220.0
122.01222229003906	184.0
123.0917739868164	132.0
123.91686248779297	156.0
124.02323150634766	204.0
124.09961700439453	412.0
124.76242065429688	168.0
125.10735321044922	1840.0
125.92334747314453	144.0
126.11399841308594	668.0
126.4867935180664	140.0
126.89899444580078	188.0
127.12339782714844	240.0
127.92118072509766	140.0
128.09487915039062	3052.0
128.6334991455078	140.0
129.0977783203125	204.0
130.09812927246094	200.0
130.35023498535156	160.0
130.75047302246094	140.0
131.12046813964844	144.0
131.41586303710938	176.0
131.48204040527344	184.0
131.55050659179688	220.0
131.9182891845703	160.0
132.2173309326172	200.0
132.79525756835938	204.0
133.1808624267578	152.0
133.45433044433594	152.0
134.0504913330078	140.0
134.0804443359375	160.0
134.97613525390625	140.0
135.08999633789062	204.0
135.59654235839844	160.0
136.02099609375	172.0
137.10716247558594	152.0
137.1234893798828	252.0
137.13980102539062	236.0
138.1310272216797	108.0
138.61741638183594	164.0
138.7433624267578	216.0
139.0823974609375	292.0
139.1228485107422	444.0
139.76031494140625	180.0
140.1087646484375	160.0
140.1276092529297	228.0
140.41519165039062	164.0
140.68653869628906	164.0
140.8636474609375	164.0
141.10243225097656	3064.0
141.1399383544922	3556.0
141.3577880859375	216.0
141.41004943847656	136.0
141.86463928222656	188.0
141.93338012695312	164.0
142.10792541503906	432.0
142.14144897460938	512.0
142.24180603027344	180.0
142.47093200683594	188.0
142.6123504638672	180.0
142.66464233398438	148.0
142.77833557128906	200.0
142.8294677734375	116.0
142.9476776123047	144.0
142.9677276611328	308.0
143.03079223632812	120.0
143.05592346191406	108.0
143.0752716064453	216.0
143.11859130859375	62408.0
143.17042541503906	280.0
143.2325439453125	116.0
143.3109893798828	124.0
143.3499298095703	112.0
143.36563110351562	232.0
143.70777893066406	148.0
143.74603271484375	112.0
143.96324157714844	144.0
144.12161254882812	5220.0
144.71160888671875	144.0
145.08277893066406	108.0
145.12294006347656	140.0
146.1468963623047	140.0
146.4381866455078	212.0
147.73196411132812	148.0
148.03451538085938	196.0
148.74154663085938	140.0
149.73446655273438	144.0
150.10243225097656	140.0
150.12925720214844	196.0
150.18048095703125	168.0
150.30001831054688	152.0
150.39413452148438	220.0
151.05226135253906	128.0
151.10874938964844	140.0
153.13638305664062	156.0
154.14376831054688	308.0
155.55709838867188	200.0
156.30517578125	140.0
156.33255004882812	172.0
157.04757690429688	196.0
157.13775634765625	160.0
158.3321990966797	152.0
158.90371704101562	168.0
161.36183166503906	144.0
161.94384765625	180.0
163.34495544433594	248.0
163.4136505126953	228.0
164.38612365722656	164.0
165.56549072265625	152.0
166.13963317871094	144.0
166.73277282714844	292.0
167.20082092285156	192.0
167.52267456054688	200.0
168.1827850341797	164.0
168.69424438476562	156.0
169.133544921875	396.0
169.46389770507812	140.0
169.50172424316406	156.0
169.9062042236328	184.0
170.18341064453125	148.0
170.57359313964844	172.0
170.83261108398438	204.0
171.09864807128906	268.0
171.14987182617188	51364.0
171.62998962402344	124.0
171.66708374023438	148.0
171.75732421875	144.0
172.15245056152344	5344.0
173.15325927734375	360.0
173.19921875	136.0
173.25289916992188	104.0
173.26992797851562	172.0
173.3887176513672	144.0
173.94590759277344	144.0
174.6343231201172	148.0
175.73809814453125	268.0
176.20541381835938	148.0
176.4326934814453	180.0
176.58340454101562	176.0
176.7633056640625	144.0
177.4784698486328	260.0
177.81271362304688	156.0
179.0010223388672	176.0
179.63800048828125	220.0
180.2520751953125	140.0
180.82168579101562	192.0
181.4967498779297	152.0
181.606689453125	144.0
183.0596466064453	208.0
183.3087158203125	168.0
183.3623504638672	164.0
183.72906494140625	144.0
184.17599487304688	212.0
184.56903076171875	144.0
184.7384490966797	156.0
185.059326171875	180.0
185.14541625976562	192.0
188.83859252929688	144.0
190.05677795410156	128.0
190.83413696289062	116.0
191.0064697265625	216.0
191.99813842773438	184.0
192.0797119140625	160.0
193.1542205810547	148.0
193.26211547851562	140.0
193.5416717529297	216.0
193.68014526367188	156.0
194.04039001464844	176.0
195.0886993408203	112.0
195.12313842773438	200.0
197.12998962402344	140.0
197.7452392578125	208.0
199.04600524902344	160.0
199.14710998535156	140.0
199.19204711914062	208.0
201.17730712890625	148.0
201.51747131347656	148.0
202.76492309570312	152.0
204.04144287109375	160.0
204.1665496826172	144.0
204.7250213623047	132.0
206.1020965576172	120.0
208.23341369628906	192.0
208.91952514648438	160.0
209.513427734375	152.0
210.03663635253906	336.0
210.34393310546875	164.0
210.58935546875	172.0
211.43646240234375	188.0
211.81285095214844	176.0
212.08811950683594	140.0
212.12734985351562	128.0
212.34165954589844	180.0
212.66561889648438	168.0
213.6173553466797	136.0
213.9268341064453	184.0
215.37315368652344	192.0
216.58700561523438	200.0
219.8563995361328	152.0
219.962646484375	156.0
220.10140991210938	156.0
221.04847717285156	120.0
222.82630920410156	176.0
223.3108367919922	144.0
224.0504608154297	124.0
225.4484405517578	148.0
225.68756103515625	140.0
226.06651306152344	1428.0
226.87315368652344	168.0
227.32005310058594	144.0
228.0733184814453	128.0
228.40762329101562	208.0
228.5926055908203	124.0
228.66114807128906	184.0
230.0106658935547	156.0
230.05482482910156	152.0
230.0764923095703	492.0
232.0668182373047	160.0
232.41357421875	148.0
232.57138061523438	148.0
233.0139617919922	204.0
233.25177001953125	164.0
233.7718505859375	140.0
234.1341094970703	164.0
235.0730438232422	180.0
235.73263549804688	156.0
236.0260772705078	208.0
236.05242919921875	188.0
236.8738250732422	140.0
237.0740203857422	188.0
237.38075256347656	136.0
237.43165588378906	172.0
238.03176879882812	312.0
239.0382843017578	160.0
239.07803344726562	880.0
239.1987762451172	136.0
239.4600372314453	144.0
240.08668518066406	240.0
241.03025817871094	200.0
241.0738525390625	156.0
241.25587463378906	160.0
242.0382537841797	200.0
243.1422119140625	192.0
244.0152130126953	160.0
244.05673217773438	452.0
244.91127014160156	200.0
245.06080627441406	176.0
245.24778747558594	148.0
245.40365600585938	152.0
246.05166625976562	136.0
246.68988037109375	140.0
246.8809814453125	144.0
247.06805419921875	172.0
248.02777099609375	168.0
248.06822204589844	7412.0
248.3400421142578	204.0
248.42787170410156	140.0
248.6883087158203	152.0
249.0745086669922	680.0
249.52389526367188	196.0
250.07606506347656	456.0
250.7420654296875	156.0
251.24026489257812	176.0
251.51480102539062	168.0
251.79580688476562	184.0
251.96636962890625	176.0
253.07247924804688	152.0
254.3191680908203	176.0
255.02806091308594	128.0
255.0814971923828	180.0
255.5044403076172	156.0
255.72718811035156	176.0
257.11700439453125	180.0
257.5733337402344	156.0
257.8544921875	232.0
257.92681884765625	152.0
258.0389709472656	4288.0
258.10064697265625	168.0
259.0419006347656	908.0
259.58319091796875	176.0
259.9086608886719	104.0
260.0346984863281	1588.0
260.30841064453125	180.0
261.0345153808594	256.0
261.092529296875	220.0
261.6427307128906	232.0
262.0505676269531	548.0
262.0873107910156	164.0
262.2451171875	168.0
262.6223449707031	164.0
263.0517272949219	204.0
263.11810302734375	100.0
263.739501953125	200.0
264.0143127441406	152.0
264.04718017578125	148.0
264.66473388671875	152.0
264.79425048828125	212.0
265.8283996582031	144.0
266.0244445800781	356.0
266.0653381347656	140.0
266.20172119140625	200.0
266.37060546875	148.0
266.55255126953125	144.0
266.71502685546875	212.0
266.7800598144531	164.0
267.03326416015625	1112.0
268.0404052734375	300.0
268.4992370605469	148.0
268.7275695800781	232.0
268.9625244140625	140.0
269.44256591796875	176.0
269.78570556640625	144.0
269.9099426269531	160.0
270.79351806640625	192.0
271.01300048828125	172.0
271.1768493652344	152.0
272.0898742675781	128.0
272.354736328125	156.0
273.52532958984375	164.0
274.0851135253906	452.0
275.0901794433594	1340.0
276.0984802246094	660.0
276.14324951171875	168.0
276.6405944824219	168.0
277.08544921875	116.0
277.419921875	172.0
277.6852111816406	180.0
278.08001708984375	184.0
278.679443359375	124.0
279.0298156738281	112.0
279.2195739746094	152.0
280.04132080078125	28368.0
280.1112060546875	172.0
281.0440368652344	4184.0
281.1217956542969	184.0
281.36810302734375	152.0
281.50567626953125	160.0
281.77288818359375	192.0
282.0408020019531	1316.0
282.4596252441406	216.0
282.5562744140625	152.0
282.635498046875	152.0
282.93206787109375	184.0
283.0378723144531	180.0
283.56646728515625	160.0
283.6301574707031	144.0
283.9866943359375	132.0
284.04571533203125	128.0
284.2438659667969	176.0
285.1337890625	188.0
285.2043762207031	184.0
285.2413330078125	196.0
285.2951354980469	140.0
286.06793212890625	456.0
286.4729309082031	144.0
287.0189208984375	212.0
287.06951904296875	168.0
287.19427490234375	152.0
287.5485534667969	176.0
287.6123046875	144.0
287.93341064453125	140.0
288.06378173828125	232.0
288.3591003417969	152.0
288.55517578125	180.0
288.6566162109375	168.0
290.0135192871094	164.0
291.056884765625	120.0
291.1439514160156	160.0
291.28997802734375	152.0
291.9425354003906	100.0
292.279296875	192.0
292.7440490722656	124.0
293.0623474121094	148.0
293.9694519042969	144.0
294.0644226074219	104.0
294.1656494140625	172.0
294.303955078125	152.0
294.99749755859375	148.0
295.0582275390625	168.0
295.57122802734375	164.0
295.6302185058594	184.0
295.7055358886719	156.0
296.8846130371094	120.0
298.69061279296875	152.0
298.7973327636719	136.0
300.2818603515625	176.0
300.7994384765625	188.0
301.4521789550781	148.0
301.75634765625	160.0
304.26812744140625	164.0
304.5841369628906	148.0
304.6277770996094	128.0
304.771728515625	140.0
305.1069030761719	148.0
307.7427673339844	140.0
307.9697570800781	180.0
308.0721435546875	5500.0
309.0730285644531	824.0
309.2389221191406	180.0
309.52947998046875	192.0
309.8587341308594	224.0
310.07098388671875	488.0
310.938720703125	172.0
312.1542053222656	140.0
312.4391174316406	156.0
312.72412109375	176.0
312.77691650390625	144.0
313.3254699707031	160.0
315.249267578125	196.0
316.1050109863281	212.0
316.3846130371094	144.0
318.0577697753906	164.0
318.5655517578125	152.0
319.81719970703125	164.0
320.21240234375	140.0
320.2713317871094	104.0
320.7789611816406	184.0
321.0082702636719	212.0
322.2175598144531	160.0
322.8855285644531	144.0
324.04888916015625	156.0
325.4600524902344	156.0
325.75653076171875	156.0
326.5796813964844	192.0
327.6271667480469	156.0
328.6654968261719	148.0
329.2394714355469	172.0
331.1087341308594	96.0
331.5620422363281	156.0
331.89190673828125	140.0
333.1511535644531	104.0
334.05279541015625	144.0
335.2429504394531	164.0
336.1988220214844	236.0
337.0386962890625	160.0
337.0816345214844	176.0
337.9710693359375	140.0
338.85711669921875	140.0
339.4943542480469	156.0
340.2507629394531	176.0
341.14117431640625	128.0
341.3420104980469	224.0
341.62518310546875	168.0
342.03216552734375	160.0
342.6228332519531	180.0
343.2789001464844	204.0
344.1903381347656	220.0
344.5005798339844	148.0
346.3197937011719	152.0
346.3612060546875	148.0
346.98748779296875	152.0
347.09130859375	140.0
347.32122802734375	192.0
347.8518371582031	140.0
348.08203125	152.0
348.3818664550781	148.0
348.8816223144531	136.0
348.9775085449219	144.0
349.017578125	124.0
349.1285705566406	192.0
350.0118713378906	232.0
350.0379638671875	148.0
350.1361083984375	124.0
351.1105041503906	224.0
351.1745910644531	224.0
351.2620544433594	156.0
352.1300354003906	164.0
353.1436767578125	136.0
353.71649169921875	136.0
353.81646728515625	144.0
354.1047668457031	148.0
356.22216796875	156.0
357.17877197265625	140.0
358.0670471191406	144.0
358.447509765625	148.0
358.5756530761719	160.0
358.7475891113281	156.0
358.9082946777344	132.0
359.1575622558594	168.0
360.18548583984375	208.0
360.2207336425781	152.0
360.458740234375	192.0
362.915283203125	204.0
363.26800537109375	140.0
364.08782958984375	156.0
365.129150390625	224.0
366.1376647949219	140.0
366.21685791015625	196.0
367.14154052734375	168.0
367.5595397949219	188.0
367.99847412109375	148.0
368.07867431640625	160.0
368.2696228027344	184.0
369.27874755859375	124.0
370.0860595703125	144.0
370.12542724609375	144.0
371.1318664550781	140.0
372.5098571777344	140.0
372.6212463378906	176.0
373.0978088378906	204.0
373.1387023925781	772.0
373.20928955078125	172.0
373.3823547363281	140.0
373.77471923828125	204.0
373.8247375488281	176.0
374.14410400390625	216.0
374.648681640625	140.0
375.5121154785156	192.0
375.62396240234375	256.0
375.87860107421875	160.0
376.1898193359375	120.0
376.7178955078125	128.0
377.28448486328125	168.0
378.1611328125	1028.0
379.1645812988281	328.0
379.21075439453125	124.0
379.3245544433594	164.0
380.1506652832031	220.0
380.8263244628906	104.0
381.0281677246094	188.0
381.1708068847656	152.0
381.20086669921875	196.0
381.73944091796875	168.0
382.8251647949219	140.0
383.70574951171875	164.0
385.6259460449219	232.0
386.07598876953125	116.0
387.10504150390625	176.0
387.3870544433594	164.0
387.7434997558594	132.0
388.3238525390625	140.0
389.29241943359375	160.0
389.3583679199219	160.0
390.0986328125	120.0
390.362060546875	160.0
390.76324462890625	172.0
391.1324157714844	580.0
391.81048583984375	148.0
392.12884521484375	232.0
392.4410705566406	156.0
392.8749084472656	148.0
393.0208740234375	204.0
393.2513122558594	112.0
393.8112487792969	172.0
394.1264343261719	164.0
394.2256164550781	124.0
394.32403564453125	160.0
395.1217956542969	144.0
395.2089538574219	184.0
395.4631042480469	148.0
396.7623596191406	160.0
397.9089050292969	144.0
398.0002136230469	160.0
398.1696472167969	2756.0
398.9656677246094	216.0
399.0928955078125	144.0
399.1716003417969	804.0
399.2400207519531	192.0
399.4667053222656	164.0
400.1712951660156	428.0
400.219482421875	164.0
400.60919189453125	156.0
400.7765197753906	156.0
402.3359375	156.0
402.5200500488281	176.0
403.88238525390625	168.0
404.8349304199219	152.0
405.33966064453125	140.0
405.3717041015625	140.0
405.79656982421875	148.0
405.8406677246094	140.0
406.081298828125	140.0
408.531494140625	148.0
408.857421875	216.0
409.4169921875	180.0
409.6264343261719	152.0
410.2671813964844	152.0
410.3679504394531	148.0
411.3280944824219	148.0
413.5916442871094	160.0
413.8114318847656	156.0
414.2759704589844	152.0
414.66497802734375	184.0
418.0112609863281	160.0
418.1089172363281	168.0
418.1712341308594	432.0
418.4345703125	244.0
418.5119323730469	160.0
419.1548767089844	160.0
420.0809631347656	172.0
421.9922180175781	168.0
422.1271667480469	156.0
422.9781494140625	160.0
423.055908203125	160.0
424.809814453125	200.0
425.2344055175781	136.0
426.1964416503906	144.0
426.3371887207031	144.0
426.5621337890625	132.0
426.9127197265625	172.0
427.2746887207031	196.0
427.4598388671875	140.0
427.6793518066406	116.0
428.316162109375	200.0
429.0702819824219	144.0
430.060302734375	180.0
430.1758728027344	368.0
430.7400207519531	212.0
430.8830261230469	132.0
430.9252624511719	172.0
431.9674072265625	160.0
432.1715393066406	144.0
432.3310546875	128.0
432.4576721191406	108.0
432.7455749511719	144.0
432.8845520019531	136.0
432.96453857421875	104.0
433.43072509765625	132.0
433.5384521484375	180.0
433.5865478515625	112.0
433.8309326171875	176.0
433.8866271972656	164.0
433.9363708496094	236.0
434.02532958984375	156.0
434.3876647949219	140.0
434.5820617675781	132.0
434.7161865234375	356.0
434.9239501953125	108.0
434.99603271484375	168.0
435.0425109863281	176.0
435.0942687988281	248.0
435.182373046875	188.0
435.2504577636719	348.0
435.292236328125	148.0
435.32391357421875	100.0
435.3989562988281	152.0
435.49981689453125	192.0
435.57476806640625	124.0
435.6217956542969	128.0
435.7150573730469	280.0
435.7572021484375	108.0
435.7923583984375	148.0
435.8297424316406	144.0
435.8871765136719	100.0
435.9888916015625	124.0
436.02685546875	164.0
436.1133117675781	152.0
436.1692810058594	132.0
436.2180480957031	180.0
436.29681396484375	144.0
436.4804382324219	144.0
436.504638671875	420.0
436.5408020019531	348.0
436.5700988769531	136.0
436.64825439453125	104.0
436.6980895996094	136.0
436.7389221191406	132.0
436.7877197265625	196.0
436.85516357421875	292.0
436.93408203125	136.0
436.99688720703125	288.0
437.0738525390625	356.0
437.13299560546875	176.0
437.2200927734375	292.0
437.31634521484375	132.0
437.3434753417969	332.0
437.380859375	232.0
437.4432373046875	152.0
437.4771728515625	512.0
437.547119140625	424.0
437.65069580078125	140.0
437.7150573730469	120.0
437.78973388671875	288.0
437.8424072265625	284.0
437.9473571777344	708.0
438.0087890625	520.0
438.0746154785156	328.0
438.1229553222656	440.0
438.1852722167969	229072.0
438.3230895996094	244.0
438.46881103515625	308.0
438.5003967285156	336.0
438.57037353515625	880.0
438.6328125	500.0
438.69366455078125	412.0
438.816650390625	784.0
438.8739929199219	10148.0
438.9394836425781	304.0
439.030517578125	384.0
439.08880615234375	304.0
439.186767578125	142484.0
439.3243103027344	140.0
439.44866943359375	184.0
439.4905090332031	132.0
439.56829833984375	292.0
439.6420593261719	160.0
439.760986328125	252.0
439.8150939941406	208.0
439.87628173828125	1504.0
439.98907470703125	220.0
440.0328063964844	308.0
440.1830749511719	45512.0
440.3321533203125	140.0
440.51708984375	228.0
440.59893798828125	152.0
440.6330261230469	300.0
440.78985595703125	112.0
440.8316650390625	212.0
440.8677978515625	140.0
440.9305114746094	220.0
441.0099182128906	148.0
441.183837890625	6716.0
441.2453918457031	332.0
441.30133056640625	140.0
441.53509521484375	208.0
441.553955078125	384.0
441.58465576171875	324.0
441.6187438964844	480.0
441.68682861328125	268.0
441.749755859375	148.0
441.80621337890625	220.0
441.83135986328125	424.0
441.8690185546875	208.0
441.9156188964844	304.0
441.9571533203125	356.0
442.0190734863281	220.0
442.1050109863281	232.0
442.1864318847656	276.0
442.25555419921875	152.0
442.3379821777344	176.0
442.3714294433594	156.0
442.5224304199219	200.0
442.7181396484375	116.0
442.8047790527344	168.0
442.8997802734375	180.0
442.94012451171875	200.0
443.0014953613281	220.0
443.0865478515625	276.0
443.1280822753906	208.0
443.2148742675781	104.0
443.25909423828125	144.0
443.34039306640625	212.0
443.7380065917969	112.0
443.80694580078125	132.0
444.0929260253906	96.0
444.2030334472656	184.0
444.8811950683594	104.0
445.05322265625	104.0
445.1864013671875	144.0
445.97314453125	96.0
446.3304748535156	96.0
448.0785217285156	120.0
449.69439697265625	104.0
452.0108642578125	96.0
452.16107177734375	104.0
453.0185241699219	164.0
454.4249572753906	124.0
454.9462890625	132.0
457.0624694824219	116.0
457.21246337890625	240.0
459.2740478515625	104.0
462.9156799316406	124.0
468.7845764160156	140.0
490.6689758300781	124.0
511.3044738769531	160.0
515.783203125	176.0
534.2106323242188	168.0
566.5935668945312	156.0
579.8718872070312	104.0
583.6759643554688	152.0
605.1568603515625	204.0
646.0055541992188	100.0
657.6115112304688	152.0
666.2653198242188	168.0
731.1304321289062	156.0
786.2158203125	184.0
829.5275268554688	144.0
848.0615844726562	240.0
956.2233276367188	144.0
1030.9539794921875	160.0
1049.337646484375	140.0
1052.9501953125	140.0
1054.2884521484375	144.0
1058.771728515625	192.0
1120.6556396484375	140.0
1125.76513671875	160.0
1211.8665771484375	144.0
1216.2669677734375	112.0
1217.08935546875	224.0
1259.50927734375	160.0
1341.38232421875	172.0
1362.4605712890625	156.0
1368.638671875	256.0
1392.413330078125	216.0
1404.381103515625	156.0
1411.1617431640625	140.0
1418.12353515625	176.0
1422.6090087890625	200.0
1428.545654296875	228.0
1436.3194580078125	156.0
1456.7802734375	192.0
1472.669677734375	188.0
1476.12744140625	152.0
1482.6231689453125	188.0
1495.064208984375	180.0
1504.3441162109375	220.0
1515.0390625	140.0
1557.5694580078125	268.0
1568.364990234375	172.0
1570.8330078125	152.0
1573.4056396484375	176.0
1578.0670166015625	172.0
1579.791015625	172.0
1581.6268310546875	144.0
1601.8275146484375	212.0
1616.1898193359375	192.0
1618.23876953125	192.0
1618.71923828125	160.0
1623.254638671875	152.0
1645.6072998046875	156.0
1653.7476806640625	196.0
1657.0352783203125	184.0
1659.166748046875	164.0
1684.5792236328125	180.0
1692.65380859375	184.0
1692.86669921875	160.0
1697.045654296875	168.0
1698.9483642578125	184.0
1699.3011474609375	164.0
1709.3994140625	168.0
1714.40625	168.0
1720.9639892578125	184.0
1723.00390625	212.0
1729.0400390625	228.0
1735.9324951171875	148.0
1736.7784423828125	156.0
1739.7242431640625	160.0
1757.234375	144.0
1765.1610107421875	172.0
1772.75341796875	260.0
1773.390380859375	216.0
1774.7987060546875	204.0
1789.561279296875	144.0
1793.478515625	208.0
1795.7718505859375	176.0
1802.145263671875	172.0
1806.558349609375	200.0
1819.12548828125	140.0
1828.262451171875	152.0
1844.860595703125	140.0
1846.42529296875	148.0
1850.2706298828125	176.0
1853.701904296875	224.0
1876.8072509765625	144.0
1878.8426513671875	192.0
1891.840087890625	152.0
1892.3162841796875	196.0
1893.4332275390625	144.0
1902.641845703125	192.0
1913.4569091796875	144.0
1915.102783203125	144.0
1916.7841796875	172.0
1918.6754150390625	140.0
1925.7523193359375	196.0
1932.0897216796875	148.0
1944.6903076171875	156.0
1960.4239501953125	168.0
1965.379638671875	160.0
1970.0146484375	152.0
1977.55712890625	152.0
1982.9420166015625	176.0
1986.568603515625	148.0
1988.476318359375	188.0
1989.06201171875	180.0
1998.7803955078125	140.0
2000.76953125	160.0
2002.9691162109375	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079050
PEPMASS=219.596497
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1
INCHI=InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
INCHIAUX=PLDUPXSUYLZYBN-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079050
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079050
SCANS=1240
45.86873245239258	160.0
60.37427520751953	176.0
62.95293045043945	168.0
63.894447326660156	172.0
64.69879150390625	196.0
68.91487884521484	140.0
77.62171173095703	164.0
85.29344940185547	180.0
87.19351196289062	184.0
89.66961669921875	140.0
94.40455627441406	144.0
96.68849182128906	168.0
97.07637786865234	180.0
98.09626770019531	336.0
99.75765991210938	176.0
100.07199096679688	192.0
100.1125259399414	484.0
110.68463134765625	188.0
111.1017074584961	152.0
113.10755920410156	1180.0
114.65619659423828	184.0
116.2000503540039	280.0
117.87088775634766	164.0
122.58226776123047	200.0
125.10736083984375	356.0
125.12948608398438	184.0
127.13225555419922	160.0
129.59010314941406	144.0
130.98269653320312	148.0
135.00155639648438	188.0
135.2653045654297	176.0
138.04092407226562	180.0
139.1202850341797	472.0
141.13905334472656	3116.0
141.16635131835938	192.0
142.14401245117188	680.0
143.1180877685547	1628.0
144.11842346191406	444.0
147.99574279785156	140.0
151.6278533935547	148.0
153.06494140625	204.0
154.0627899169922	160.0
154.1481475830078	336.0
154.99905395507812	156.0
155.9495391845703	188.0
156.17579650878906	236.0
157.13204956054688	604.0
158.13815307617188	164.0
165.06134033203125	164.0
166.06790161132812	236.0
167.07986450195312	168.0
169.216796875	156.0
171.15423583984375	164.0
173.14356994628906	204.0
173.1652374267578	176.0
175.17652893066406	164.0
176.05482482910156	148.0
180.31350708007812	152.0
182.512939453125	188.0
185.06610107421875	124.0
185.3350067138672	164.0
189.7449493408203	200.0
190.66448974609375	156.0
190.96966552734375	152.0
194.01817321777344	172.0
194.084716796875	180.0
197.02540588378906	128.0
198.03628540039062	576.0
199.0459747314453	412.0
200.58770751953125	176.0
201.60377502441406	176.0
202.4892578125	176.0
202.7385711669922	168.0
203.05389404296875	952.0
204.05892944335938	368.0
206.79696655273438	188.0
207.04605102539062	160.0
209.5921630859375	320.0
210.0899658203125	212.0
210.58932495117188	160.0
211.17893981933594	192.0
211.73751831054688	152.0
213.0340576171875	168.0
215.0561981201172	160.0
216.0606231689453	148.0
216.50790405273438	160.0
217.03829956054688	168.0
217.10281372070312	144.0
217.14093017578125	164.0
218.13629150390625	176.0
219.0895538330078	876.0
219.16929626464844	200.0
219.58734130859375	512.0
220.10305786132812	356.0
221.00584411621094	156.0
221.19229125976562	176.0
222.05441284179688	236.0
223.05892944335938	428.0
224.06158447265625	316.0
226.08837890625	140.0
227.02362060546875	312.0
227.24501037597656	188.0
228.02719116210938	672.0
229.03067016601562	140.0
229.46762084960938	144.0
232.06443786621094	164.0
233.0437469482422	128.0
234.05035400390625	740.0
234.4356689453125	160.0
235.01808166503906	160.0
235.05978393554688	3352.0
236.06582641601562	432.0
237.6862335205078	156.0
243.12045288085938	164.0
244.198486328125	176.0
245.76229858398438	140.0
246.01858520507812	232.0
247.02621459960938	4228.0
247.08590698242188	164.0
248.03195190429688	908.0
249.0230712890625	300.0
250.8428955078125	144.0
254.4651641845703	212.0
255.2499542236328	184.0
255.59349060058594	240.0
261.5139465332031	152.0
266.0251159667969	892.0
266.5882568359375	140.0
266.62261962890625	132.0
266.7507629394531	140.0
266.7767639160156	156.0
266.8612976074219	212.0
266.92205810546875	116.0
266.96917724609375	112.0
267.033935546875	53744.0
267.3152770996094	112.0
267.35223388671875	232.0
267.539306640625	188.0
267.5691223144531	556.0
267.6263732910156	132.0
267.9027099609375	236.0
267.9942321777344	128.0
268.0361328125	9284.0
268.3818054199219	144.0
269.0311584472656	2648.0
269.8525085449219	108.0
269.9807434082031	100.0
270.0301818847656	528.0
271.04852294921875	184.0
272.1248474121094	168.0
274.08843994140625	144.0
280.0408630371094	164.0
461.5216369628906	140.0
1069.04150390625	152.0
1285.2799072265625	144.0
1294.2359619140625	188.0
1373.2442626953125	200.0
1444.4923095703125	184.0
1576.422607421875	192.0
1599.3826904296875	196.0
1683.4051513671875	236.0
1741.4178466796875	144.0
1757.4010009765625	148.0
1808.68212890625	184.0
1892.2120361328125	180.0
1995.07568359375	168.0
2000.1282958984375	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079051
PEPMASS=248.074692
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=1-(2-ethylsulfonylethyl)-2-methyl-5-nitroimidazole [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-]
INCHI=InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3
INCHIAUX=HJLSLZFTEKNLFI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079051
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079051
SCANS=1037
45.02751922607422	148.0
45.3365592956543	168.0
46.18747329711914	156.0
46.425846099853516	156.0
46.59687805175781	204.0
46.967987060546875	164.0
48.20140838623047	172.0
48.77934646606445	148.0
49.77129364013672	216.0
50.044071197509766	148.0
50.328887939453125	160.0
51.084285736083984	184.0
51.443397521972656	220.0
51.644874572753906	164.0
51.78371047973633	172.0
52.281890869140625	180.0
52.791133880615234	248.0
52.95322036743164	204.0
53.03001022338867	212.0
53.11265563964844	188.0
53.9543571472168	196.0
55.406951904296875	196.0
55.43510437011719	172.0
56.187469482421875	144.0
57.68473815917969	160.0
57.88899230957031	204.0
58.313777923583984	180.0
58.75994873046875	168.0
58.7828369140625	208.0
59.34999465942383	164.0
59.58515930175781	152.0
59.7158203125	168.0
60.498146057128906	196.0
60.88888931274414	200.0
60.96501541137695	204.0
61.35102081298828	160.0
61.52886962890625	204.0
61.65695571899414	256.0
62.01066207885742	148.0
63.093650817871094	176.0
63.61643600463867	144.0
63.934326171875	192.0
64.39666748046875	216.0
64.50691986083984	172.0
64.52450561523438	220.0
64.54049682617188	144.0
64.91679382324219	152.0
65.0339126586914	196.0
65.11258697509766	160.0
65.38267517089844	204.0
65.76948547363281	196.0
66.01344299316406	220.0
66.42320251464844	168.0
66.64561462402344	216.0
66.70899963378906	176.0
66.89444732666016	160.0
67.35102081298828	160.0
69.46959686279297	164.0
69.51107788085938	164.0
71.00918579101562	156.0
71.0226058959961	184.0
71.33997344970703	220.0
71.47115325927734	144.0
71.55026245117188	140.0
71.756591796875	204.0
72.19481658935547	212.0
72.5198745727539	168.0
73.31015014648438	192.0
73.57282257080078	164.0
73.89241027832031	168.0
73.97283935546875	220.0
74.73483276367188	192.0
74.7537612915039	200.0
75.04313659667969	188.0
75.11557006835938	200.0
75.38663482666016	152.0
75.50592041015625	204.0
76.7248764038086	172.0
77.67794799804688	140.0
78.84530639648438	180.0
79.15665435791016	264.0
81.15054321289062	152.0
81.32275390625	164.0
82.060302734375	232.0
82.13603973388672	164.0
82.23167419433594	192.0
82.25152587890625	216.0
82.35986328125	176.0
83.50900268554688	148.0
83.68187713623047	140.0
83.70372772216797	148.0
84.08837890625	180.0
84.2161865234375	140.0
84.59285736083984	176.0
84.74486541748047	144.0
85.13006591796875	164.0
87.38330841064453	176.0
87.44657897949219	188.0
88.2150650024414	160.0
88.34410095214844	200.0
88.64928436279297	156.0
89.44231414794922	164.0
89.6056900024414	148.0
89.63018035888672	148.0
89.96023559570312	296.0
90.09431457519531	156.0
90.2492904663086	144.0
90.68090057373047	140.0
90.76620483398438	228.0
90.90278625488281	144.0
91.94374084472656	236.0
92.46739196777344	156.0
92.63014221191406	164.0
92.95415496826172	236.0
92.99947357177734	228.0
93.32486724853516	172.0
93.65586853027344	152.0
94.46078491210938	176.0
94.57107543945312	228.0
94.79379272460938	184.0
94.97991180419922	152.0
94.99736785888672	180.0
95.06063842773438	3600.0
95.61719512939453	164.0
95.78074645996094	160.0
95.89375305175781	168.0
96.04583740234375	212.0
96.0623779296875	144.0
96.36404418945312	144.0
96.77281188964844	176.0
97.00790405273438	156.0
97.46715545654297	180.0
97.59098815917969	152.0
98.745849609375	200.0
98.90287017822266	204.0
100.11371612548828	328.0
100.25141143798828	160.0
100.36503601074219	148.0
100.81816101074219	152.0
100.97809600830078	208.0
101.92713165283203	152.0
102.126953125	440.0
102.9072265625	152.0
103.10518646240234	180.0
103.12290954589844	208.0
103.13121032714844	160.0
103.21434783935547	176.0
103.29119873046875	156.0
103.75696563720703	148.0
104.93206787109375	176.0
106.01335906982422	168.0
106.94435119628906	140.0
107.06057739257812	416.0
107.401123046875	144.0
108.06788635253906	636.0
108.1377182006836	168.0
108.907958984375	176.0
109.07626342773438	1344.0
109.48051452636719	180.0
110.0841293334961	2092.0
110.26640319824219	144.0
110.64920043945312	148.0
111.04288482666016	604.0
111.08470153808594	260.0
111.55127716064453	160.0
111.67112731933594	148.0
111.81839752197266	172.0
112.00806427001953	100.0
112.06471252441406	296.0
112.3536148071289	148.0
112.9747085571289	168.0
113.05722045898438	152.0
113.10047149658203	208.0
113.38523864746094	176.0
113.55296325683594	160.0
113.5762939453125	176.0
113.61235809326172	168.0
113.72482299804688	144.0
114.82479095458984	240.0
114.92505645751953	196.0
115.48688507080078	188.0
115.84007263183594	196.0
116.45352935791016	140.0
116.90930938720703	160.0
117.09014129638672	144.0
117.6982650756836	184.0
119.24283599853516	152.0
119.28450012207031	168.0
119.67355346679688	152.0
120.05651092529297	20252.0
120.12167358398438	168.0
120.67792510986328	104.0
120.93095397949219	196.0
120.95722198486328	148.0
121.03266143798828	32160.0
121.05859375	1284.0
121.1005630493164	360.0
121.15868377685547	164.0
122.00166320800781	132.0
122.03650665283203	1692.0
122.37760162353516	148.0
122.711181640625	148.0
123.02899169921875	2060.0
123.7708511352539	208.0
124.03669738769531	184.0
124.38581085205078	176.0
124.90713500976562	212.0
125.06912231445312	232.0
125.62664794921875	152.0
126.26322174072266	152.0
126.86778259277344	140.0
127.07506561279297	340.0
127.1239242553711	1004.0
127.25590515136719	144.0
127.88533782958984	140.0
128.04603576660156	10780.0
128.122314453125	164.0
128.7668914794922	176.0
128.82562255859375	216.0
129.04930114746094	548.0
129.89181518554688	176.0
129.91293334960938	152.0
129.9961700439453	160.0
130.86219787597656	140.0
131.29833984375	148.0
132.32568359375	164.0
134.0276336669922	140.0
134.57427978515625	144.0
135.27708435058594	140.0
135.78219604492188	180.0
135.9097900390625	196.0
136.46722412109375	168.0
137.71395874023438	152.0
138.79513549804688	188.0
139.1082000732422	204.0
140.8189697265625	148.0
142.07301330566406	132.0
143.08592224121094	200.0
143.259765625	172.0
143.93472290039062	188.0
144.08157348632812	212.0
144.95851135253906	192.0
145.0513916015625	8508.0
145.27825927734375	176.0
146.05491638183594	1448.0
147.068603515625	392.0
147.4613494873047	148.0
151.21417236328125	236.0
152.12109375	196.0
152.94207763671875	164.0
153.11196899414062	176.0
153.73814392089844	164.0
154.0620880126953	1056.0
154.9596405029297	160.0
155.92739868164062	164.0
156.07656860351562	632.0
156.10142517089844	172.0
157.08021545410156	208.0
157.3001251220703	152.0
158.08457946777344	156.0
159.64743041992188	144.0
160.51116943359375	140.0
161.3468780517578	180.0
161.47584533691406	144.0
162.0772247314453	1960.0
162.8673095703125	168.0
163.0805206298828	400.0
163.65567016601562	140.0
163.87518310546875	128.0
163.99447631835938	148.0
164.87242126464844	384.0
164.9797821044922	160.0
165.58363342285156	180.0
166.09368896484375	164.0
166.37339782714844	144.0
166.42730712890625	152.0
166.49407958984375	256.0
168.68930053710938	180.0
170.6076202392578	172.0
171.7533721923828	140.0
173.0388641357422	324.0
174.04852294921875	184.0
174.1194305419922	180.0
175.18206787109375	160.0
175.5457763671875	180.0
176.21885681152344	156.0
177.13816833496094	144.0
178.8007049560547	152.0
179.01724243164062	156.0
179.15841674804688	172.0
181.2986297607422	180.0
181.4996795654297	168.0
184.35842895507812	172.0
185.668701171875	212.0
186.15174865722656	156.0
186.43426513671875	172.0
187.0489501953125	140.0
187.8173370361328	204.0
188.57911682128906	160.0
189.02761840820312	172.0
190.5109100341797	176.0
190.64553833007812	152.0
193.86048889160156	184.0
196.75877380371094	156.0
197.01290893554688	280.0
197.2113037109375	184.0
197.58880615234375	152.0
198.32247924804688	172.0
201.10983276367188	160.0
201.29051208496094	140.0
201.44020080566406	228.0
202.07749938964844	11456.0
202.13552856445312	584.0
202.2121124267578	172.0
202.3819580078125	184.0
203.07960510253906	732.0
203.13865661621094	184.0
204.07183837890625	720.0
204.75022888183594	140.0
204.9069061279297	160.0
205.0835723876953	184.0
205.16909790039062	356.0
206.1909637451172	184.0
206.6254119873047	124.0
206.98336791992188	168.0
208.35720825195312	160.0
210.3759765625	232.0
210.60952758789062	208.0
210.88145446777344	164.0
210.93060302734375	188.0
211.80445861816406	156.0
212.12030029296875	180.0
212.574951171875	236.0
212.7875213623047	236.0
212.8746337890625	184.0
213.7205047607422	176.0
216.4496612548828	176.0
217.47572326660156	176.0
217.54031372070312	168.0
217.5637969970703	164.0
217.80165100097656	144.0
218.1983642578125	212.0
219.8625946044922	200.0
220.04017639160156	560.0
222.02813720703125	144.0
222.7196807861328	144.0
223.04354858398438	216.0
224.2380828857422	120.0
225.0216064453125	180.0
225.4009246826172	160.0
226.47792053222656	156.0
227.47943115234375	152.0
228.54632568359375	152.0
228.88645935058594	148.0
229.26600646972656	140.0
229.92344665527344	156.0
232.1378631591797	168.0
232.17425537109375	268.0
233.10316467285156	200.0
233.7965087890625	160.0
237.37063598632812	180.0
239.61131286621094	208.0
240.45310974121094	164.0
241.76036071777344	164.0
243.6175994873047	200.0
243.65798950195312	144.0
244.32638549804688	204.0
244.8212890625	164.0
245.11099243164062	164.0
245.2548370361328	152.0
245.28460693359375	204.0
245.4725799560547	164.0
245.59620666503906	100.0
245.78607177734375	200.0
245.83938598632812	184.0
245.8888397216797	140.0
245.9499053955078	172.0
246.0659942626953	200.0
246.10147094726562	160.0
246.1724853515625	57704.0
246.29380798339844	116.0
246.36566162109375	180.0
246.4611053466797	128.0
246.63931274414062	208.0
246.77642822265625	132.0
246.92921447753906	116.0
246.97886657714844	180.0
247.0318603515625	108.0
247.0811309814453	108.0
247.1204071044922	108.0
247.1739959716797	9888.0
247.4014892578125	128.0
247.46803283691406	116.0
247.51036071777344	196.0
247.55642700195312	132.0
247.58517456054688	120.0
247.61871337890625	124.0
247.64605712890625	144.0
247.6658172607422	184.0
247.75660705566406	188.0
247.80091857910156	140.0
247.8302001953125	152.0
247.8533172607422	316.0
247.92152404785156	260.0
247.96205139160156	328.0
248.00521850585938	384.0
248.07254028320312	170204.0
248.18064880371094	300.0
248.2830047607422	164.0
248.3112335205078	224.0
248.35414123535156	288.0
248.41514587402344	148.0
248.46133422851562	216.0
248.52664184570312	160.0
248.58712768554688	3528.0
248.6432647705078	96.0
248.72540283203125	192.0
248.80078125	184.0
248.836181640625	168.0
248.92578125	108.0
248.9706268310547	216.0
249.07347106933594	26220.0
249.18284606933594	324.0
249.22702026367188	132.0
249.2913818359375	152.0
249.40084838867188	112.0
249.44204711914062	100.0
249.46670532226562	248.0
249.5410614013672	128.0
249.86805725097656	184.0
249.9163055419922	164.0
249.99642944335938	192.0
250.0684051513672	10236.0
250.17147827148438	136.0
250.30728149414062	156.0
250.36517333984375	128.0
250.45187377929688	244.0
250.58404541015625	164.0
250.63388061523438	100.0
250.6779022216797	348.0
250.71896362304688	228.0
250.74575805664062	192.0
250.78109741210938	212.0
250.8179931640625	116.0
250.87376403808594	148.0
250.9044952392578	248.0
250.9668731689453	116.0
251.07229614257812	504.0
251.2216796875	184.0
251.34396362304688	176.0
251.63037109375	128.0
251.9151153564453	136.0
252.12786865234375	108.0
252.87318420410156	120.0
261.68304443359375	132.0
291.41607666015625	152.0
374.1485595703125	152.0
727.857666015625	140.0
873.6427612304688	140.0
1071.380615234375	208.0
1363.0281982421875	196.0
1404.0548095703125	140.0
1414.642333984375	144.0
1522.57275390625	148.0
1538.84716796875	144.0
1550.439697265625	188.0
1551.0040283203125	156.0
1556.9039306640625	200.0
1572.428955078125	224.0
1582.9986572265625	156.0
1584.9405517578125	136.0
1593.5322265625	148.0
1595.23291015625	156.0
1621.8538818359375	152.0
1625.8880615234375	152.0
1628.75439453125	152.0
1634.5267333984375	156.0
1634.7520751953125	160.0
1635.090087890625	144.0
1657.9127197265625	192.0
1659.2095947265625	240.0
1674.0543212890625	188.0
1686.495849609375	152.0
1694.9578857421875	164.0
1758.81396484375	204.0
1761.2020263671875	144.0
1769.1375732421875	224.0
1770.812255859375	160.0
1771.33984375	144.0
1771.86767578125	164.0
1774.0484619140625	160.0
1777.283935546875	180.0
1789.3448486328125	168.0
1792.4696044921875	192.0
1796.423828125	156.0
1806.7723388671875	180.0
1823.7489013671875	148.0
1836.04296875	168.0
1838.09033203125	168.0
1838.21826171875	144.0
1841.30859375	196.0
1842.91455078125	188.0
1856.9879150390625	144.0
1868.927978515625	152.0
1887.361083984375	156.0
1897.1790771484375	144.0
1900.7784423828125	160.0
1904.3551025390625	148.0
1916.9697265625	152.0
1918.0853271484375	188.0
1926.8118896484375	140.0
1930.2730712890625	180.0
1936.7930908203125	172.0
1948.6182861328125	184.0
1951.747314453125	156.0
1969.8759765625	156.0
1972.4296875	160.0
1974.3482666015625	180.0
1977.8607177734375	180.0
1979.516357421875	220.0
1984.6024169921875	148.0
1988.052978515625	176.0
1996.946044921875	204.0
2000.1580810546875	160.0
2000.496337890625	152.0
2001.0216064453125	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079052
PEPMASS=368.051453
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3
INCHI=InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1
INCHIAUX=QYIYFLOTGYLRGG-GPCCPHFNSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079052
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079052
SCANS=1000
45.57801818847656	140.0
48.11430358886719	164.0
48.54600143432617	180.0
57.896453857421875	152.0
58.57842254638672	180.0
69.63213348388672	208.0
74.01721954345703	196.0
79.232666015625	180.0
80.77252197265625	144.0
87.73513793945312	140.0
91.0525894165039	184.0
97.4984130859375	184.0
98.22296142578125	168.0
99.35647583007812	172.0
103.05245971679688	148.0
103.33551025390625	152.0
104.55242919921875	164.0
105.05831909179688	156.0
106.06570434570312	3856.0
107.06631469726562	480.0
113.99915313720703	284.0
115.0550308227539	160.0
117.05941772460938	144.0
118.04046630859375	776.0
118.06446838378906	392.0
119.04733276367188	144.0
119.07035064697266	412.0
121.01654052734375	140.0
123.02637481689453	440.0
128.05087280273438	248.0
128.06973266601562	184.0
128.88186645507812	188.0
130.06175231933594	144.0
132.97415161132812	148.0
133.0522003173828	180.0
134.0596466064453	144.0
134.07577514648438	164.0
137.03720092773438	152.0
137.0558319091797	180.0
138.0221710205078	272.0
143.9750518798828	220.0
145.08047485351562	248.0
146.0145263671875	188.0
146.05746459960938	572.0
146.77548217773438	172.0
147.02784729003906	248.0
147.06256103515625	312.0
148.3663787841797	168.0
150.03659057617188	636.0
151.04017639160156	148.0
151.60328674316406	152.0
157.07992553710938	180.0
157.99671936035156	168.0
158.06407165527344	204.0
159.96142578125	512.0
160.96253967285156	168.0
161.95794677734375	332.0
161.97811889648438	144.0
162.0384063720703	132.0
163.0843048095703	276.0
164.0272979736328	152.0
164.05517578125	572.0
164.56558227539062	152.0
164.79034423828125	168.0
164.93600463867188	156.0
165.05873107910156	200.0
166.08055114746094	204.0
169.0769500732422	168.0
174.05479431152344	6896.0
174.27520751953125	104.0
175.05780029296875	1084.0
176.0415496826172	196.0
177.97393798828125	812.0
177.99822998046875	188.0
178.03091430664062	752.0
179.97120666503906	260.0
182.07896423339844	164.0
183.10093688964844	216.0
184.0987548828125	164.0
189.52561950683594	164.0
189.9750518798828	168.0
190.02915954589844	172.0
190.10031127929688	396.0
191.0397491455078	2044.0
191.0811767578125	676.0
191.96925354003906	152.0
192.0484161376953	1884.0
192.1127166748047	188.0
193.0532684326172	308.0
193.10433959960938	148.0
194.051513671875	324.0
197.02371215820312	172.0
198.03631591796875	196.0
200.0472412109375	152.0
201.97406005859375	144.0
203.00779724121094	156.0
204.98060607910156	164.0
205.03759765625	200.0
205.98873901367188	256.0
207.060302734375	408.0
213.039794921875	176.0
215.0665283203125	180.0
217.00596618652344	164.0
218.02369689941406	156.0
218.04803466796875	168.0
219.0247802734375	140.0
219.0690460205078	140.0
225.04847717285156	240.0
232.9742431640625	332.0
233.98175048828125	144.0
234.98057556152344	396.0
235.05535888671875	196.0
236.05960083007812	208.0
243.05812072753906	144.0
243.09243774414062	200.0
244.7865753173828	172.0
245.72789001464844	160.0
249.84768676757812	164.0
260.08221435546875	192.0
261.0827331542969	160.0
262.00164794921875	132.0
264.07562255859375	144.0
266.5263977050781	152.0
269.1158447265625	164.0
272.04425048828125	124.0
272.9823303222656	176.0
279.028564453125	160.0
280.0148620605469	176.0
289.04547119140625	176.0
290.04791259765625	168.0
295.0315246582031	144.0
304.0805358886719	148.0
305.0079040527344	196.0
307.0306396484375	128.0
308.02862548828125	124.0
310.02325439453125	196.0
323.0266418457031	444.0
324.0360107421875	188.0
325.0180969238281	160.0
335.9505615234375	152.0
342.95062255859375	156.0
353.017822265625	208.0
366.9986572265625	156.0
368.04461669921875	376.0
370.04034423828125	300.0
371.00921630859375	200.0
371.1570739746094	260.0
478.8350830078125	152.0
635.310791015625	144.0
1629.3458251953125	212.0
1723.4622802734375	260.0
1729.5689697265625	192.0
1756.8497314453125	200.0
1867.8067626953125	148.0
1886.467041015625	180.0
1912.811767578125	188.0
1932.6224365234375	252.0
1949.6339111328125	148.0
1949.9503173828125	140.0
1961.7449951171875	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079053
PEPMASS=246.175705
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Pinacidil monohydrate [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(N=C(NC#N)Nc1ccncc1)C(C)(C)C
INCHI=InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)
INCHIAUX=IVVNZDGDKPTYHK-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079053
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079053
SCANS=1060
45.08218002319336	180.0
46.405391693115234	148.0
46.54243087768555	204.0
46.69191360473633	152.0
46.932945251464844	160.0
47.03662872314453	224.0
47.1869010925293	140.0
47.71199035644531	196.0
48.15017318725586	172.0
48.46419143676758	184.0
49.300498962402344	152.0
50.25818634033203	180.0
51.6167106628418	152.0
51.724876403808594	164.0
51.982852935791016	144.0
52.71294021606445	144.0
52.93716049194336	164.0
54.10491180419922	148.0
54.49209213256836	232.0
54.531768798828125	144.0
54.96915817260742	148.0
55.00605773925781	144.0
55.14046859741211	180.0
55.9325065612793	176.0
56.977813720703125	256.0
57.46259689331055	148.0
58.230072021484375	200.0
59.3670539855957	152.0
59.603450775146484	216.0
60.21503448486328	152.0
60.27373504638672	188.0
60.44382858276367	256.0
60.558387756347656	148.0
63.50203323364258	200.0
65.43563079833984	148.0
65.98579406738281	160.0
66.4879379272461	212.0
68.74473571777344	140.0
68.78269958496094	172.0
69.15294647216797	184.0
69.94966888427734	176.0
70.50341033935547	208.0
71.63912200927734	156.0
72.28937530517578	160.0
72.48580169677734	184.0
72.50614166259766	196.0
73.37644958496094	164.0
73.40713500976562	164.0
73.71611022949219	160.0
73.73149108886719	204.0
74.18547058105469	192.0
74.63661193847656	140.0
76.78572082519531	236.0
76.93403625488281	152.0
77.10346221923828	172.0
77.37283325195312	152.0
77.85853576660156	148.0
79.30172729492188	176.0
80.0799331665039	160.0
80.74564361572266	140.0
81.11807250976562	180.0
82.657958984375	140.0
84.51395416259766	140.0
84.97200012207031	244.0
87.15811920166016	192.0
90.35308837890625	152.0
91.00885772705078	184.0
92.26631927490234	144.0
92.35619354248047	152.0
92.49970245361328	216.0
92.681640625	156.0
93.04357147216797	316.0
93.19586181640625	176.0
93.79244232177734	180.0
94.57278442382812	144.0
94.94282531738281	148.0
95.06069946289062	11224.0
96.06405639648438	800.0
96.26419067382812	184.0
96.4947509765625	168.0
96.52994537353516	140.0
96.7138442993164	160.0
97.80320739746094	148.0
98.29113006591797	172.0
98.6395492553711	176.0
98.74829864501953	216.0
99.32070922851562	204.0
99.66415405273438	200.0
99.85101318359375	324.0
100.11090850830078	532.0
100.14358520507812	228.0
101.43235778808594	164.0
101.61083984375	180.0
102.12989044189453	412.0
102.83228302001953	192.0
103.12716674804688	148.0
104.7463607788086	144.0
105.04397583007812	240.0
105.10926055908203	180.0
105.55660247802734	172.0
105.67005920410156	128.0
108.71046447753906	164.0
108.7872543334961	192.0
109.59627532958984	148.0
111.04496765136719	208.0
112.06028747558594	164.0
113.05482482910156	176.0
113.67997741699219	200.0
114.07926940917969	164.0
114.24089050292969	188.0
114.73921966552734	160.0
115.60855102539062	152.0
117.73468017578125	184.0
117.99181365966797	152.0
118.03938293457031	160.0
118.34880065917969	164.0
119.06005096435547	160.0
119.51200866699219	236.0
119.94121551513672	160.0
119.99314880371094	160.0
120.03376007080078	232.0
120.05615997314453	52544.0
120.11603546142578	132.0
120.15870666503906	152.0
120.2051010131836	172.0
121.03279113769531	104.0
121.05966186523438	2888.0
121.57498931884766	152.0
121.86044311523438	144.0
121.995849609375	124.0
122.03022766113281	160.0
122.0616226196289	128.0
122.62181854248047	152.0
122.78276062011719	236.0
127.0064926147461	168.0
127.12284851074219	1248.0
128.8456268310547	208.0
132.08277893066406	164.0
133.90982055664062	184.0
136.15086364746094	156.0
138.24197387695312	152.0
138.80416870117188	164.0
139.86370849609375	168.0
141.48544311523438	192.0
143.95823669433594	172.0
145.0156707763672	256.0
145.0509796142578	15144.0
145.0947723388672	216.0
145.3085174560547	160.0
146.05401611328125	1044.0
147.064697265625	552.0
148.07308959960938	152.0
148.37969970703125	124.0
148.42205810546875	216.0
151.11837768554688	140.0
152.1234130859375	156.0
152.51864624023438	148.0
152.59976196289062	168.0
152.94700622558594	132.0
156.01649475097656	152.0
159.1595458984375	152.0
162.07725524902344	5928.0
163.07933044433594	740.0
163.29644775390625	200.0
164.02857971191406	140.0
164.0756378173828	168.0
170.5915985107422	140.0
170.65919494628906	184.0
171.0936737060547	184.0
174.13739013671875	152.0
175.8513641357422	160.0
176.4166259765625	188.0
177.14170837402344	168.0
177.43321228027344	172.0
178.3676300048828	152.0
180.12362670898438	176.0
181.92581176757812	144.0
189.1311492919922	228.0
189.43235778808594	148.0
191.6411590576172	172.0
192.05467224121094	164.0
197.2555389404297	160.0
202.08145141601562	156.0
202.13343811035156	1476.0
203.14382934570312	172.0
208.85498046875	140.0
211.09197998046875	160.0
212.49386596679688	156.0
213.12681579589844	164.0
218.45367431640625	220.0
225.3346405029297	192.0
225.4720916748047	184.0
225.99838256835938	168.0
227.61997985839844	176.0
237.0727081298828	148.0
240.99600219726562	188.0
241.6205291748047	188.0
243.12020874023438	140.0
244.4813690185547	144.0
245.14466857910156	156.0
245.4642333984375	116.0
245.74745178222656	140.0
245.84458923339844	160.0
245.89895629882812	120.0
245.98443603515625	172.0
246.0467071533203	296.0
246.1288604736328	484.0
246.17214965820312	97504.0
246.47946166992188	100.0
246.5611572265625	300.0
246.59584045410156	140.0
246.68421936035156	180.0
246.744873046875	292.0
246.7831573486328	204.0
246.84515380859375	100.0
246.8903350830078	140.0
246.92147827148438	128.0
247.06488037109375	108.0
247.1736297607422	11952.0
247.28887939453125	108.0
247.40684509277344	132.0
248.0667266845703	1808.0
248.17674255371094	856.0
248.49610900878906	100.0
248.76336669921875	152.0
248.7978973388672	144.0
248.94921875	120.0
249.04421997070312	168.0
249.07412719726562	272.0
249.13926696777344	376.0
250.04000854492188	144.0
257.4826354980469	104.0
258.1212463378906	112.0
260.2995910644531	188.0
261.1805725097656	188.0
335.85186767578125	156.0
372.0831604003906	168.0
975.3778076171875	216.0
1105.2767333984375	144.0
1137.2991943359375	204.0
1142.9779052734375	220.0
1296.4910888671875	144.0
1353.8846435546875	216.0
1357.61474609375	160.0
1384.9801025390625	148.0
1402.9031982421875	168.0
1413.9278564453125	148.0
1420.783935546875	240.0
1432.239990234375	200.0
1439.9180908203125	156.0
1445.0574951171875	200.0
1460.1002197265625	144.0
1461.3553466796875	172.0
1464.9639892578125	168.0
1468.622802734375	156.0
1494.9393310546875	200.0
1504.1417236328125	144.0
1522.6544189453125	200.0
1536.20556640625	168.0
1563.6455078125	240.0
1570.5	148.0
1587.067626953125	140.0
1593.2183837890625	176.0
1614.5001220703125	152.0
1615.14794921875	156.0
1618.9736328125	172.0
1625.843994140625	204.0
1657.673583984375	168.0
1699.50439453125	200.0
1705.97607421875	184.0
1707.15185546875	224.0
1731.6129150390625	172.0
1736.0052490234375	160.0
1751.64697265625	168.0
1751.77197265625	156.0
1759.41064453125	140.0
1768.3212890625	184.0
1775.794677734375	152.0
1775.987548828125	180.0
1798.596435546875	228.0
1804.1124267578125	164.0
1805.1270751953125	276.0
1808.92578125	184.0
1812.74560546875	160.0
1813.779541015625	232.0
1816.357177734375	232.0
1858.8363037109375	228.0
1877.3206787109375	200.0
1877.5208740234375	180.0
1878.995849609375	160.0
1884.9276123046875	176.0
1891.37060546875	188.0
1894.3406982421875	156.0
1904.0811767578125	148.0
1909.31298828125	148.0
1917.017333984375	152.0
1923.794189453125	160.0
1933.3912353515625	148.0
1939.276611328125	240.0
1939.671142578125	192.0
1966.3746337890625	164.0
1966.7894287109375	156.0
1968.97900390625	144.0
1969.4913330078125	144.0
1980.680419921875	172.0
1982.23974609375	228.0
1982.567626953125	168.0
1984.242919921875	204.0
1996.114013671875	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079054
PEPMASS=377.217255
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
INCHI=InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1
INCHIAUX=VWVSBHGCDBMOOT-IIEHVVJPSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079054
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079054
SCANS=1303
47.72443771362305	184.0
48.0977783203125	140.0
48.807106018066406	168.0
51.11696243286133	188.0
51.324928283691406	152.0
51.4947509765625	140.0
51.88396453857422	160.0
51.91837692260742	180.0
52.20703125	188.0
52.41720199584961	204.0
53.3565673828125	196.0
53.71043395996094	168.0
54.36296081542969	164.0
54.734867095947266	304.0
54.883689880371094	152.0
55.66349411010742	184.0
56.20830535888672	188.0
56.46226119995117	152.0
56.604427337646484	152.0
57.627254486083984	144.0
58.03743362426758	152.0
58.290924072265625	180.0
58.446022033691406	212.0
58.47037124633789	144.0
59.08224868774414	144.0
59.2215461730957	152.0
60.611148834228516	156.0
61.19049835205078	216.0
61.304203033447266	160.0
61.3752555847168	184.0
61.54910659790039	148.0
61.814842224121094	168.0
62.68794631958008	164.0
63.00035095214844	204.0
63.47040939331055	184.0
63.93267059326172	148.0
64.3806381225586	156.0
64.7404556274414	152.0
65.04669189453125	228.0
65.2635726928711	152.0
65.47166442871094	164.0
66.2302474975586	192.0
66.5757064819336	184.0
68.70524597167969	164.0
69.48446655273438	160.0
69.72689819335938	156.0
70.3394546508789	140.0
71.3819351196289	288.0
72.6317138671875	156.0
72.98665618896484	188.0
73.06659698486328	176.0
73.50447845458984	148.0
74.09949493408203	148.0
75.56120300292969	156.0
77.17350006103516	148.0
77.51832580566406	172.0
78.02558135986328	172.0
78.90885925292969	192.0
79.02205657958984	148.0
79.67626190185547	168.0
79.78289031982422	164.0
80.24848937988281	260.0
80.96410369873047	152.0
81.02500915527344	184.0
81.59751892089844	148.0
83.16007232666016	188.0
83.6253662109375	248.0
84.38422393798828	140.0
85.11161804199219	140.0
85.93989562988281	188.0
86.00448608398438	192.0
86.24275970458984	156.0
86.32965087890625	148.0
87.14710235595703	160.0
87.94973754882812	228.0
87.99266815185547	236.0
89.12206268310547	156.0
89.92805480957031	212.0
89.9450454711914	160.0
90.07344818115234	144.0
90.50084686279297	156.0
90.68270874023438	164.0
90.89700317382812	212.0
91.05181121826172	380.0
91.60616302490234	144.0
92.15369415283203	216.0
92.29322052001953	148.0
92.77377319335938	180.0
93.07037353515625	356.0
93.13068389892578	172.0
93.53062438964844	152.0
94.82664489746094	184.0
94.92745971679688	176.0
94.9604263305664	140.0
95.08645629882812	1280.0
96.09148406982422	188.0
97.06523132324219	752.0
97.8368148803711	148.0
98.53693389892578	204.0
98.90673065185547	208.0
99.08206176757812	216.0
99.13449096679688	156.0
99.4954833984375	168.0
99.62655639648438	260.0
100.05213165283203	160.0
101.02800750732422	160.0
101.05744934082031	340.0
102.71138000488281	176.0
103.05391693115234	252.0
103.27896118164062	248.0
103.58055877685547	160.0
103.69807434082031	152.0
104.21757507324219	140.0
104.73633575439453	196.0
105.070068359375	1992.0
105.17676544189453	200.0
106.07149505615234	184.0
107.0341796875	232.0
107.04782104492188	172.0
107.08605194091797	1168.0
107.74161529541016	172.0
108.01655578613281	180.0
108.09107208251953	300.0
108.79364776611328	144.0
109.06576538085938	296.0
109.10123443603516	2772.0
110.06784057617188	172.0
110.10660552978516	128.0
110.62397003173828	160.0
110.85855102539062	228.0
111.04513549804688	180.0
111.0786361694336	472.0
111.26966094970703	148.0
112.28178405761719	244.0
112.46956634521484	148.0
113.44047546386719	184.0
113.99017333984375	144.0
114.43472290039062	164.0
114.9057388305664	140.0
115.05496978759766	196.0
115.0768051147461	740.0
115.10154724121094	216.0
116.07981872558594	340.0
116.25804901123047	148.0
117.07036590576172	636.0
118.5439224243164	200.0
119.0853042602539	1128.0
119.34489440917969	188.0
120.0903091430664	148.0
120.5787124633789	148.0
120.88706970214844	196.0
121.06534576416016	3304.0
121.10037231445312	2716.0
121.139892578125	160.0
122.06881713867188	556.0
122.10662078857422	304.0
122.55187225341797	136.0
123.08146667480469	224.0
123.11803436279297	540.0
123.90361785888672	220.0
124.08671569824219	156.0
124.1208267211914	140.0
124.18437957763672	176.0
125.05778503417969	744.0
125.97923278808594	200.0
126.05743408203125	156.0
126.15130615234375	196.0
127.05628204345703	188.0
128.03379821777344	160.0
128.06280517578125	1376.0
128.68321228027344	140.0
128.75096130371094	180.0
128.77354431152344	184.0
129.0705108642578	1088.0
129.40670776367188	148.0
130.0777587890625	168.0
130.9417724609375	164.0
131.04978942871094	280.0
131.08602905273438	1432.0
131.114013671875	132.0
131.8360595703125	216.0
132.0576629638672	628.0
132.08717346191406	160.0
133.06736755371094	368.0
133.1015167236328	1656.0
134.05746459960938	204.0
134.10426330566406	168.0
134.3479766845703	188.0
135.08001708984375	2320.0
135.1143798828125	652.0
135.24453735351562	160.0
135.42514038085938	188.0
136.0866241455078	280.0
136.11831665039062	180.0
136.86961364746094	164.0
136.9022216796875	180.0
137.0973358154297	1564.0
137.5760498046875	204.0
138.012939453125	252.0
138.0640106201172	152.0
138.09820556640625	252.0
139.0775909423828	304.0
139.1100311279297	328.0
139.86627197265625	172.0
140.2949981689453	232.0
140.40817260742188	152.0
140.58274841308594	160.0
141.06968688964844	748.0
141.09048461914062	196.0
141.67747497558594	240.0
142.0771026611328	1072.0
142.50546264648438	228.0
142.66468811035156	152.0
143.08447265625	1836.0
143.31358337402344	200.0
143.35731506347656	192.0
143.74362182617188	144.0
143.79095458984375	168.0
144.05799865722656	252.0
144.08819580078125	324.0
144.81703186035156	184.0
145.064208984375	812.0
145.1007843017578	1292.0
146.0159912109375	100.0
146.07493591308594	824.0
146.10025024414062	188.0
146.16619873046875	204.0
146.18304443359375	196.0
146.7707977294922	216.0
146.91122436523438	196.0
147.0809326171875	21632.0
147.11929321289062	220.0
147.97804260253906	184.0
148.08468627929688	2160.0
149.05694580078125	144.0
149.0957489013672	880.0
149.1334991455078	172.0
150.1007537841797	288.0
150.82513427734375	168.0
151.0769500732422	344.0
151.1111297607422	416.0
152.060546875	312.0
152.51148986816406	140.0
153.0894775390625	440.0
154.07012939453125	176.0
154.6251983642578	152.0
155.0865020751953	1844.0
155.9783477783203	172.0
156.0902557373047	248.0
156.84815979003906	168.0
157.07118225097656	516.0
157.10220336914062	1312.0
157.22227478027344	160.0
158.05189514160156	160.0
158.07322692871094	828.0
158.10296630859375	188.0
158.21958923339844	168.0
158.5757598876953	188.0
158.6028594970703	188.0
158.9740447998047	224.0
159.0802764892578	4404.0
159.11973571777344	192.0
159.33058166503906	152.0
160.08477783203125	448.0
160.1229248046875	196.0
161.09654235839844	4412.0
162.10336303710938	560.0
162.13645935058594	144.0
162.24545288085938	148.0
162.73764038085938	196.0
163.07504272460938	892.0
163.1119842529297	844.0
163.14158630371094	176.0
164.0758819580078	144.0
165.06631469726562	196.0
165.0919647216797	600.0
165.14599609375	176.0
166.07814025878906	144.0
166.09866333007812	140.0
167.10682678222656	2900.0
167.2292022705078	220.0
167.4668426513672	132.0
168.05743408203125	160.0
168.1039581298828	388.0
169.0690155029297	320.0
169.10174560546875	664.0
170.07057189941406	848.0
170.1090545654297	284.0
170.32679748535156	156.0
171.04136657714844	172.0
171.08071899414062	23884.0
171.11244201660156	788.0
171.7766876220703	160.0
172.0350341796875	192.0
172.08433532714844	2476.0
172.1190185546875	140.0
172.15513610839844	196.0
173.09617614746094	7708.0
173.12957763671875	304.0
174.09823608398438	1152.0
175.1116485595703	676.0
175.32943725585938	176.0
176.0760498046875	168.0
176.11038208007812	404.0
176.87452697753906	168.0
176.9115753173828	180.0
177.09043884277344	508.0
177.1280517578125	516.0
178.07789611816406	328.0
179.10585021972656	1968.0
180.09158325195312	692.0
180.11485290527344	308.0
181.06756591796875	348.0
181.10255432128906	256.0
181.1219024658203	440.0
181.8804473876953	220.0
182.02005004882812	164.0
182.0726318359375	424.0
182.11387634277344	196.0
182.12232971191406	272.0
182.60589599609375	180.0
183.08421325683594	296.0
183.1143341064453	892.0
183.14149475097656	148.0
184.08541870117188	156.0
184.1286163330078	184.0
184.2501678466797	176.0
184.30865478515625	112.0
185.09629821777344	6664.0
186.10223388671875	896.0
187.07554626464844	916.0
187.11111450195312	1780.0
188.07798767089844	128.0
188.10903930664062	236.0
188.532470703125	176.0
188.99545288085938	116.0
189.04112243652344	184.0
189.09259033203125	984.0
190.07945251464844	568.0
191.08460998535156	860.0
191.13206481933594	172.0
192.09432983398438	484.0
193.1025390625	900.0
193.57688903808594	144.0
194.07492065429688	144.0
194.1056365966797	148.0
195.0792236328125	944.0
195.1165008544922	776.0
195.41802978515625	176.0
196.08587646484375	776.0
196.1240997314453	124.0
196.77890014648438	144.0
197.09584045410156	1968.0
197.11614990234375	2040.0
198.10256958007812	312.0
199.11158752441406	1460.0
200.11770629882812	144.0
200.21591186523438	148.0
200.480712890625	196.0
201.058837890625	140.0
201.0888214111328	468.0
201.1245880126953	216.0
201.58409118652344	168.0
202.13339233398438	188.0
203.08456420898438	144.0
203.10888671875	296.0
203.1383819580078	148.0
204.0963592529297	476.0
205.10311889648438	656.0
206.03074645996094	188.0
206.07496643066406	100.0
206.10699462890625	168.0
207.11595153808594	1184.0
207.89450073242188	260.0
208.08871459960938	1176.0
208.1229248046875	152.0
208.46905517578125	208.0
209.0959930419922	1152.0
209.1336212158203	988.0
210.0496826171875	144.0
210.10287475585938	1076.0
210.13735961914062	136.0
210.93328857421875	220.0
211.0704803466797	184.0
211.11155700683594	1528.0
211.14346313476562	316.0
211.28318786621094	172.0
211.34683227539062	152.0
212.0795135498047	340.0
212.11785888671875	904.0
212.15330505371094	140.0
213.09396362304688	744.0
213.12620544433594	1608.0
213.67665100097656	168.0
214.0963897705078	176.0
215.1073760986328	284.0
215.9080810546875	168.0
216.04556274414062	160.0
216.09100341796875	164.0
216.111572265625	144.0
216.14796447753906	144.0
216.9856414794922	208.0
217.09756469726562	140.0
217.1217498779297	160.0
218.1055145263672	308.0
218.16287231445312	176.0
219.07760620117188	152.0
219.1211700439453	660.0
219.69125366210938	148.0
220.1265411376953	288.0
221.0975341796875	552.0
221.13075256347656	684.0
222.10476684570312	1472.0
222.1376953125	276.0
222.54721069335938	196.0
223.07345581054688	156.0
223.1115264892578	3128.0
223.14552307128906	248.0
223.76025390625	140.0
223.94786071777344	144.0
224.0819091796875	180.0
224.11746215820312	1148.0
224.80348205566406	168.0
225.09231567382812	296.0
225.12841796875	3420.0
225.8102569580078	204.0
226.1329345703125	2216.0
227.10546875	600.0
227.14410400390625	704.0
227.7254180908203	144.0
228.10580444335938	128.0
228.85009765625	152.0
229.09788513183594	148.0
229.16258239746094	364.0
230.10829162597656	256.0
230.81436157226562	156.0
231.0767364501953	188.0
231.1150360107422	380.0
231.97694396972656	152.0
232.12521362304688	296.0
232.51077270507812	180.0
233.09567260742188	244.0
233.13380432128906	376.0
233.3351287841797	184.0
234.1041259765625	432.0
234.1376495361328	120.0
234.7955322265625	220.0
235.11312866210938	2308.0
235.14869689941406	680.0
236.11781311035156	544.0
236.1533203125	612.0
236.89715576171875	156.0
237.0906982421875	196.0
237.12733459472656	5492.0
237.16390991210938	776.0
237.7112274169922	192.0
237.7753448486328	188.0
238.1304168701172	1184.0
238.15994262695312	188.0
238.438720703125	152.0
239.1040802001953	440.0
239.14356994628906	4656.0
240.05799865722656	188.0
240.14871215820312	592.0
240.85426330566406	168.0
240.99327087402344	140.0
241.1204833984375	484.0
241.15719604492188	392.0
242.11643981933594	164.0
242.16705322265625	196.0
243.11903381347656	268.0
243.54281616210938	152.0
244.12367248535156	288.0
244.62489318847656	176.0
244.85218811035156	144.0
245.0968017578125	292.0
245.13168334960938	596.0
245.82171630859375	176.0
246.10264587402344	476.0
246.14048767089844	168.0
246.79627990722656	148.0
246.84629821777344	180.0
246.96597290039062	120.0
247.1114501953125	836.0
247.14968872070312	416.0
248.11907958984375	956.0
248.15182495117188	296.0
248.5063934326172	160.0
248.67271423339844	196.0
249.12619018554688	968.0
249.1560821533203	416.0
250.09335327148438	160.0
250.13809204101562	1188.0
251.10708618164062	488.0
251.14157104492188	1036.0
252.11318969726562	124.0
252.14796447753906	284.0
252.40896606445312	152.0
252.52281188964844	156.0
253.05758666992188	200.0
253.12367248535156	716.0
253.163330078125	612.0
254.10665893554688	160.0
254.13088989257812	296.0
254.166259765625	168.0
255.1327362060547	400.0
255.18377685546875	112.0
255.57135009765625	144.0
256.140625	196.0
257.12762451171875	460.0
257.1522216796875	440.0
257.9248962402344	156.0
258.1016540527344	248.0
258.1279602050781	180.0
258.1563415527344	144.0
259.1094970703125	1244.0
259.1489562988281	412.0
259.8164367675781	116.0
260.11822509765625	636.0
260.150390625	192.0
260.1932678222656	192.0
260.2410888671875	164.0
261.1263122558594	1480.0
261.1612854003906	656.0
262.1337585449219	1468.0
262.1669921875	352.0
262.9547424316406	160.0
263.14263916015625	1292.0
263.1810607910156	1168.0
264.1162414550781	148.0
264.1466369628906	180.0
264.1851501464844	240.0
265.1210021972656	516.0
265.15814208984375	2216.0
266.1276550292969	260.0
266.16033935546875	688.0
266.237548828125	220.0
266.3822021484375	104.0
266.67938232421875	216.0
267.1287536621094	156.0
267.17327880859375	276.0
268.17657470703125	156.0
269.1291198730469	176.0
269.18707275390625	284.0
270.139892578125	288.0
271.039306640625	140.0
271.13555908203125	628.0
271.64874267578125	136.0
272.1428527832031	324.0
273.054931640625	180.0
273.1268615722656	1044.0
273.1654357910156	124.0
274.1329345703125	1040.0
275.14349365234375	896.0
275.1784362792969	600.0
276.1561279296875	168.0
277.0919494628906	144.0
277.1596984863281	2932.0
277.1993103027344	132.0
277.261962890625	172.0
277.6587829589844	216.0
278.1616516113281	1248.0
279.1380310058594	632.0
279.1748962402344	6896.0
280.17730712890625	2160.0
281.15814208984375	640.0
281.1893310546875	1564.0
281.5491943359375	144.0
282.15631103515625	128.0
282.19415283203125	316.0
282.29107666015625	172.0
283.13604736328125	236.0
283.1717834472656	172.0
283.42584228515625	152.0
285.16876220703125	268.0
286.17449951171875	148.0
287.1412353515625	180.0
287.1775207519531	152.0
288.1506042480469	1764.0
289.0186462402344	164.0
289.15673828125	328.0
289.64495849609375	144.0
290.1638488769531	496.0
290.7298889160156	180.0
291.1746826171875	1416.0
292.14227294921875	272.0
292.1794128417969	576.0
293.1900329589844	2420.0
293.6625061035156	180.0
294.06170654296875	140.0
294.1943664550781	416.0
295.1748046875	1076.0
296.1669616699219	260.0
296.8361511230469	200.0
297.15283203125	432.0
297.1900939941406	512.0
298.16131591796875	204.0
298.19488525390625	292.0
299.1501770019531	156.0
299.17681884765625	264.0
300.2026672363281	164.0
301.161376953125	136.0
302.1624755859375	132.0
302.3756408691406	172.0
303.17474365234375	11896.0
303.3593444824219	212.0
304.17633056640625	2208.0
304.2578430175781	176.0
305.17852783203125	244.0
306.164306640625	156.0
306.22247314453125	140.0
308.1761474609375	96.0
309.1900939941406	396.0
310.18475341796875	272.0
311.0195617675781	164.0
311.1973876953125	1260.0
311.2365417480469	204.0
312.20452880859375	272.0
313.1805419921875	1156.0
314.1904602050781	208.0
320.5901794433594	216.0
320.7672424316406	148.0
321.1852722167969	12168.0
322.1874694824219	2888.0
323.18743896484375	804.0
324.17083740234375	288.0
325.3185729980469	208.0
326.9377136230469	100.0
327.20245361328125	148.0
329.2146911621094	388.0
330.2178955078125	260.0
331.52593994140625	204.0
336.07806396484375	124.0
336.7538757324219	212.0
337.09320068359375	168.0
337.18865966796875	276.0
338.0407409667969	140.0
338.0855712890625	176.0
338.3615417480469	164.0
338.375732421875	268.0
338.4271545410156	120.0
338.7316589355469	140.0
338.9135437011719	120.0
339.0263366699219	136.0
339.132080078125	164.0
339.1974182128906	90108.0
339.3315124511719	140.0
339.3617248535156	100.0
339.54638671875	128.0
339.6077575683594	108.0
339.8028869628906	188.0
339.8414306640625	128.0
339.9804992675781	132.0
340.20013427734375	13752.0
340.39483642578125	120.0
340.8404846191406	108.0
341.20281982421875	2408.0
341.6684875488281	120.0
341.9512939453125	104.0
341.9981994628906	168.0
342.1853942871094	152.0
342.2012939453125	180.0
342.2860107421875	104.0
342.3901672363281	196.0
343.23492431640625	116.0
343.43463134765625	132.0
349.98968505859375	284.0
352.1733703613281	96.0
353.9925537109375	168.0
355.89739990234375	144.0
356.08892822265625	152.0
356.97833251953125	168.0
357.0531311035156	112.0
357.1071472167969	200.0
357.2067565917969	31328.0
357.69964599609375	144.0
358.209228515625	5380.0
358.3132629394531	96.0
358.42279052734375	168.0
358.62127685546875	120.0
359.2082214355469	1488.0
360.2129821777344	204.0
360.2760009765625	176.0
360.57135009765625	116.0
361.2139587402344	228.0
362.2181396484375	176.0
371.9033203125	172.0
372.6080017089844	156.0
377.2134094238281	2900.0
378.21343994140625	912.0
379.19677734375	228.0
379.2278747558594	180.0
381.26922607421875	160.0
695.6287231445312	140.0
723.155517578125	148.0
1039.0093994140625	196.0
1045.6083984375	180.0
1153.020751953125	188.0
1219.0140380859375	200.0
1245.63330078125	148.0
1248.5711669921875	148.0
1254.950927734375	172.0
1293.57080078125	140.0
1352.890869140625	160.0
1353.45458984375	164.0
1379.92041015625	144.0
1406.2320556640625	192.0
1425.3057861328125	208.0
1429.9908447265625	196.0
1454.7381591796875	200.0
1478.6260986328125	140.0
1510.325439453125	196.0
1528.0201416015625	168.0
1544.5045166015625	160.0
1549.9210205078125	176.0
1584.81103515625	176.0
1594.611328125	180.0
1596.765869140625	148.0
1599.025390625	176.0
1609.9554443359375	236.0
1615.5743408203125	204.0
1637.13330078125	144.0
1645.0911865234375	192.0
1645.3092041015625	160.0
1664.65234375	168.0
1697.7022705078125	184.0
1710.4041748046875	156.0
1717.20166015625	188.0
1734.755859375	180.0
1740.7294921875	180.0
1756.442626953125	204.0
1767.93896484375	188.0
1781.47998046875	168.0
1783.3284912109375	192.0
1803.2783203125	148.0
1810.4017333984375	160.0
1829.1142578125	152.0
1832.4525146484375	160.0
1839.5478515625	240.0
1842.246337890625	204.0
1870.6910400390625	180.0
1874.721923828125	192.0
1895.5130615234375	156.0
1902.44287109375	152.0
1903.0333251953125	144.0
1909.5679931640625	144.0
1917.935302734375	160.0
1918.6500244140625	176.0
1923.369384765625	176.0
1924.5303955078125	188.0
1925.6044921875	184.0
1941.0679931640625	176.0
1945.59521484375	144.0
1951.683837890625	144.0
1960.0986328125	148.0
1966.5540771484375	152.0
1969.9801025390625	188.0
1972.15380859375	244.0
1977.965087890625	144.0
1982.8719482421875	172.0
1984.183837890625	160.0
1994.2843017578125	188.0
1998.9190673828125	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079055
PEPMASS=392.181732
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="2H-Indol-2-one, 1,3-dihydro-1-phenyl-3,3-bis(4-pyridinylmethyl)- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=O=C1N(c2ccccc2C1(Cc3ccncc3)Cc4ccncc4)c5ccccc5
INCHI=InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
INCHIAUX=YEJCDKJIEMIWRQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079055
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079055
SCANS=1004
45.260162353515625	148.0
45.60225296020508	172.0
45.67216873168945	180.0
45.7044563293457	164.0
46.88121795654297	392.0
47.635108947753906	228.0
48.68621063232422	164.0
49.92160415649414	156.0
54.531856536865234	152.0
54.656856536865234	172.0
55.03862380981445	156.0
55.99810791015625	216.0
56.49517059326172	192.0
57.66654586791992	200.0
58.72481155395508	192.0
61.899375915527344	152.0
64.15406799316406	156.0
64.46690368652344	148.0
69.24576568603516	156.0
69.50769805908203	176.0
69.81066131591797	136.0
69.82498931884766	184.0
70.18802642822266	172.0
70.6908187866211	208.0
72.40121459960938	156.0
77.65858459472656	212.0
78.80282592773438	160.0
78.87364196777344	248.0
80.27074432373047	140.0
80.81016540527344	188.0
81.52922058105469	224.0
82.00074005126953	160.0
82.302001953125	152.0
84.0299072265625	268.0
84.96295928955078	160.0
88.09725952148438	200.0
88.64733123779297	256.0
91.88831329345703	188.0
92.04841613769531	764.0
93.05738830566406	8500.0
93.09036254882812	220.0
94.01245880126953	140.0
94.06192779541016	1084.0
95.07028198242188	164.0
96.88631439208984	164.0
97.02153778076172	144.0
99.40220642089844	216.0
100.215087890625	132.0
100.78585052490234	160.0
102.19364166259766	240.0
103.12934875488281	140.0
104.72004699707031	156.0
105.81253051757812	216.0
106.31881713867188	176.0
106.41118621826172	180.0
106.8407211303711	168.0
107.41545867919922	192.0
107.64041900634766	168.0
108.02069854736328	200.0
109.16973114013672	168.0
109.24876403808594	220.0
110.59109497070312	124.0
111.33476257324219	168.0
112.23539733886719	184.0
115.36489868164062	252.0
115.95588684082031	156.0
116.3675308227539	160.0
117.12449645996094	140.0
120.64429473876953	172.0
121.95292663574219	148.0
125.2074966430664	152.0
126.6816635131836	140.0
126.95510864257812	228.0
127.65799713134766	148.0
128.6561279296875	204.0
129.0447235107422	164.0
129.4633331298828	156.0
132.22943115234375	144.0
132.84120178222656	168.0
134.45411682128906	144.0
137.2284393310547	144.0
137.7091522216797	180.0
138.33580017089844	164.0
139.92514038085938	140.0
141.89552307128906	156.0
142.93821716308594	192.0
143.11912536621094	156.0
143.15316772460938	160.0
144.81942749023438	160.0
145.2724609375	180.0
145.91366577148438	140.0
147.18341064453125	200.0
147.48297119140625	156.0
147.6086883544922	172.0
149.43511962890625	184.0
149.71017456054688	152.0
151.94180297851562	180.0
151.99578857421875	168.0
153.22021484375	160.0
154.29623413085938	180.0
155.3462371826172	160.0
156.01425170898438	160.0
156.08050537109375	236.0
157.08755493164062	192.0
157.45196533203125	152.0
157.55686950683594	120.0
160.00962829589844	156.0
161.24310302734375	148.0
161.5346221923828	160.0
162.46609497070312	260.0
165.49642944335938	196.0
165.84225463867188	180.0
166.06275939941406	164.0
167.0768585205078	136.0
168.0810546875	420.0
170.6256561279297	144.0
170.75567626953125	188.0
170.90394592285156	208.0
171.3283233642578	144.0
171.39085388183594	140.0
171.5654754638672	244.0
173.36634826660156	176.0
174.01161193847656	144.0
174.11138916015625	140.0
174.654541015625	152.0
174.89488220214844	148.0
176.7739715576172	152.0
177.8632354736328	180.0
178.42373657226562	216.0
179.07833862304688	136.0
180.08226013183594	964.0
181.08755493164062	540.0
181.1243133544922	164.0
181.44052124023438	192.0
181.67919921875	168.0
181.8267822265625	192.0
181.9153594970703	184.0
181.9824676513672	144.0
182.0415496826172	172.0
182.09007263183594	112.0
182.26986694335938	176.0
182.94493103027344	176.0
183.08494567871094	156.0
184.1205291748047	168.0
184.31773376464844	200.0
185.1075897216797	140.0
186.29010009765625	140.0
189.83006286621094	156.0
190.98448181152344	172.0
191.2862091064453	188.0
191.67453002929688	140.0
192.48548889160156	172.0
193.08726501464844	304.0
193.2898712158203	156.0
194.08901977539062	948.0
194.6120147705078	152.0
195.09120178222656	2008.0
195.3123321533203	164.0
196.04176330566406	176.0
196.06126403808594	148.0
196.094970703125	432.0
196.2173614501953	176.0
196.6916046142578	164.0
197.0853729248047	164.0
200.5089111328125	148.0
200.71096801757812	304.0
200.92098999023438	124.0
201.05320739746094	176.0
202.41859436035156	200.0
204.0784912109375	188.0
205.07748413085938	500.0
206.0843048095703	376.0
206.81427001953125	152.0
207.3097381591797	212.0
207.3600616455078	164.0
207.83734130859375	148.0
208.07186889648438	304.0
208.4460906982422	160.0
209.14205932617188	200.0
209.9920196533203	152.0
210.39598083496094	164.0
211.06478881835938	128.0
211.9027557373047	188.0
212.54063415527344	216.0
213.45851135253906	140.0
214.3617706298828	148.0
215.04808044433594	124.0
217.1031036376953	136.0
218.09500122070312	128.0
219.37867736816406	160.0
219.4081573486328	164.0
220.04541015625	152.0
220.0745391845703	364.0
221.08641052246094	336.0
222.0915985107422	6564.0
222.76402282714844	252.0
222.98687744140625	164.0
223.0225372314453	164.0
223.09352111816406	2248.0
223.1384735107422	152.0
223.57275390625	140.0
223.84959411621094	208.0
224.08798217773438	128.0
224.5678253173828	152.0
225.1975860595703	172.0
226.2231903076172	156.0
226.5825653076172	188.0
230.09951782226562	180.0
231.29541015625	204.0
231.6284942626953	164.0
233.71109008789062	188.0
234.03982543945312	184.0
234.10986328125	224.0
234.33221435546875	172.0
236.06593322753906	176.0
236.55853271484375	208.0
237.86436462402344	156.0
238.7154083251953	144.0
241.08908081054688	172.0
242.55612182617188	156.0
243.26336669921875	152.0
244.38839721679688	192.0
244.45062255859375	156.0
245.11087036132812	216.0
246.3400115966797	176.0
247.5973663330078	140.0
247.7445831298828	168.0
248.09243774414062	152.0
249.40139770507812	120.0
249.4296875	228.0
249.62461853027344	156.0
251.1142120361328	156.0
252.76058959960938	176.0
253.30145263671875	168.0
254.0884246826172	132.0
254.3668975830078	156.0
254.95362854003906	120.0
255.09872436523438	156.0
256.00054931640625	172.0
256.0361328125	140.0
256.105712890625	164.0
256.427978515625	152.0
258.0559997558594	172.0
258.6259765625	156.0
259.695556640625	172.0
259.76934814453125	144.0
261.8714904785156	172.0
261.945556640625	156.0
262.0293273925781	176.0
262.3838195800781	160.0
262.60955810546875	212.0
262.7256774902344	180.0
262.8773193359375	176.0
262.987060546875	148.0
264.2991027832031	188.0
264.59039306640625	140.0
266.3447265625	180.0
266.5494079589844	276.0
266.58514404296875	148.0
267.09100341796875	232.0
269.10662841796875	584.0
269.34796142578125	164.0
269.51129150390625	172.0
269.89044189453125	236.0
270.1101989746094	248.0
270.27642822265625	164.0
270.45745849609375	124.0
270.83294677734375	172.0
270.8558654785156	164.0
270.9104309082031	164.0
270.9967346191406	140.0
271.0531005859375	140.0
271.1235656738281	51364.0
271.2250061035156	196.0
271.4839172363281	136.0
271.7856750488281	124.0
271.8257141113281	136.0
271.998779296875	120.0
272.1291809082031	22164.0
272.2537536621094	116.0
272.42791748046875	168.0
272.5611267089844	200.0
273.1322937011719	3680.0
273.8806457519531	100.0
273.9326477050781	108.0
274.1434631347656	360.0
274.46435546875	164.0
275.04168701171875	144.0
275.1991271972656	180.0
275.9909362792969	156.0
276.05596923828125	144.0
276.25439453125	148.0
276.529052734375	152.0
277.1250915527344	152.0
277.8379211425781	176.0
278.8872375488281	156.0
280.0950622558594	148.0
280.23162841796875	156.0
280.36492919921875	140.0
280.6549377441406	152.0
281.11859130859375	256.0
281.42901611328125	164.0
282.1117858886719	140.0
282.552001953125	184.0
282.8591613769531	152.0
283.122314453125	404.0
283.2583312988281	148.0
284.12542724609375	144.0
284.97491455078125	152.0
285.09881591796875	140.0
285.34906005859375	148.0
286.7898254394531	168.0
286.9684753417969	188.0
287.8119812011719	160.0
290.1883544921875	164.0
290.51953125	172.0
291.67816162109375	164.0
291.8134765625	144.0
292.1875915527344	140.0
292.602783203125	172.0
294.1265869140625	172.0
296.6990051269531	148.0
296.8533020019531	172.0
296.93560791015625	152.0
297.1316223144531	172.0
297.999755859375	152.0
298.18212890625	164.0
298.604736328125	184.0
298.7010498046875	160.0
298.7904968261719	168.0
299.037353515625	184.0
299.11859130859375	21476.0
299.3936462402344	188.0
299.58447265625	196.0
299.8283386230469	176.0
299.8603515625	256.0
300.0248107910156	104.0
300.1263732910156	66224.0
300.3464660644531	272.0
300.4209289550781	104.0
300.4735107421875	124.0
300.52001953125	156.0
300.5520324707031	144.0
300.59454345703125	192.0
300.6876525878906	124.0
300.87103271484375	148.0
300.970458984375	168.0
301.1300964355469	14496.0
301.1903991699219	140.0
301.2577209472656	148.0
301.4239807128906	108.0
301.7760925292969	96.0
301.9197998046875	140.0
302.13299560546875	1876.0
302.2171630859375	184.0
302.3099060058594	292.0
302.3356628417969	128.0
302.4102783203125	148.0
302.77490234375	96.0
303.12799072265625	264.0
303.2937927246094	144.0
303.49298095703125	96.0
303.56231689453125	104.0
303.6991882324219	164.0
303.982177734375	112.0
304.22314453125	140.0
304.314208984375	100.0
304.3768615722656	136.0
304.66070556640625	164.0
305.32110595703125	180.0
305.8638610839844	164.0
307.1217346191406	156.0
308.759765625	168.0
308.92413330078125	172.0
309.0570983886719	164.0
310.5614013671875	164.0
311.6763000488281	188.0
315.15045166015625	156.0
318.1360168457031	140.0
318.23187255859375	272.0
318.7682189941406	160.0
319.01702880859375	148.0
319.8814392089844	156.0
320.7149353027344	144.0
324.2712097167969	180.0
324.49346923828125	144.0
325.9219665527344	148.0
326.34246826171875	144.0
327.7606201171875	156.0
327.85791015625	156.0
328.6981201171875	168.0
332.2184753417969	168.0
334.4532165527344	240.0
334.865966796875	256.0
337.3019714355469	172.0
339.1871032714844	168.0
339.2604064941406	152.0
341.2489013671875	104.0
341.6878967285156	140.0
342.0578918457031	148.0
346.84307861328125	152.0
347.8470764160156	120.0
349.58026123046875	152.0
353.1355895996094	188.0
353.50970458984375	180.0
353.535888671875	156.0
358.4100036621094	164.0
360.9087219238281	144.0
364.18499755859375	140.0
364.4108581542969	192.0
369.1372985839844	192.0
371.9225158691406	144.0
373.39739990234375	152.0
373.4671325683594	152.0
373.886474609375	140.0
374.6527099609375	220.0
375.1932067871094	176.0
375.44287109375	196.0
375.81317138671875	200.0
375.8903503417969	176.0
376.01385498046875	148.0
376.2184143066406	184.0
377.4045104980469	164.0
380.57391357421875	160.0
381.988525390625	144.0
384.01397705078125	188.0
384.6772766113281	152.0
385.8570861816406	156.0
385.958740234375	172.0
387.3919677734375	152.0
388.2317810058594	224.0
389.21282958984375	140.0
389.4425964355469	148.0
389.8765869140625	148.0
389.99432373046875	152.0
390.0358581542969	132.0
390.2109069824219	124.0
390.260986328125	96.0
390.28826904296875	124.0
390.3809814453125	120.0
390.4501037597656	116.0
390.50775146484375	292.0
390.5667419433594	148.0
391.0300598144531	308.0
391.1546325683594	188.0
391.2514343261719	268.0
391.318359375	156.0
391.4147033691406	172.0
391.50299072265625	164.0
391.5775451660156	108.0
391.6177673339844	188.0
391.6573791503906	164.0
391.7706604003906	152.0
391.867431640625	264.0
391.91827392578125	400.0
391.9478759765625	252.0
392.0285339355469	376.0
392.1335144042969	1048.0
392.1783752441406	197016.0
392.3333435058594	204.0
392.3730163574219	148.0
392.4126281738281	108.0
392.4623107910156	196.0
392.5038146972656	112.0
392.54345703125	164.0
392.5960693359375	216.0
392.66082763671875	144.0
392.7144775390625	192.0
392.77630615234375	104.0
392.82708740234375	3608.0
392.90130615234375	304.0
392.9731140136719	284.0
393.046142578125	112.0
393.1074523925781	236.0
393.18084716796875	93068.0
393.39935302734375	160.0
393.43267822265625	240.0
393.46240234375	396.0
393.63714599609375	100.0
393.6828308105469	208.0
393.7152404785156	132.0
393.8309020996094	360.0
393.88006591796875	120.0
393.9533996582031	256.0
394.00830078125	180.0
394.07220458984375	220.0
394.18328857421875	11312.0
394.28857421875	120.0
394.3380432128906	104.0
394.4161071777344	96.0
394.4858703613281	188.0
394.7152404785156	96.0
394.74212646484375	376.0
394.77203369140625	116.0
395.066162109375	120.0
395.1033935546875	196.0
395.1378173828125	200.0
395.18426513671875	980.0
395.28826904296875	216.0
395.4507141113281	136.0
395.62005615234375	272.0
395.66766357421875	180.0
395.8570556640625	180.0
395.929931640625	116.0
395.97283935546875	96.0
396.17431640625	192.0
396.40185546875	212.0
396.4308776855469	168.0
396.517822265625	112.0
396.6641845703125	148.0
396.7236328125	132.0
396.83367919921875	128.0
396.9335632324219	168.0
397.052001953125	240.0
397.12615966796875	132.0
397.33038330078125	152.0
397.6650695800781	140.0
397.7366943359375	140.0
398.1056213378906	104.0
398.1530456542969	100.0
436.3404235839844	156.0
489.3362731933594	148.0
560.3057250976562	140.0
587.7078247070312	152.0
603.8358764648438	140.0
614.8013305664062	144.0
786.27197265625	188.0
888.0074462890625	160.0
948.3989868164062	164.0
1141.607421875	208.0
1195.364501953125	200.0
1224.2174072265625	148.0
1239.13720703125	140.0
1281.0955810546875	164.0
1283.51171875	220.0
1309.7344970703125	232.0
1375.318359375	148.0
1391.225830078125	224.0
1631.943359375	188.0
1642.1219482421875	160.0
1651.0218505859375	196.0
1723.326904296875	248.0
1735.2119140625	148.0
1791.6170654296875	176.0
1797.1392822265625	188.0
1799.00439453125	164.0
1808.58154296875	156.0
1814.01123046875	156.0
1850.9188232421875	152.0
1868.1612548828125	244.0
1897.4200439453125	152.0
1903.710693359375	148.0
1911.464599609375	200.0
1984.43212890625	200.0
1997.65576171875	140.0
2000.3966064453125	184.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079056
PEPMASS=196.594513
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="2H-Indol-2-one, 1,3-dihydro-1-phenyl-3,3-bis(4-pyridinylmethyl)- [CAS]" [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=O=C1N(c2ccccc2C1(Cc3ccncc3)Cc4ccncc4)c5ccccc5
INCHI=InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
INCHIAUX=YEJCDKJIEMIWRQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079056
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079056
SCANS=1005
44.92336654663086	164.0
45.05638122558594	188.0
45.09564208984375	196.0
45.258113861083984	128.0
45.517616271972656	144.0
45.614349365234375	156.0
45.67889404296875	156.0
45.70773696899414	192.0
45.75525665283203	172.0
45.94967269897461	172.0
46.1800651550293	224.0
46.46242904663086	240.0
46.57102584838867	164.0
46.67702865600586	156.0
46.70014572143555	152.0
46.806297302246094	204.0
46.89348602294922	176.0
47.09541702270508	148.0
47.35042190551758	180.0
47.95158004760742	152.0
48.00505447387695	152.0
48.017757415771484	172.0
48.02998352050781	148.0
48.227622985839844	192.0
48.26356506347656	288.0
48.274627685546875	200.0
48.91841125488281	224.0
48.95878601074219	160.0
49.41943359375	180.0
49.44462203979492	180.0
49.457218170166016	148.0
49.53983688354492	148.0
49.83164596557617	204.0
49.97365188598633	144.0
50.125511169433594	108.0
50.263912200927734	176.0
50.320369720458984	168.0
50.35567092895508	148.0
50.386749267578125	152.0
50.532371520996094	148.0
50.920780181884766	180.0
50.95277404785156	132.0
51.06575012207031	140.0
51.26648712158203	164.0
51.36629104614258	172.0
51.53046417236328	156.0
51.79225540161133	160.0
51.80657958984375	164.0
52.109378814697266	132.0
52.19840621948242	184.0
52.3855094909668	196.0
52.546974182128906	140.0
52.575836181640625	152.0
52.61336135864258	164.0
52.63068771362305	156.0
52.847496032714844	156.0
52.89236068725586	204.0
53.07490158081055	164.0
53.11405944824219	148.0
53.13581848144531	152.0
53.27228546142578	164.0
53.37547302246094	208.0
53.49717330932617	176.0
53.6798095703125	148.0
53.988304138183594	176.0
54.31266784667969	184.0
54.41874313354492	144.0
54.55915832519531	132.0
54.97072219848633	152.0
55.04452896118164	152.0
55.074066162109375	168.0
55.316566467285156	224.0
55.4469108581543	144.0
55.510894775390625	124.0
55.5581169128418	148.0
55.60411834716797	164.0
56.17399215698242	236.0
56.266517639160156	196.0
56.6492919921875	176.0
56.68681716918945	196.0
56.91932678222656	204.0
56.991424560546875	152.0
57.455142974853516	168.0
57.51399612426758	164.0
57.54267883300781	284.0
57.658992767333984	204.0
58.2081298828125	252.0
58.369972229003906	204.0
58.77973175048828	144.0
58.8056755065918	240.0
58.98896789550781	176.0
59.02260208129883	160.0
59.39628601074219	172.0
59.43617630004883	140.0
59.49910354614258	156.0
59.568206787109375	160.0
59.768070220947266	180.0
59.82655715942383	168.0
60.12968826293945	148.0
60.3572998046875	200.0
60.60185623168945	244.0
60.79103088378906	148.0
60.98360824584961	204.0
61.076900482177734	168.0
61.243446350097656	216.0
61.35096740722656	200.0
61.788246154785156	192.0
61.86806106567383	160.0
61.899375915527344	152.0
62.04508972167969	240.0
62.13154983520508	184.0
62.192543029785156	144.0
62.359031677246094	148.0
62.513038635253906	108.0
62.7714958190918	208.0
62.8314323425293	200.0
62.84720993041992	148.0
63.02879333496094	192.0
63.1173095703125	252.0
63.578285217285156	192.0
63.6391716003418	168.0
63.762508392333984	140.0
64.00299835205078	180.0
64.33157348632812	180.0
64.59857940673828	180.0
64.97929382324219	176.0
65.12216186523438	204.0
65.42768859863281	148.0
65.47599029541016	152.0
65.5146484375	144.0
65.91061401367188	208.0
66.07808685302734	200.0
66.12663269042969	168.0
66.31288146972656	228.0
66.32747650146484	180.0
66.52537536621094	140.0
66.65692901611328	152.0
67.3558578491211	208.0
67.45553588867188	216.0
67.6436538696289	188.0
67.72225189208984	228.0
68.3148193359375	144.0
68.32633209228516	152.0
68.49259948730469	164.0
68.58651733398438	180.0
68.71268463134766	204.0
68.72669219970703	188.0
68.83728790283203	156.0
68.89344787597656	164.0
69.2325210571289	140.0
69.27392578125	180.0
69.73521423339844	184.0
69.76559448242188	144.0
69.86491394042969	192.0
69.8898696899414	196.0
69.90650939941406	236.0
70.2130355834961	144.0
70.33817291259766	152.0
70.4166488647461	176.0
70.4328384399414	136.0
70.62557220458984	160.0
70.72683715820312	152.0
71.00576782226562	196.0
71.02421569824219	140.0
71.03763580322266	176.0
71.08293914794922	164.0
71.11985778808594	140.0
71.20380401611328	160.0
71.21723937988281	152.0
71.41389465332031	216.0
71.43912506103516	144.0
71.6023941040039	164.0
71.77214050292969	104.0
71.82150268554688	180.0
71.83668518066406	184.0
72.0578384399414	220.0
72.584228515625	176.0
72.59949493408203	140.0
72.86088562011719	176.0
73.09722900390625	176.0
73.17382049560547	160.0
73.37144470214844	180.0
73.88036346435547	176.0
74.07551574707031	152.0
74.27436065673828	224.0
74.43053436279297	148.0
74.44598388671875	160.0
74.50128173828125	124.0
74.51812744140625	192.0
74.54168701171875	124.0
74.83696746826172	272.0
74.86903381347656	220.0
74.9716567993164	148.0
75.031005859375	140.0
75.15518188476562	168.0
75.27946472167969	260.0
75.32675170898438	244.0
75.3468246459961	172.0
75.44367218017578	156.0
75.87814331054688	156.0
75.95271301269531	156.0
75.97786712646484	152.0
76.27825927734375	176.0
76.41336822509766	164.0
76.83119201660156	140.0
77.19973754882812	168.0
77.22071838378906	192.0
77.68314361572266	172.0
77.80268859863281	164.0
77.86920166015625	140.0
77.9886703491211	152.0
78.15157318115234	152.0
78.40755462646484	172.0
78.59447479248047	160.0
78.76219177246094	200.0
78.80635833740234	192.0
78.8858871459961	192.0
78.9060287475586	132.0
78.98667907714844	160.0
79.04505920410156	224.0
79.07691955566406	160.0
79.11145782470703	164.0
79.12973022460938	172.0
79.28058624267578	148.0
79.39081573486328	200.0
79.56082916259766	216.0
79.74556732177734	180.0
79.76334381103516	172.0
80.0497817993164	172.0
80.08540344238281	196.0
80.40811157226562	156.0
80.95515441894531	160.0
81.02816009521484	180.0
81.19171142578125	176.0
81.24193572998047	188.0
81.27716827392578	240.0
81.31411743164062	208.0
81.3603744506836	152.0
81.4609375	176.0
81.6568603515625	236.0
81.83501434326172	160.0
81.87642669677734	152.0
81.896240234375	180.0
81.93046569824219	148.0
82.09268188476562	152.0
82.46820068359375	188.0
82.66532897949219	144.0
82.70513916015625	152.0
82.7341079711914	196.0
82.92430114746094	220.0
82.958740234375	200.0
83.12015533447266	180.0
83.16710662841797	188.0
83.1743392944336	164.0
83.55013275146484	104.0
83.61626434326172	160.0
83.8329849243164	172.0
84.09282684326172	144.0
84.15402221679688	172.0
84.30106353759766	108.0
84.37508392333984	148.0
84.53970336914062	168.0
84.61658477783203	164.0
84.65869903564453	216.0
84.78143310546875	144.0
84.84375762939453	144.0
84.86575317382812	144.0
84.92178344726562	124.0
84.94828796386719	196.0
85.03168487548828	160.0
85.07306671142578	200.0
85.31188201904297	212.0
85.40198516845703	196.0
85.42589569091797	184.0
85.6578369140625	152.0
85.94912719726562	148.0
86.26679229736328	200.0
86.36294555664062	208.0
86.45915222167969	232.0
86.48348999023438	212.0
86.62721252441406	120.0
86.71540069580078	176.0
86.8453598022461	132.0
86.9465560913086	200.0
87.12852478027344	184.0
87.50792694091797	156.0
87.56192779541016	180.0
87.59359741210938	168.0
87.89188385009766	228.0
87.90772247314453	140.0
88.09783935546875	128.0
88.20323944091797	160.0
88.24913787841797	120.0
88.30350494384766	200.0
88.68476867675781	176.0
88.77855682373047	156.0
88.7954330444336	228.0
89.04522705078125	212.0
89.34524536132812	164.0
89.64140319824219	204.0
89.87824249267578	120.0
89.92806243896484	220.0
89.99601745605469	172.0
90.14340209960938	160.0
90.3399887084961	172.0
90.57471466064453	144.0
90.71304321289062	160.0
90.78129577636719	152.0
90.88941955566406	156.0
91.02583312988281	236.0
91.15316772460938	160.0
91.20276641845703	120.0
91.42623901367188	132.0
91.79676055908203	160.0
91.84444427490234	216.0
91.95770263671875	276.0
91.98946380615234	256.0
92.05013275146484	7716.0
92.08493041992188	268.0
92.22146606445312	188.0
92.27662658691406	164.0
92.32268524169922	168.0
92.3907699584961	160.0
92.64112854003906	108.0
92.78812408447266	116.0
92.98860931396484	156.0
93.00679779052734	156.0
93.03950500488281	280.0
93.05826568603516	84204.0
93.12702941894531	160.0
93.1585464477539	136.0
93.37189483642578	196.0
93.401123046875	352.0
93.69046020507812	160.0
93.8747787475586	108.0
93.93485260009766	180.0
94.02477264404297	116.0
94.06053924560547	5976.0
94.59343719482422	148.0
94.62755584716797	220.0
94.67438507080078	168.0
94.69709777832031	160.0
94.74333190917969	232.0
94.84246826171875	248.0
94.85891723632812	164.0
94.91858673095703	104.0
95.00504302978516	168.0
95.06793975830078	152.0
95.24327850341797	176.0
95.7873306274414	200.0
95.80988311767578	196.0
95.8917236328125	164.0
96.15106201171875	160.0
96.461181640625	176.0
96.58290100097656	144.0
96.74993133544922	168.0
96.9431381225586	148.0
97.02737426757812	156.0
97.45724487304688	156.0
97.52995300292969	144.0
98.01802062988281	144.0
98.50138092041016	204.0
98.53694152832031	196.0
98.62784576416016	144.0
98.68122100830078	164.0
98.72076416015625	228.0
99.59278869628906	140.0
99.63848114013672	140.0
99.82600402832031	116.0
100.03223419189453	220.0
100.22208404541016	212.0
100.5644302368164	144.0
100.90202331542969	156.0
101.00401306152344	208.0
101.13904571533203	148.0
101.43051147460938	184.0
102.01876068115234	196.0
102.09105682373047	156.0
102.25279235839844	204.0
102.36473846435547	164.0
102.4736328125	124.0
102.65739440917969	192.0
102.8385009765625	168.0
103.11519622802734	328.0
103.27694702148438	156.0
104.04495239257812	156.0
104.32122802734375	156.0
104.46968078613281	180.0
104.50426483154297	176.0
104.53682708740234	152.0
104.65081024169922	188.0
104.98703002929688	160.0
105.0074234008789	264.0
105.27427673339844	200.0
105.38098907470703	172.0
105.61607360839844	140.0
106.08704376220703	212.0
106.33934020996094	144.0
106.6166000366211	152.0
106.6947021484375	200.0
106.96830749511719	168.0
107.09162902832031	296.0
107.6280288696289	240.0
107.89248657226562	148.0
107.94188690185547	148.0
108.5197982788086	200.0
108.66083526611328	152.0
108.77082061767578	172.0
109.20092010498047	156.0
109.39234924316406	152.0
109.41316986083984	188.0
109.48604583740234	156.0
109.65062713623047	144.0
109.71941375732422	160.0
109.82159423828125	200.0
109.86563110351562	180.0
110.57701110839844	128.0
110.88626098632812	200.0
110.95406341552734	120.0
111.15422821044922	180.0
111.34345245361328	144.0
111.42266845703125	188.0
111.63317108154297	148.0
111.82904052734375	152.0
113.03173065185547	232.0
113.1989517211914	144.0
113.6525650024414	160.0
114.09220123291016	184.0
114.14535522460938	184.0
114.55399322509766	148.0
114.6370849609375	168.0
114.88227844238281	192.0
114.89934539794922	144.0
115.05333709716797	272.0
115.27299499511719	144.0
115.28795623779297	148.0
115.33497619628906	156.0
115.69648742675781	208.0
116.12173461914062	144.0
116.33747100830078	144.0
116.44268798828125	156.0
116.5977554321289	112.0
117.05379486083984	224.0
117.08573150634766	216.0
117.29472351074219	184.0
117.56892395019531	120.0
117.64202117919922	192.0
117.73702239990234	148.0
117.90121459960938	280.0
118.73253631591797	152.0
119.13408660888672	188.0
119.18325805664062	228.0
119.36882019042969	168.0
119.46340942382812	228.0
119.67060852050781	212.0
120.03858947753906	180.0
120.50224304199219	148.0
120.69676971435547	228.0
120.83018493652344	160.0
121.43695831298828	188.0
121.5773696899414	148.0
121.88699340820312	152.0
122.10704040527344	204.0
122.59776306152344	216.0
123.26419830322266	140.0
123.2840805053711	152.0
123.3592300415039	164.0
123.44988250732422	144.0
123.5383529663086	212.0
123.7596664428711	160.0
124.37374114990234	204.0
124.3892822265625	188.0
124.60247039794922	152.0
124.95374298095703	184.0
125.28545379638672	160.0
125.33001708984375	172.0
125.41246795654297	140.0
125.49534606933594	136.0
125.61315155029297	236.0
125.97254180908203	152.0
126.07084655761719	144.0
126.17366790771484	284.0
126.45327758789062	164.0
126.8855972290039	176.0
127.05520629882812	136.0
127.31033325195312	164.0
127.34561157226562	148.0
127.41075134277344	144.0
127.59278869628906	160.0
128.049072265625	576.0
128.1185760498047	208.0
128.56809997558594	172.0
128.88339233398438	96.0
129.0226287841797	156.0
129.05828857421875	260.0
129.1532745361328	144.0
129.9007568359375	196.0
130.04824829101562	140.0
130.41847229003906	204.0
130.9463348388672	164.0
131.30413818359375	148.0
131.73553466796875	168.0
131.9480743408203	172.0
131.96864318847656	176.0
132.00523376464844	164.0
132.07455444335938	168.0
132.2507781982422	108.0
132.69442749023438	140.0
132.72193908691406	144.0
132.83660888671875	184.0
133.0798797607422	148.0
133.11203002929688	188.0
133.14418029785156	152.0
133.20619201660156	156.0
133.337158203125	148.0
133.82022094726562	172.0
133.9676055908203	140.0
134.149658203125	180.0
134.232666015625	192.0
134.2771453857422	192.0
134.80975341796875	152.0
134.83517456054688	156.0
134.94151306152344	156.0
135.28390502929688	176.0
135.496337890625	104.0
135.57574462890625	180.0
136.06980895996094	172.0
136.42758178710938	168.0
136.45082092285156	144.0
136.56243896484375	160.0
136.76254272460938	152.0
136.86729431152344	156.0
136.99305725097656	160.0
137.2100067138672	224.0
137.2282257080078	212.0
137.5550537109375	148.0
138.13690185546875	164.0
138.3697509765625	136.0
138.4997100830078	140.0
138.63560485839844	192.0
138.8395538330078	160.0
138.9239959716797	164.0
139.05499267578125	1780.0
139.109375	168.0
139.51107788085938	176.0
139.61924743652344	172.0
140.0344696044922	212.0
140.05946350097656	328.0
140.25729370117188	144.0
140.27613830566406	212.0
140.41761779785156	140.0
141.06939697265625	452.0
141.3341827392578	160.0
141.42648315429688	152.0
141.87181091308594	276.0
142.0211944580078	184.0
142.06622314453125	140.0
142.3368377685547	152.0
142.42233276367188	204.0
142.7312774658203	184.0
142.75743103027344	168.0
143.04531860351562	172.0
143.07150268554688	144.0
143.28488159179688	140.0
143.36209106445312	220.0
143.55517578125	176.0
143.6935272216797	160.0
143.91070556640625	204.0
144.05331420898438	152.0
144.08267211914062	152.0
144.11851501464844	144.0
144.1591339111328	196.0
144.33885192871094	196.0
144.4747314453125	152.0
144.57762145996094	224.0
144.89369201660156	192.0
145.5556640625	180.0
145.82472229003906	172.0
145.91622924804688	124.0
146.05935668945312	488.0
147.06753540039062	156.0
147.3428192138672	140.0
147.93646240234375	124.0
148.240478515625	196.0
148.35093688964844	160.0
148.75465393066406	188.0
148.8777313232422	160.0
148.95620727539062	184.0
149.27215576171875	184.0
149.49595642089844	168.0
149.55775451660156	172.0
149.60061645507812	212.0
149.68826293945312	140.0
150.0579833984375	156.0
150.42210388183594	180.0
150.68585205078125	144.0
150.9204864501953	160.0
151.0546417236328	240.0
151.13818359375	140.0
151.1724395751953	140.0
151.56893920898438	256.0
151.98841857910156	148.0
152.06051635742188	1000.0
152.99118041992188	196.0
153.06094360351562	368.0
153.19802856445312	164.0
153.35079956054688	160.0
153.57763671875	168.0
153.66644287109375	188.0
153.85400390625	192.0
153.9703369140625	176.0
154.06451416015625	232.0
154.24183654785156	168.0
154.98428344726562	160.0
155.0149688720703	188.0
155.05482482910156	128.0
155.07423400878906	176.0
155.13064575195312	212.0
155.5224151611328	164.0
155.6837921142578	160.0
155.77320861816406	148.0
155.8477325439453	144.0
156.08055114746094	560.0
156.28036499023438	188.0
156.75733947753906	108.0
156.91796875	176.0
156.94789123535156	148.0
157.08407592773438	184.0
157.25222778320312	156.0
157.3143310546875	100.0
157.40701293945312	184.0
157.5518798828125	148.0
158.0576171875	224.0
158.0962371826172	196.0
158.23211669921875	160.0
158.5176544189453	156.0
158.5402069091797	144.0
158.71066284179688	208.0
159.0769500732422	160.0
159.2979278564453	224.0
159.39842224121094	140.0
159.71372985839844	356.0
159.96934509277344	160.0
160.26864624023438	136.0
160.5917205810547	140.0
160.7254180908203	172.0
160.8188018798828	152.0
161.07887268066406	168.0
161.43270874023438	144.0
161.5718231201172	144.0
161.6593475341797	196.0
161.9971160888672	176.0
162.38999938964844	308.0
162.65133666992188	144.0
162.81129455566406	156.0
163.7344512939453	248.0
163.94845581054688	172.0
164.0511016845703	448.0
164.09600830078125	176.0
164.49012756347656	180.0
164.6678924560547	184.0
164.9233856201172	256.0
164.9668426513672	156.0
165.0699462890625	660.0
165.1100311279297	148.0
165.13560485839844	220.0
165.71156311035156	172.0
165.88070678710938	152.0
166.06663513183594	2128.0
166.13458251953125	148.0
166.79710388183594	148.0
167.072998046875	6128.0
167.11341857910156	148.0
167.2146759033203	148.0
167.39089965820312	164.0
167.6165771484375	192.0
167.71343994140625	152.0
167.79141235351562	160.0
167.9841766357422	196.0
168.07904052734375	3864.0
168.2809600830078	148.0
168.42816162109375	144.0
168.5780029296875	176.0
168.67880249023438	160.0
168.718994140625	220.0
169.01759338378906	148.0
169.0882568359375	1068.0
169.21420288085938	104.0
169.35281372070312	136.0
169.4163055419922	140.0
169.88812255859375	164.0
170.08624267578125	160.0
171.29638671875	200.0
171.32684326171875	148.0
171.61239624023438	200.0
172.54867553710938	144.0
172.635986328125	156.0
172.8635711669922	268.0
172.93421936035156	184.0
174.23623657226562	140.0
174.83172607421875	140.0
174.960693359375	168.0
175.11827087402344	152.0
175.3927001953125	320.0
175.63926696777344	148.0
175.7369842529297	180.0
176.05978393554688	124.0
176.46713256835938	184.0
176.87188720703125	176.0
176.96189880371094	164.0
177.05670166015625	184.0
177.29299926757812	160.0
177.33010864257812	160.0
177.38841247558594	176.0
177.50772094726562	160.0
178.01666259765625	152.0
178.0654296875	444.0
178.33505249023438	188.0
178.44549560546875	108.0
178.54074096679688	200.0
178.58860778808594	148.0
178.92921447753906	152.0
179.07281494140625	1784.0
179.14857482910156	140.0
179.29946899414062	152.0
179.79017639160156	216.0
180.04379272460938	280.0
180.08143615722656	9104.0
180.3162841796875	148.0
180.37635803222656	124.0
180.43389892578125	168.0
180.51678466796875	148.0
180.5595703125	176.0
180.74148559570312	140.0
181.08509826660156	2200.0
181.37081909179688	172.0
181.48609924316406	256.0
181.5706329345703	160.0
181.94488525390625	148.0
182.05580139160156	316.0
182.1355438232422	156.0
182.8372802734375	144.0
183.0654296875	356.0
183.09571838378906	216.0
183.43063354492188	172.0
183.82089233398438	176.0
183.94503784179688	200.0
184.07501220703125	168.0
184.2393798828125	160.0
184.98574829101562	156.0
185.07618713378906	148.0
185.1617431640625	176.0
185.60617065429688	204.0
185.7960205078125	184.0
186.07284545898438	148.0
186.24664306640625	204.0
186.4255828857422	148.0
186.493896484375	168.0
186.51292419433594	160.0
186.75762939453125	200.0
187.05421447753906	172.0
187.07598876953125	192.0
187.13589477539062	156.0
187.4136962890625	156.0
187.68756103515625	160.0
188.1309814453125	144.0
188.19923400878906	188.0
188.33731079101562	168.0
188.44232177734375	156.0
188.6062774658203	140.0
188.96725463867188	148.0
189.06329345703125	120.0
189.22726440429688	184.0
189.61622619628906	380.0
189.78070068359375	172.0
189.79989624023438	224.0
190.05499267578125	176.0
190.08242797851562	168.0
190.42832946777344	180.0
190.4695281982422	172.0
190.86349487304688	180.0
190.88308715820312	264.0
190.97528076171875	188.0
191.0730743408203	452.0
191.40733337402344	180.0
192.07664489746094	724.0
192.1415252685547	100.0
192.1625518798828	152.0
192.44960021972656	152.0
192.62081909179688	156.0
192.75343322753906	148.0
193.08782958984375	4360.0
193.13218688964844	200.0
193.53622436523438	160.0
193.5832977294922	196.0
193.7288818359375	148.0
193.76333618164062	148.0
193.8880157470703	144.0
193.93235778808594	188.0
193.97671508789062	180.0
194.04234313964844	192.0
194.0870361328125	8940.0
194.26698303222656	192.0
194.52040100097656	160.0
194.72149658203125	104.0
194.85113525390625	168.0
194.9375457763672	144.0
194.9759063720703	148.0
195.0380859375	196.0
195.0918731689453	18180.0
195.4137725830078	128.0
195.44198608398438	112.0
195.5117950439453	144.0
195.56552124023438	200.0
195.70855712890625	232.0
195.828369140625	200.0
195.8940887451172	180.0
195.91482543945312	100.0
195.99795532226562	144.0
196.03488159179688	128.0
196.0947265625	2236.0
196.14178466796875	144.0
196.3272705078125	144.0
196.37759399414062	104.0
196.46739196777344	232.0
196.5003662109375	244.0
196.5430450439453	172.0
196.56301879882812	312.0
196.59268188476562	98304.0
196.638427734375	164.0
196.66207885742188	332.0
196.7389373779297	152.0
196.76593017578125	172.0
196.81365966796875	320.0
196.82327270507812	188.0
196.8357391357422	232.0
196.8463592529297	344.0
196.9090118408203	284.0
196.9875030517578	104.0
197.05072021484375	988.0
197.09359741210938	35300.0
197.15646362304688	180.0
197.1944122314453	204.0
197.23617553710938	100.0
197.34776306152344	288.0
197.37547302246094	188.0
197.43087768554688	100.0
197.48960876464844	124.0
197.5435028076172	184.0
197.5953369140625	4788.0
197.66319274902344	212.0
197.87306213378906	184.0
198.05050659179688	212.0
198.0913543701172	532.0
198.14398193359375	140.0
198.20126342773438	156.0
198.26580810546875	152.0
198.33299255371094	180.0
198.3973846435547	112.0
198.46182250976562	208.0
198.51690673828125	164.0
198.65130615234375	108.0
198.7283935546875	188.0
198.7913055419922	128.0
198.82131958007812	156.0
198.93576049804688	284.0
199.01922607421875	112.0
199.09376525878906	152.0
199.16236877441406	308.0
199.26194763183594	120.0
199.46881103515625	104.0
199.49024963378906	220.0
199.5679931640625	108.0
199.70068359375	136.0
199.80496215820312	192.0
199.96253967285156	148.0
200.0244598388672	164.0
200.09202575683594	140.0
201.0596923828125	120.0
201.24282836914062	204.0
201.4739227294922	164.0
201.59585571289062	152.0
202.07618713378906	404.0
202.86056518554688	204.0
203.0646209716797	328.0
203.25762939453125	144.0
203.3626251220703	160.0
203.3966827392578	144.0
203.47048950195312	236.0
203.49888610839844	164.0
203.88519287109375	172.0
204.08111572265625	3220.0
204.3316192626953	144.0
204.4917449951172	176.0
204.5277099609375	172.0
204.5592803955078	176.0
204.69338989257812	152.0
204.8525848388672	152.0
205.04063415527344	140.0
205.0787811279297	2768.0
206.0828094482422	928.0
206.1670684814453	96.0
206.42518615722656	164.0
206.5996551513672	184.0
206.8688201904297	140.0
207.00035095214844	140.0
207.07113647460938	152.0
207.27821350097656	224.0
207.50177001953125	176.0
208.07403564453125	444.0
208.51663208007812	160.0
208.58978271484375	140.0
208.6185302734375	184.0
208.779541015625	168.0
208.9070587158203	192.0
209.08912658691406	144.0
209.1881103515625	212.0
209.54043579101562	128.0
209.6575927734375	184.0
209.95164489746094	140.0
210.24012756347656	140.0
210.66744995117188	160.0
210.83792114257812	176.0
211.06202697753906	1280.0
211.17039489746094	144.0
211.3121337890625	180.0
211.40182495117188	140.0
211.46502685546875	124.0
211.5084686279297	204.0
211.65640258789062	140.0
211.80218505859375	156.0
212.00128173828125	148.0
212.1809844970703	156.0
212.3172607421875	184.0
212.41647338867188	196.0
212.59332275390625	148.0
212.6215362548828	200.0
212.77572631835938	168.0
213.0655517578125	140.0
213.1126251220703	180.0
213.5304718017578	160.0
213.56253051757812	120.0
213.58938598632812	188.0
214.06961059570312	176.0
214.36575317382812	208.0
214.8991241455078	136.0
215.0817413330078	296.0
215.43458557128906	252.0
215.51931762695312	196.0
215.87008666992188	400.0
216.0796661376953	372.0
217.08975219726562	1736.0
217.16317749023438	104.0
217.20310974121094	176.0
217.2466583251953	160.0
217.5078125	268.0
217.60406494140625	208.0
217.65948486328125	260.0
217.8895721435547	232.0
217.9718475341797	176.0
218.09463500976562	1492.0
218.20193481445312	112.0
218.3098907470703	220.0
218.3745880126953	168.0
218.4775390625	212.0
218.88076782226562	172.0
218.93670654296875	168.0
219.06845092773438	132.0
219.2430877685547	140.0
219.54234313964844	236.0
219.5850830078125	164.0
220.07589721679688	2440.0
220.1546630859375	172.0
220.55941772460938	184.0
220.66847229003906	108.0
221.04739379882812	172.0
221.0768280029297	876.0
221.25332641601562	228.0
221.37301635742188	156.0
221.60545349121094	152.0
221.90423583984375	184.0
222.0915069580078	25308.0
222.40350341796875	96.0
222.57183837890625	148.0
222.64047241210938	140.0
222.74026489257812	160.0
222.86619567871094	196.0
223.09071350097656	6900.0
223.1771240234375	148.0
223.24273681640625	148.0
223.7334747314453	220.0
224.0928955078125	840.0
224.17886352539062	172.0
224.40380859375	152.0
224.59580993652344	156.0
224.7523651123047	116.0
224.91392517089844	188.0
225.09420776367188	280.0
225.4925994873047	116.0
225.58387756347656	152.0
226.07366943359375	388.0
226.35792541503906	148.0
226.7593536376953	152.0
227.0738067626953	308.0
227.12513732910156	184.0
227.89967346191406	244.0
228.08116149902344	1112.0
228.68153381347656	160.0
228.86817932128906	180.0
229.08963012695312	536.0
229.26849365234375	220.0
229.6125030517578	164.0
229.67384338378906	132.0
229.8447723388672	292.0
230.09881591796875	920.0
230.74786376953125	168.0
230.7811279296875	176.0
230.84764099121094	208.0
231.101318359375	140.0
231.89295959472656	140.0
232.43795776367188	188.0
232.51422119140625	152.0
232.5377197265625	160.0
232.6890411376953	160.0
232.8105926513672	196.0
233.3491668701172	204.0
234.08432006835938	204.0
234.60040283203125	148.0
235.50054931640625	148.0
235.72967529296875	208.0
236.07012939453125	452.0
236.71026611328125	168.0
236.75643920898438	212.0
237.18077087402344	176.0
237.5636444091797	140.0
237.64035034179688	184.0
237.8858642578125	200.0
238.0178680419922	236.0
238.55245971679688	140.0
238.6170196533203	184.0
238.69387817382812	160.0
239.04147338867188	140.0
239.10609436035156	168.0
239.76878356933594	180.0
239.92543029785156	160.0
240.0601348876953	140.0
240.0860137939453	332.0
240.50537109375	152.0
241.09088134765625	528.0
241.9644317626953	148.0
242.0941619873047	1464.0
242.48448181152344	212.0
242.59063720703125	116.0
242.72042846679688	156.0
242.8860321044922	160.0
243.10350036621094	1160.0
243.3863983154297	276.0
243.66087341308594	180.0
243.76962280273438	148.0
244.1107177734375	1948.0
244.2357635498047	128.0
244.37905883789062	144.0
245.11297607421875	1040.0
245.15438842773438	164.0
245.537841796875	152.0
245.58775329589844	164.0
245.66261291503906	172.0
245.84002685546875	176.0
246.10890197753906	208.0
246.27261352539062	196.0
246.37124633789062	168.0
246.5305938720703	176.0
246.86195373535156	156.0
247.5911102294922	228.0
247.75270080566406	224.0
248.9552764892578	156.0
249.0746307373047	148.0
249.1248779296875	160.0
249.22227478027344	172.0
249.98951721191406	160.0
250.28907775878906	220.0
250.94708251953125	156.0
251.15521240234375	172.0
251.86224365234375	192.0
252.0902099609375	332.0
252.12940979003906	148.0
252.2127685546875	124.0
252.5228271484375	240.0
252.7442626953125	188.0
253.08592224121094	284.0
253.72610473632812	156.0
253.76414489746094	224.0
253.89414978027344	188.0
254.09690856933594	4212.0
254.28335571289062	124.0
254.62725830078125	176.0
254.76937866210938	140.0
255.04029846191406	192.0
255.09658813476562	2208.0
255.18414306640625	120.0
255.25926208496094	160.0
255.46002197265625	176.0
255.669921875	136.0
256.1001281738281	3388.0
256.18902587890625	164.0
256.44073486328125	196.0
256.8553466796875	112.0
257.10833740234375	652.0
257.6501159667969	172.0
257.79547119140625	124.0
257.8578186035156	164.0
258.1001892089844	160.0
258.38861083984375	140.0
259.0993347167969	188.0
259.5793762207031	120.0
259.9875183105469	224.0
260.05999755859375	188.0
260.1379699707031	160.0
260.5108642578125	140.0
260.5526428222656	160.0
260.96722412109375	168.0
261.0862121582031	164.0
261.4690246582031	144.0
261.5205383300781	152.0
261.6943664550781	140.0
262.6643981933594	172.0
262.690185546875	140.0
262.73858642578125	176.0
263.2420959472656	144.0
263.9530029296875	160.0
264.3379211425781	180.0
264.6454162597656	164.0
264.93365478515625	148.0
265.1856384277344	120.0
265.8392028808594	208.0
266.1921081542969	144.0
266.46636962890625	108.0
266.759521484375	148.0
267.0944519042969	220.0
267.22247314453125	192.0
267.5218811035156	188.0
267.86053466796875	180.0
268.0625305175781	144.0
268.09918212890625	1192.0
268.19940185546875	160.0
268.3004455566406	228.0
268.3274841308594	168.0
268.93194580078125	176.0
269.10614013671875	8096.0
269.5005798339844	128.0
269.9061279296875	136.0
269.9507751464844	156.0
269.9949035644531	200.0
270.1143493652344	4052.0
270.1839599609375	136.0
270.25665283203125	180.0
270.30914306640625	240.0
270.46844482421875	124.0
270.6154479980469	116.0
270.6782531738281	136.0
270.7093811035156	104.0
270.7359313964844	268.0
270.7814636230469	228.0
270.8407287597656	136.0
270.9091491699219	160.0
270.99560546875	128.0
271.02618408203125	236.0
271.0575256347656	716.0
271.12518310546875	283252.0
271.2452392578125	188.0
271.3213195800781	148.0
271.3589172363281	300.0
271.3941345214844	164.0
271.4222412109375	396.0
271.43109130859375	212.0
271.4620056152344	324.0
271.57904052734375	128.0
271.6144104003906	424.0
271.6632995605469	4680.0
271.7597351074219	144.0
271.7939758300781	124.0
271.83734130859375	216.0
271.98443603515625	248.0
272.0414733886719	272.0
272.1282958984375	96860.0
272.2891845703125	132.0
272.32208251953125	120.0
272.3810119628906	272.0
272.43841552734375	140.0
272.5418701171875	256.0
272.66278076171875	204.0
272.7341613769531	188.0
272.81353759765625	180.0
272.8666076660156	184.0
272.9084777832031	152.0
272.9554748535156	160.0
273.0109558105469	184.0
273.1319580078125	12040.0
273.2158203125	152.0
273.2807312011719	224.0
273.34979248046875	188.0
273.3793640136719	128.0
273.46478271484375	200.0
273.5678405761719	100.0
273.6094055175781	156.0
273.6981201171875	120.0
273.7613830566406	348.0
273.8272705078125	240.0
273.90435791015625	300.0
273.9526672363281	260.0
273.996337890625	112.0
274.0324401855469	232.0
274.0592956542969	244.0
274.0859680175781	224.0
274.1343688964844	744.0
274.2027282714844	196.0
274.2863464355469	112.0
274.3470153808594	124.0
274.3765563964844	144.0
274.44000244140625	204.0
274.4822998046875	136.0
274.6094665527344	144.0
274.6376953125	100.0
274.6630554199219	124.0
274.7386779785156	104.0
274.83642578125	100.0
274.9103698730469	116.0
274.9455261230469	128.0
274.9775085449219	132.0
275.0404968261719	144.0
275.0797119140625	192.0
275.1171569824219	116.0
275.1551513671875	212.0
275.2135009765625	100.0
275.28662109375	132.0
275.6413269042969	164.0
275.8399353027344	140.0
276.01806640625	96.0
276.07659912109375	148.0
276.6502685546875	148.0
277.2184143066406	100.0
277.4521789550781	180.0
278.13848876953125	180.0
278.2228698730469	148.0
278.3590087890625	144.0
278.89385986328125	140.0
279.0885009765625	96.0
280.0992736816406	272.0
280.5582580566406	160.0
281.1086730957031	516.0
281.29547119140625	128.0
281.69427490234375	112.0
282.01068115234375	168.0
282.115966796875	1492.0
282.288330078125	160.0
283.120849609375	2024.0
283.1595458984375	196.0
283.6637878417969	144.0
284.091796875	284.0
284.1287536621094	436.0
284.515869140625	156.0
284.7396545410156	124.0
284.8080139160156	144.0
285.103271484375	440.0
285.2001647949219	96.0
286.1161193847656	152.0
286.38348388671875	120.0
287.0392761230469	180.0
287.3192138671875	256.0
287.9313659667969	120.0
292.0821228027344	148.0
293.4280700683594	132.0
294.0617370605469	172.0
294.4167785644531	152.0
295.2066650390625	168.0
296.0205993652344	176.0
296.2158203125	216.0
296.5590515136719	120.0
296.62908935546875	108.0
296.7161560058594	144.0
297.0487976074219	160.0
297.1048278808594	132.0
297.23406982421875	180.0
297.6047668457031	156.0
297.74749755859375	120.0
297.86376953125	148.0
298.1080322265625	520.0
298.2600402832031	164.0
298.3184509277344	184.0
298.3825988769531	120.0
298.4473571777344	140.0
298.5210266113281	152.0
298.5648193359375	132.0
298.6216125488281	212.0
298.6666564941406	144.0
298.71905517578125	120.0
298.7699890136719	100.0
298.8373107910156	112.0
298.89483642578125	236.0
298.92340087890625	108.0
299.00079345703125	168.0
299.0399475097656	264.0
299.11907958984375	131568.0
299.2283020019531	240.0
299.3017578125	240.0
299.3426208496094	128.0
299.3878173828125	116.0
299.43377685546875	216.0
299.5223083496094	292.0
299.56805419921875	152.0
299.59625244140625	380.0
299.6373596191406	148.0
299.69921875	96.0
299.7323303222656	160.0
299.78692626953125	368.0
299.8638916015625	436.0
299.9436340332031	316.0
299.99041748046875	140.0
299.9977111816406	320.0
300.0549621582031	432.0
300.12811279296875	235876.0
300.22137451171875	252.0
300.251220703125	152.0
300.2855529785156	156.0
300.35870361328125	192.0
300.387451171875	316.0
300.4484558105469	504.0
300.49542236328125	356.0
300.5657653808594	412.0
300.6542053222656	596.0
300.696044921875	9292.0
300.7366943359375	248.0
300.7810363769531	240.0
300.8503112792969	172.0
300.9261169433594	324.0
300.97406005859375	308.0
301.0422058105469	120.0
301.1304016113281	100552.0
301.22039794921875	244.0
301.2605285644531	172.0
301.3297424316406	148.0
301.39471435546875	108.0
301.4559020996094	168.0
301.4920959472656	188.0
301.5299377441406	380.0
301.657958984375	112.0
301.71649169921875	124.0
301.8352966308594	180.0
301.8906555175781	108.0
301.90338134765625	132.0
301.93865966796875	112.0
301.9855041503906	144.0
302.1322021484375	11600.0
302.2187194824219	204.0
302.3285217285156	188.0
302.35723876953125	136.0
302.43841552734375	116.0
302.5018005371094	136.0
302.5625915527344	120.0
302.7000427246094	172.0
302.7420349121094	196.0
302.81170654296875	192.0
302.8932189941406	184.0
302.9393005371094	292.0
303.0055236816406	288.0
303.0670471191406	164.0
303.1355895996094	1348.0
303.2013854980469	156.0
303.2264404296875	204.0
303.26513671875	264.0
303.2943420410156	308.0
303.3195495605469	268.0
303.37054443359375	148.0
303.4564208984375	280.0
303.6194152832031	124.0
303.80718994140625	112.0
303.9200134277344	100.0
304.1272277832031	236.0
304.1828308105469	156.0
304.3490905761719	144.0
305.17596435546875	104.0
305.2963562011719	124.0
305.52545166015625	96.0
310.60394287109375	96.0
310.89324951171875	140.0
312.023193359375	100.0
314.3731689453125	96.0
314.6842346191406	164.0
314.8656921386719	96.0
314.9031677246094	164.0
316.994873046875	108.0
318.2496337890625	152.0
322.65325927734375	148.0
323.08599853515625	148.0
331.5295715332031	144.0
347.51800537109375	168.0
363.6295471191406	132.0
392.1726379394531	144.0
424.91668701171875	140.0
451.6089782714844	176.0
459.63397216796875	140.0
461.2654113769531	156.0
473.3447570800781	96.0
489.7590026855469	140.0
528.7827758789062	152.0
553.9730834960938	144.0
627.2205200195312	176.0
919.532470703125	148.0
978.8384399414062	188.0
1041.178955078125	168.0
1048.313232421875	232.0
1086.2581787109375	188.0
1088.43701171875	156.0
1113.823974609375	156.0
1119.6036376953125	140.0
1127.3154296875	144.0
1157.9866943359375	148.0
1166.44091796875	140.0
1169.3656005859375	148.0
1172.110107421875	144.0
1193.301025390625	148.0
1197.519287109375	160.0
1226.0147705078125	216.0
1239.0811767578125	224.0
1239.3543701171875	192.0
1240.98046875	144.0
1246.4482421875	140.0
1249.0565185546875	160.0
1250.04150390625	228.0
1255.811279296875	192.0
1256.7354736328125	160.0
1259.9053955078125	148.0
1260.089111328125	208.0
1269.6947021484375	144.0
1273.4774169921875	176.0
1274.5501708984375	144.0
1277.47216796875	164.0
1291.1297607421875	152.0
1293.6854248046875	148.0
1295.65478515625	156.0
1296.5648193359375	148.0
1297.6328125	140.0
1300.04296875	152.0
1307.7039794921875	220.0
1311.9754638671875	152.0
1315.9434814453125	152.0
1316.6944580078125	164.0
1317.0194091796875	248.0
1319.3028564453125	160.0
1320.321044921875	136.0
1322.298583984375	172.0
1324.3681640625	172.0
1332.6090087890625	184.0
1339.4764404296875	180.0
1339.862548828125	204.0
1341.516845703125	160.0
1345.96728515625	152.0
1347.15771484375	156.0
1349.67919921875	160.0
1351.0687255859375	144.0
1352.321533203125	272.0
1354.9635009765625	180.0
1356.2752685546875	180.0
1356.50244140625	180.0
1356.722412109375	148.0
1358.1156005859375	216.0
1358.541015625	164.0
1358.7318115234375	152.0
1359.61962890625	200.0
1360.1407470703125	164.0
1364.9234619140625	188.0
1368.852783203125	224.0
1369.8839111328125	192.0
1370.0902099609375	216.0
1371.534423828125	160.0
1376.8319091796875	268.0
1377.415283203125	152.0
1380.0018310546875	148.0
1380.275390625	156.0
1380.5860595703125	140.0
1380.92626953125	216.0
1383.4151611328125	224.0
1385.197021484375	168.0
1385.56005859375	140.0
1387.43505859375	148.0
1389.83056640625	140.0
1392.45849609375	168.0
1395.505126953125	140.0
1397.0594482421875	148.0
1398.294677734375	252.0
1398.89013671875	156.0
1404.560791015625	152.0
1408.02392578125	140.0
1408.7344970703125	148.0
1409.5552978515625	172.0
1412.1494140625	212.0
1415.397216796875	212.0
1416.3109130859375	144.0
1416.7603759765625	200.0
1417.052490234375	180.0
1424.1414794921875	140.0
1424.6748046875	208.0
1426.2227783203125	168.0
1427.591064453125	220.0
1428.057373046875	140.0
1428.8095703125	168.0
1430.4049072265625	152.0
1430.532958984375	148.0
1430.7210693359375	176.0
1431.556884765625	208.0
1436.666748046875	172.0
1436.739013671875	120.0
1446.8692626953125	284.0
1448.4747314453125	144.0
1451.202880859375	224.0
1452.5831298828125	144.0
1453.9716796875	144.0
1455.467041015625	184.0
1455.83154296875	152.0
1460.939208984375	204.0
1461.9283447265625	196.0
1462.7723388671875	192.0
1463.8314208984375	164.0
1463.9990234375	184.0
1470.166259765625	160.0
1472.3189697265625	156.0
1473.373046875	144.0
1475.0772705078125	148.0
1476.1072998046875	136.0
1476.8282470703125	212.0
1480.1795654296875	148.0
1481.39794921875	140.0
1483.0377197265625	208.0
1483.375	144.0
1484.1492919921875	168.0
1486.5809326171875	244.0
1486.7957763671875	140.0
1487.7552490234375	152.0
1491.88818359375	156.0
1493.3800048828125	180.0
1493.649169921875	192.0
1494.1204833984375	168.0
1497.02783203125	164.0
1497.828857421875	144.0
1498.206298828125	180.0
1499.1617431640625	140.0
1503.78369140625	192.0
1504.8079833984375	180.0
1505.3330078125	168.0
1505.9122314453125	156.0
1505.9739990234375	144.0
1506.9859619140625	156.0
1511.5711669921875	180.0
1511.679443359375	140.0
1513.475341796875	140.0
1514.21875	192.0
1521.0029296875	148.0
1522.4703369140625	172.0
1523.0062255859375	148.0
1527.8023681640625	216.0
1528.06689453125	184.0
1528.852783203125	152.0
1531.1416015625	268.0
1531.7647705078125	176.0
1532.746337890625	156.0
1534.4688720703125	140.0
1535.906494140625	196.0
1538.588134765625	284.0
1540.404296875	220.0
1541.39208984375	164.0
1541.9781494140625	160.0
1542.9161376953125	192.0
1544.143798828125	296.0
1546.9058837890625	160.0
1547.8375244140625	260.0
1549.4822998046875	168.0
1550.5087890625	196.0
1551.1593017578125	160.0
1551.323974609375	172.0
1552.421630859375	244.0
1556.470703125	204.0
1557.13818359375	140.0
1558.5521240234375	224.0
1560.4071044921875	140.0
1561.083251953125	204.0
1561.5157470703125	180.0
1561.822509765625	144.0
1562.3731689453125	224.0
1564.6868896484375	140.0
1565.1329345703125	252.0
1565.5755615234375	136.0
1567.2589111328125	160.0
1567.4515380859375	180.0
1571.050537109375	188.0
1572.711669921875	188.0
1573.1932373046875	168.0
1574.72509765625	188.0
1576.5579833984375	176.0
1580.0606689453125	184.0
1580.5828857421875	200.0
1583.5911865234375	188.0
1584.826904296875	160.0
1586.0711669921875	188.0
1588.3944091796875	240.0
1590.6055908203125	176.0
1592.029541015625	168.0
1592.89697265625	236.0
1598.2376708984375	168.0
1598.3175048828125	156.0
1600.3548583984375	232.0
1602.50537109375	144.0
1602.8001708984375	184.0
1603.6607666015625	184.0
1604.1629638671875	164.0
1604.4898681640625	192.0
1604.641357421875	148.0
1604.936279296875	184.0
1605.1656494140625	212.0
1605.6380615234375	144.0
1606.8544921875	208.0
1610.13916015625	200.0
1612.4400634765625	232.0
1615.070556640625	176.0
1620.4019775390625	244.0
1626.76953125	176.0
1630.0623779296875	148.0
1632.2327880859375	172.0
1632.3521728515625	136.0
1633.1898193359375	148.0
1634.203369140625	196.0
1635.0965576171875	184.0
1635.2978515625	144.0
1637.238037109375	176.0
1637.318603515625	176.0
1637.7412109375	152.0
1638.486572265625	152.0
1644.5908203125	144.0
1645.0509033203125	148.0
1645.8582763671875	140.0
1647.04541015625	188.0
1650.1485595703125	172.0
1651.5313720703125	168.0
1652.1866455078125	160.0
1652.4212646484375	204.0
1658.364990234375	148.0
1659.1351318359375	192.0
1659.8648681640625	224.0
1660.1324462890625	180.0
1661.40576171875	184.0
1661.4951171875	176.0
1662.476806640625	144.0
1663.3209228515625	140.0
1664.5631103515625	168.0
1665.20458984375	140.0
1665.67578125	184.0
1669.6907958984375	180.0
1670.3577880859375	160.0
1671.3829345703125	184.0
1671.822265625	148.0
1671.96875	196.0
1672.0745849609375	168.0
1672.2943115234375	220.0
1673.889892578125	228.0
1675.8284912109375	140.0
1675.9588623046875	188.0
1676.015869140625	156.0
1679.4969482421875	168.0
1682.4998779296875	176.0
1682.87548828125	160.0
1685.0152587890625	176.0
1685.2276611328125	180.0
1686.028564453125	164.0
1686.9766845703125	200.0
1689.04541015625	208.0
1691.017333984375	224.0
1693.1131591796875	176.0
1695.08740234375	156.0
1695.69384765625	184.0
1700.7462158203125	152.0
1702.3306884765625	152.0
1703.0384521484375	188.0
1703.2587890625	188.0
1703.7352294921875	140.0
1704.0556640625	140.0
1704.9512939453125	168.0
1705.8883056640625	144.0
1716.006103515625	152.0
1717.5894775390625	164.0
1718.826904296875	208.0
1720.007080078125	144.0
1722.310791015625	160.0
1724.244140625	144.0
1727.2371826171875	156.0
1732.4190673828125	140.0
1733.529296875	168.0
1739.2767333984375	176.0
1740.0986328125	200.0
1740.778564453125	172.0
1743.1552734375	268.0
1744.0777587890625	172.0
1744.2689208984375	204.0
1744.9007568359375	168.0
1746.7884521484375	160.0
1748.3193359375	144.0
1748.593994140625	236.0
1749.3597412109375	152.0
1749.834228515625	148.0
1753.8828125	160.0
1756.0006103515625	148.0
1759.61376953125	164.0
1760.515625	184.0
1761.3424072265625	144.0
1762.2947998046875	172.0
1764.710205078125	160.0
1767.5875244140625	180.0
1769.9898681640625	164.0
1772.545654296875	216.0
1777.926513671875	208.0
1781.286865234375	172.0
1787.4661865234375	144.0
1789.20849609375	172.0
1795.3172607421875	176.0
1797.1983642578125	164.0
1797.983154296875	188.0
1798.5570068359375	140.0
1798.9329833984375	176.0
1802.8643798828125	212.0
1806.0347900390625	176.0
1807.599853515625	172.0
1809.2841796875	160.0
1809.900146484375	136.0
1811.0625	216.0
1811.782470703125	164.0
1811.8841552734375	148.0
1813.434814453125	184.0
1814.3333740234375	232.0
1814.59619140625	164.0
1816.4559326171875	168.0
1818.1588134765625	188.0
1818.9056396484375	188.0
1819.5848388671875	180.0
1821.4105224609375	152.0
1825.66015625	156.0
1826.646728515625	164.0
1828.10107421875	148.0
1836.407958984375	156.0
1838.805419921875	156.0
1840.1285400390625	232.0
1841.998779296875	140.0
1842.95556640625	176.0
1851.329833984375	212.0
1852.135009765625	148.0
1852.91455078125	180.0
1853.40283203125	144.0
1854.4306640625	176.0
1856.1715087890625	160.0
1857.55224609375	160.0
1859.0550537109375	204.0
1859.2940673828125	168.0
1864.223388671875	156.0
1864.5413818359375	256.0
1873.6094970703125	132.0
1874.1102294921875	164.0
1876.7861328125	220.0
1877.1788330078125	148.0
1878.4122314453125	140.0
1883.9627685546875	208.0
1884.196044921875	236.0
1884.2950439453125	156.0
1885.20703125	204.0
1890.2138671875	208.0
1892.91455078125	140.0
1895.7125244140625	220.0
1903.5791015625	132.0
1906.6209716796875	168.0
1907.2119140625	144.0
1908.6290283203125	160.0
1909.646484375	188.0
1909.8638916015625	144.0
1910.090087890625	160.0
1910.229248046875	272.0
1911.8909912109375	188.0
1914.3111572265625	260.0
1914.7900390625	212.0
1915.8963623046875	180.0
1916.3580322265625	208.0
1918.3787841796875	144.0
1918.5281982421875	160.0
1918.955322265625	220.0
1919.1209716796875	164.0
1920.79541015625	188.0
1921.8597412109375	188.0
1923.0465087890625	196.0
1924.5567626953125	200.0
1925.6175537109375	184.0
1926.853759765625	220.0
1927.15087890625	180.0
1930.1138916015625	208.0
1931.3848876953125	196.0
1933.3505859375	208.0
1933.46435546875	212.0
1934.4111328125	184.0
1934.4884033203125	156.0
1934.6021728515625	156.0
1936.801025390625	144.0
1937.5208740234375	168.0
1939.8055419921875	264.0
1941.13818359375	212.0
1941.6556396484375	148.0
1942.5765380859375	188.0
1944.9896240234375	176.0
1948.4407958984375	144.0
1948.651611328125	144.0
1949.3282470703125	148.0
1951.93896484375	224.0
1954.0499267578125	144.0
1954.1202392578125	172.0
1955.5369873046875	140.0
1956.3204345703125	224.0
1957.14794921875	192.0
1957.3857421875	220.0
1957.5618896484375	156.0
1957.9581298828125	180.0
1960.9007568359375	184.0
1960.9976806640625	212.0
1961.2532958984375	220.0
1965.0540771484375	148.0
1965.3363037109375	148.0
1965.7069091796875	172.0
1966.607177734375	164.0
1968.10791015625	156.0
1968.5582275390625	144.0
1968.805419921875	156.0
1969.4237060546875	152.0
1970.3963623046875	208.0
1971.561767578125	144.0
1974.581787109375	300.0
1976.248291015625	160.0
1977.4871826171875	152.0
1977.8590087890625	188.0
1978.708740234375	140.0
1979.3463134765625	148.0
1980.0369873046875	164.0
1984.99072265625	144.0
1985.5760498046875	244.0
1987.9447021484375	152.0
1988.636962890625	228.0
1991.682373046875	144.0
1992.23046875	172.0
1992.49072265625	176.0
1995.44140625	168.0
1997.8426513671875	196.0
2000.3966064453125	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079057
PEPMASS=288.178192
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_A2_B11_BC8_01_15722.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="4-(dibenzo[1,2-a:1',2'-e][7]annulen-11-ylidene)-1-methylpiperidine" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1
INCHI=InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
INCHIAUX=JJCFRYNCJDLXIK-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079057
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079057
SCANS=1181
45.46123504638672	172.0
46.417667388916016	160.0
47.25125503540039	144.0
47.71481704711914	240.0
50.61163330078125	212.0
51.37485122680664	168.0
53.94407653808594	168.0
56.038330078125	140.0
56.22037124633789	216.0
57.096649169921875	208.0
58.52974319458008	140.0
59.001197814941406	144.0
59.178672790527344	200.0
59.49910354614258	168.0
60.40214920043945	264.0
61.379032135009766	164.0
64.0361557006836	188.0
64.39661407470703	168.0
64.6588134765625	252.0
65.39227294921875	156.0
65.5210952758789	140.0
67.27910614013672	188.0
70.38658905029297	180.0
72.80823516845703	192.0
75.00686645507812	188.0
75.11763763427734	204.0
77.04067993164062	140.0
79.20085906982422	176.0
81.0035171508789	164.0
82.047607421875	224.0
83.36711883544922	216.0
85.08592224121094	160.0
85.55471801757812	180.0
85.95097351074219	176.0
87.36276245117188	140.0
87.90868377685547	144.0
88.14396667480469	148.0
91.05647277832031	160.0
91.08306121826172	280.0
91.29402923583984	160.0
92.04483032226562	168.0
94.06488800048828	256.0
95.07101440429688	180.0
96.04965209960938	184.0
96.08142852783203	2788.0
97.08868408203125	700.0
97.11174011230469	148.0
98.0909423828125	240.0
99.0572280883789	140.0
100.85005187988281	148.0
102.17755126953125	180.0
102.48332977294922	144.0
105.0706558227539	172.0
108.08091735839844	168.0
108.50528717041016	156.0
110.0975341796875	416.0
110.2543716430664	152.0
114.4686050415039	216.0
115.05426025390625	424.0
115.46539306640625	244.0
116.28595733642578	140.0
117.06841278076172	704.0
118.07288360595703	176.0
121.0118408203125	252.0
124.88922882080078	164.0
125.79612731933594	160.0
126.05520629882812	168.0
126.70630645751953	144.0
128.06265258789062	328.0
129.0709228515625	1080.0
130.45257568359375	160.0
131.0807342529297	168.0
132.0852813720703	192.0
133.08447265625	176.0
133.2452392578125	144.0
134.09664916992188	236.0
134.35951232910156	164.0
140.1041259765625	152.0
141.06922912597656	868.0
141.09767150878906	168.0
141.3365478515625	160.0
141.8196563720703	152.0
142.0723876953125	364.0
143.06674194335938	200.0
143.08578491210938	200.0
144.73800659179688	160.0
144.96078491210938	140.0
147.54098510742188	204.0
149.24783325195312	168.0
152.05857849121094	252.0
153.0684814453125	904.0
154.0741424560547	280.0
155.0784454345703	140.0
155.480224609375	144.0
156.61146545410156	140.0
157.0725860595703	140.0
157.84429931640625	212.0
158.17454528808594	176.0
159.89382934570312	180.0
161.1824493408203	180.0
165.0709228515625	328.0
165.93197631835938	160.0
167.08448791503906	1028.0
168.08517456054688	108.0
169.0926513671875	156.0
170.09312438964844	152.0
171.64108276367188	216.0
171.7975616455078	204.0
175.3927001953125	160.0
178.07781982421875	1036.0
179.08592224121094	896.0
180.06248474121094	156.0
180.09292602539062	436.0
181.1042022705078	132.0
182.10069274902344	192.0
182.35855102539062	208.0
182.9287872314453	160.0
183.1038818359375	144.0
184.1083526611328	268.0
185.11570739746094	148.0
189.06781005859375	864.0
189.6491241455078	164.0
190.07716369628906	244.0
190.7635498046875	168.0
191.0861053466797	13608.0
192.08921813964844	1916.0
193.09613037109375	404.0
194.0970001220703	272.0
194.24569702148438	152.0
195.03427124023438	140.0
195.10098266601562	144.0
195.2427978515625	140.0
196.1134796142578	1072.0
197.1167449951172	972.0
198.11669921875	276.0
198.64195251464844	144.0
198.7092742919922	152.0
199.12649536132812	184.0
202.0791778564453	1008.0
202.97964477539062	180.0
203.08531188964844	2272.0
204.09361267089844	2748.0
205.0989990234375	2012.0
205.24671936035156	124.0
206.1045379638672	516.0
207.10606384277344	132.0
213.57484436035156	148.0
215.08595275878906	2904.0
216.0935821533203	3116.0
216.52560424804688	168.0
217.10191345214844	4472.0
217.80145263671875	264.0
217.8866424560547	176.0
218.10340881347656	604.0
219.88600158691406	148.0
226.04661560058594	172.0
226.07952880859375	144.0
226.13339233398438	240.0
227.0886688232422	228.0
228.09423828125	1264.0
229.10311889648438	1548.0
230.11041259765625	1748.0
231.05029296875	156.0
231.11514282226562	628.0
231.49522399902344	180.0
232.12107849121094	204.0
233.12220764160156	144.0
236.95664978027344	176.0
237.07614135742188	140.0
237.42562866210938	140.0
238.76153564453125	144.0
239.0808868408203	104.0
240.0025177001953	144.0
241.0995635986328	648.0
241.2559814453125	216.0
242.04493713378906	172.0
242.10690307617188	576.0
243.11769104003906	796.0
244.12255859375	236.0
244.2235107421875	180.0
245.13345336914062	1068.0
245.17620849609375	184.0
245.45053100585938	152.0
246.1346435546875	520.0
250.51217651367188	196.0
250.92816162109375	160.0
254.3065948486328	140.0
257.13250732421875	420.0
258.13262939453125	128.0
259.1422424316406	132.0
260.14801025390625	168.0
265.96484375	140.0
269.3656921386719	116.0
269.870849609375	176.0
272.1455078125	412.0
274.1611022949219	160.0
275.4114990234375	144.0
275.7055358886719	236.0
280.9617614746094	168.0
282.69921875	140.0
284.44537353515625	140.0
285.93212890625	128.0
285.975830078125	148.0
286.092529296875	248.0
286.1580810546875	176.0
286.9948425292969	160.0
287.05877685546875	340.0
287.5032653808594	212.0
287.53472900390625	216.0
287.7444763183594	156.0
287.7758483886719	124.0
287.8423767089844	168.0
287.8727722167969	144.0
288.01312255859375	328.0
288.1148681640625	148.0
288.1763610839844	91520.0
288.35247802734375	140.0
288.4385681152344	96.0
288.4776916503906	96.0
288.5484619140625	236.0
288.5828857421875	232.0
288.6709899902344	132.0
288.73193359375	344.0
288.7955627441406	188.0
288.85406494140625	144.0
288.9334716796875	168.0
288.97821044921875	104.0
289.0606384277344	148.0
289.17962646484375	17204.0
289.2724914550781	156.0
289.3144226074219	216.0
289.5644836425781	116.0
289.7655944824219	140.0
290.1820983886719	1772.0
290.565185546875	96.0
290.6328430175781	104.0
290.8117370605469	140.0
290.9325866699219	140.0
291.1271057128906	192.0
291.17816162109375	176.0
291.2565002441406	112.0
291.2895812988281	180.0
291.3376770019531	144.0
291.37164306640625	168.0
291.93927001953125	156.0
292.1472473144531	140.0
1020.6533203125	200.0
1144.1104736328125	212.0
1180.80029296875	140.0
1219.0557861328125	144.0
1223.173095703125	180.0
1298.6942138671875	184.0
1337.510498046875	188.0
1380.6895751953125	176.0
1409.211669921875	160.0
1426.741455078125	172.0
1429.479248046875	156.0
1471.7081298828125	160.0
1491.8037109375	212.0
1579.68896484375	220.0
1582.6171875	180.0
1606.8345947265625	156.0
1609.723876953125	196.0
1616.7266845703125	140.0
1751.1666259765625	220.0
1751.974609375	176.0
1781.96728515625	156.0
1808.1414794921875	196.0
1820.756591796875	144.0
1845.5283203125	164.0
1879.2403564453125	176.0
1913.5274658203125	224.0
1946.2977294921875	148.0
1962.355224609375	212.0
1964.0836181640625	140.0
1997.5045166015625	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079058
PEPMASS=635.339111
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_C2_D11_BD1_01_15723.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=GOSERELIN ACETATE [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)CC(NC(=O)C(COC(C)(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc4c[nH]cn4)NC(=O)C5CCC(=O)N5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N6CCCC6C(=O)NNC(=O)N
INCHI=InChI=1S/C59H84N18O14/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90)/t38?,39-,40?,41?,42?,43?,44?,45?,46?/m0/s1
INCHIAUX=BLCLNMBMMGCOAS-KJLMDEBVSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079058
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079058
SCANS=1049
45.118289947509766	196.0
45.568603515625	172.0
49.488189697265625	124.0
50.172176361083984	236.0
50.87954330444336	252.0
51.45756912231445	188.0
51.8007926940918	156.0
52.41714859008789	208.0
52.6927375793457	188.0
52.736087799072266	232.0
52.747650146484375	180.0
53.098045349121094	156.0
55.97333908081055	156.0
57.14020919799805	160.0
60.905853271484375	176.0
61.26518630981445	164.0
61.425750732421875	180.0
61.90243911743164	264.0
63.72270965576172	184.0
65.40829467773438	140.0
67.04741668701172	156.0
67.10609436035156	164.0
67.20885467529297	152.0
68.20785522460938	224.0
69.75508117675781	156.0
70.16960144042969	188.0
72.23695373535156	212.0
76.14900207519531	144.0
76.37800598144531	192.0
77.12447357177734	164.0
77.44751739501953	216.0
78.44271850585938	160.0
78.46916198730469	156.0
79.761474609375	176.0
80.62590026855469	216.0
81.01238250732422	148.0
81.18624114990234	160.0
81.93037414550781	160.0
82.23511505126953	172.0
82.96045684814453	228.0
83.09647369384766	164.0
83.21263122558594	176.0
83.55066680908203	188.0
84.05718231201172	164.0
84.20140075683594	144.0
85.126220703125	172.0
86.07640075683594	192.0
87.02628326416016	224.0
87.10985565185547	140.0
88.48615264892578	148.0
88.50487518310547	160.0
88.64348602294922	252.0
91.0563735961914	168.0
91.99317932128906	156.0
92.26062774658203	164.0
92.41171264648438	188.0
92.94437408447266	180.0
93.65375518798828	244.0
93.6691665649414	268.0
94.00077056884766	176.0
94.68318176269531	168.0
94.75679016113281	204.0
95.06120300292969	164.0
95.76107788085938	156.0
96.82940673828125	164.0
97.70682525634766	224.0
99.95052337646484	224.0
100.36083984375	172.0
101.29414367675781	156.0
103.9961166381836	148.0
106.24278259277344	164.0
109.45677185058594	168.0
110.07125854492188	2380.0
110.66572570800781	156.0
110.7138900756836	196.0
111.07368469238281	332.0
112.04769134521484	188.0
112.08895111083984	376.0
114.05369567871094	140.0
114.08570098876953	240.0
114.28349304199219	176.0
115.08588409423828	260.0
116.08881378173828	280.0
116.67462158203125	228.0
116.95857238769531	148.0
117.43690490722656	176.0
119.45785522460938	224.0
119.70161437988281	160.0
120.53706359863281	156.0
121.73309326171875	160.0
123.73738861083984	160.0
124.90911102294922	140.0
125.42570495605469	184.0
128.21389770507812	180.0
129.1259765625	156.0
130.0647735595703	1516.0
130.09767150878906	884.0
130.1179656982422	160.0
130.138916015625	172.0
130.23883056640625	148.0
131.06858825683594	232.0
131.10337829589844	332.0
132.0828399658203	688.0
133.10498046875	140.0
133.18995666503906	200.0
134.7980499267578	152.0
135.3184814453125	140.0
135.61962890625	176.0
136.07386779785156	812.0
137.0767822265625	176.0
138.01747131347656	148.0
138.0634765625	344.0
138.81126403808594	152.0
140.08120727539062	328.0
141.79580688476562	212.0
141.88824462890625	152.0
142.0664825439453	196.0
142.46730041503906	168.0
142.89523315429688	148.0
143.94158935546875	152.0
144.73306274414062	192.0
145.4690704345703	140.0
147.25086975097656	196.0
147.7678985595703	188.0
148.0876922607422	144.0
148.3639373779297	172.0
148.47303771972656	168.0
148.7496337890625	148.0
149.2744140625	160.0
151.3191375732422	148.0
151.49790954589844	192.0
151.5518035888672	180.0
151.8852081298828	148.0
153.6490020751953	168.0
154.5062713623047	140.0
154.81466674804688	188.0
155.47509765625	228.0
156.07493591308594	160.0
157.1103515625	460.0
158.02171325683594	172.0
158.08741760253906	140.0
158.34963989257812	172.0
158.56509399414062	144.0
159.092529296875	10344.0
159.7988739013672	104.0
159.96412658691406	208.0
160.09478759765625	1864.0
160.27137756347656	236.0
160.65965270996094	196.0
160.98019409179688	156.0
161.01806640625	188.0
161.42494201660156	176.0
161.44769287109375	196.0
162.11854553222656	156.0
164.17770385742188	140.0
164.20065307617188	144.0
166.06182861328125	2792.0
167.0625	480.0
167.15438842773438	140.0
167.7957305908203	244.0
168.0742950439453	144.0
168.5132293701172	152.0
168.8389129638672	180.0
169.0753173828125	184.0
169.33323669433594	140.0
169.4342498779297	160.0
169.77639770507812	160.0
170.05950927734375	420.0
171.06175231933594	164.0
171.87564086914062	156.0
172.17062377929688	172.0
173.06753540039062	172.0
173.1036834716797	4456.0
173.798828125	212.0
174.10543823242188	404.0
174.12969970703125	252.0
174.36866760253906	152.0
174.9104766845703	240.0
175.11114501953125	244.0
176.0811309814453	5228.0
177.08395385742188	1072.0
178.09669494628906	140.0
178.53787231445312	160.0
179.0168914794922	252.0
179.0994415283203	148.0
180.91256713867188	144.0
182.00643920898438	180.0
182.0834197998047	144.0
183.088623046875	144.0
183.11436462402344	176.0
183.15208435058594	164.0
184.333740234375	172.0
185.06947326660156	168.0
185.09654235839844	148.0
187.08599853515625	128.0
187.8469696044922	160.0
188.07223510742188	228.0
189.4077911376953	144.0
190.40614318847656	140.0
191.80384826660156	140.0
192.1114959716797	144.0
192.15194702148438	324.0
193.10707092285156	192.0
193.5415496826172	156.0
200.1143341064453	168.0
201.12252807617188	1624.0
201.2901153564453	180.0
202.10923767089844	160.0
202.4495086669922	152.0
202.50332641601562	156.0
203.09266662597656	252.0
203.15809631347656	168.0
204.0780792236328	1588.0
205.07687377929688	452.0
205.10494995117188	480.0
206.0905303955078	180.0
206.11053466796875	152.0
209.13551330566406	240.0
209.16485595703125	176.0
209.89662170410156	160.0
211.0891876220703	184.0
214.66966247558594	144.0
215.13731384277344	212.0
215.9429473876953	168.0
216.0563507080078	172.0
217.07630920410156	160.0
217.42245483398438	204.0
218.15444946289062	188.0
218.93800354003906	176.0
219.567138671875	160.0
219.9166717529297	144.0
220.17213439941406	220.0
220.2961883544922	164.0
220.74542236328125	224.0
220.92584228515625	220.0
221.1044921875	43332.0
221.1606903076172	120.0
221.18145751953125	192.0
221.7460479736328	200.0
222.10653686523438	5344.0
222.23533630371094	168.0
222.4651641845703	100.0
222.6293487548828	180.0
222.88601684570312	168.0
223.10903930664062	1284.0
223.1578826904297	164.0
223.27642822265625	100.0
223.5529327392578	160.0
223.67250061035156	100.0
223.87913513183594	140.0
224.10400390625	152.0
224.26124572753906	140.0
225.12864685058594	168.0
225.1658477783203	136.0
225.37657165527344	168.0
226.11219787597656	144.0
226.1687469482422	148.0
227.15139770507812	136.0
228.11376953125	148.0
228.16795349121094	320.0
229.0956573486328	440.0
229.12393188476562	280.0
229.18418884277344	148.0
229.5760498046875	148.0
230.10018920898438	136.0
231.01373291015625	200.0
231.08685302734375	540.0
232.0646209716797	184.0
232.0912628173828	468.0
232.11920166015625	152.0
232.14952087402344	156.0
232.17074584960938	164.0
232.42556762695312	196.0
233.09207153320312	352.0
234.1094512939453	172.0
234.1552734375	180.0
235.13497924804688	184.0
236.0870819091797	180.0
236.13906860351562	120.0
237.1356658935547	408.0
237.62474060058594	148.0
238.1097412109375	164.0
239.0194549560547	168.0
239.0808868408203	152.0
239.14892578125	160.0
240.137939453125	184.0
240.17185974121094	172.0
240.50201416015625	168.0
240.89724731445312	172.0
241.09498596191406	156.0
241.1938934326172	160.0
243.17929077148438	144.0
244.17047119140625	128.0
245.3816680908203	140.0
246.09706115722656	176.0
246.12326049804688	584.0
246.82415771484375	216.0
247.10183715820312	128.0
247.16510009765625	188.0
247.65347290039062	164.0
248.11306762695312	676.0
248.3152618408203	104.0
248.62716674804688	100.0
248.8123779296875	188.0
248.86199951171875	116.0
249.03587341308594	172.0
249.09945678710938	71692.0
249.17323303222656	120.0
249.3531951904297	176.0
249.39456176757812	184.0
249.9168701171875	224.0
249.98924255371094	124.0
250.0400390625	140.0
250.10186767578125	7524.0
250.22314453125	204.0
250.66311645507812	96.0
251.10354614257812	2832.0
251.54574584960938	140.0
251.72943115234375	112.0
252.1065673828125	372.0
252.1627197265625	292.0
253.04212951660156	100.0
253.07632446289062	148.0
253.1002960205078	152.0
253.12344360351562	136.0
253.16610717773438	1080.0
254.16331481933594	484.0
255.06861877441406	144.0
256.1112976074219	432.0
257.0930480957031	332.0
258.0992736816406	236.0
261.1238098144531	224.0
262.0870361328125	144.0
262.1177062988281	108.0
263.14324951171875	184.0
266.1278076171875	152.0
267.1126403808594	204.0
267.1538391113281	212.0
267.8583984375	128.0
268.1911315917969	260.0
269.17254638671875	1752.0
270.1642761230469	304.0
270.1925048828125	592.0
272.1805114746094	180.0
273.0875244140625	144.0
274.1212463378906	1100.0
275.08197021484375	148.0
275.1179504394531	148.0
276.1184997558594	164.0
277.1354675292969	416.0
278.1191711425781	168.0
278.1901550292969	116.0
279.13250732421875	184.0
280.1090087890625	172.0
280.15118408203125	148.0
282.1770935058594	160.0
285.12689208984375	164.0
286.19793701171875	2716.0
287.1526184082031	132.0
287.18865966796875	156.0
288.08502197265625	136.0
288.1131591796875	228.0
288.1975402832031	348.0
291.10638427734375	144.0
291.133544921875	212.0
293.11676025390625	216.0
294.1709899902344	520.0
295.15203857421875	892.0
295.21612548828125	144.0
296.15130615234375	952.0
297.1508483886719	400.0
297.206298828125	212.0
298.11968994140625	152.0
298.197998046875	244.0
300.1731262207031	148.0
303.119873046875	188.0
304.10662841796875	136.0
305.12457275390625	160.0
306.1213073730469	1112.0
306.20867919921875	184.0
306.3323059082031	132.0
307.11907958984375	548.0
308.1321105957031	172.0
309.15472412109375	216.0
310.11431884765625	160.0
311.1105041503906	144.0
311.1701965332031	260.0
311.1986389160156	160.0
312.1773681640625	2092.0
313.1824645996094	688.0
314.1792297363281	160.0
314.2145080566406	140.0
315.15716552734375	172.0
315.2082824707031	316.0
318.1162109375	292.0
318.18890380859375	144.0
319.1651306152344	148.0
320.12432861328125	984.0
321.1241455078125	244.0
321.3172302246094	168.0
322.1061706542969	180.0
322.1531677246094	148.0
322.189208984375	320.0
323.17584228515625	312.0
324.1480407714844	1020.0
324.7441101074219	148.0
325.1421813964844	144.0
325.2141418457031	144.0
326.1192321777344	156.0
326.1551818847656	160.0
326.2270812988281	156.0
326.8780517578125	228.0
327.7026062011719	168.0
328.66168212890625	192.0
329.0328063964844	260.0
329.14678955078125	172.0
329.2057800292969	7520.0
329.7269592285156	152.0
329.9456481933594	168.0
330.2089538574219	1176.0
330.90618896484375	156.0
331.1524353027344	120.0
331.2025146484375	388.0
331.7104187011719	148.0
332.6717224121094	172.0
336.13897705078125	124.0
337.1207580566406	140.0
337.1627197265625	168.0
338.1334533691406	1940.0
338.18048095703125	128.0
338.6700744628906	160.0
339.1442565917969	312.0
340.1527099609375	208.0
340.19720458984375	2716.0
341.2010803222656	820.0
343.1496276855469	140.0
344.1490783691406	108.0
346.13507080078125	264.0
346.173583984375	372.0
347.1368103027344	188.0
348.1446228027344	124.0
349.1614990234375	144.0
350.1866760253906	144.0
352.1435852050781	604.0
353.1435546875	172.0
355.2177429199219	112.0
356.13739013671875	140.0
357.1308288574219	332.0
357.22491455078125	2364.0
358.1134338378906	148.0
358.22662353515625	792.0
358.6017761230469	180.0
359.2299499511719	256.0
361.16168212890625	144.0
362.17230224609375	144.0
363.199951171875	156.0
364.1855163574219	324.0
365.1584167480469	800.0
366.1657409667969	156.0
367.1396789550781	160.0
367.2174987792969	112.0
368.2044372558594	168.0
369.12158203125	132.0
369.23248291015625	160.0
370.177734375	196.0
371.1578369140625	148.0
372.6517333984375	164.0
373.164306640625	132.0
374.1497497558594	320.0
374.50592041015625	140.0
374.58294677734375	156.0
374.702392578125	160.0
374.76788330078125	156.0
375.1396789550781	1104.0
376.1434020996094	532.0
377.13555908203125	184.0
377.1662902832031	116.0
378.1567687988281	260.0
378.2203369140625	284.0
379.6809997558594	180.0
380.154296875	144.0
381.222900390625	128.0
382.2590637207031	168.0
383.25726318359375	152.0
383.33709716796875	124.0
384.23199462890625	160.0
385.13763427734375	160.0
386.2164001464844	144.0
387.14105224609375	956.0
387.2001647949219	148.0
388.1341247558594	256.0
388.16357421875	184.0
388.68841552734375	148.0
388.7198181152344	256.0
389.16851806640625	556.0
390.03155517578125	220.0
390.16705322265625	300.0
391.1856689453125	144.0
392.1664123535156	420.0
392.4289855957031	156.0
393.15228271484375	1372.0
393.2376708984375	140.0
394.15899658203125	672.0
395.1629638671875	156.0
395.2095642089844	212.0
398.1581115722656	160.0
399.2372741699219	116.0
399.27978515625	1380.0
400.0413818359375	100.0
400.1415100097656	164.0
400.28814697265625	396.0
401.1548767089844	140.0
401.2783203125	128.0
402.2718200683594	148.0
403.1987609863281	208.0
403.63818359375	160.0
405.1474914550781	908.0
405.2123107910156	180.0
406.14825439453125	212.0
406.2093811035156	208.0
407.1834411621094	3068.0
408.03936767578125	196.0
408.1847229003906	624.0
408.2317199707031	416.0
409.1509704589844	172.0
409.1963195800781	472.0
409.2713317871094	180.0
410.2306213378906	144.0
411.1858825683594	196.0
412.1734924316406	148.0
413.2879943847656	340.0
415.1937255859375	180.0
417.1629638671875	300.0
418.1640625	248.0
419.16864013671875	636.0
420.1741638183594	284.0
421.17877197265625	332.0
423.1416015625	160.0
423.2222900390625	200.0
423.3586120605469	160.0
424.2354431152344	268.0
425.2660217285156	920.0
426.2638854980469	116.0
427.23187255859375	144.0
427.57476806640625	208.0
428.8144226074219	176.0
432.2337646484375	152.0
433.2074279785156	772.0
433.72052001953125	156.0
434.2054138183594	308.0
434.23431396484375	288.0
435.01885986328125	172.0
435.1788635253906	8524.0
435.31365966796875	176.0
435.5420837402344	156.0
435.88690185546875	140.0
436.17913818359375	2596.0
436.9336242675781	148.0
437.18798828125	700.0
437.2554931640625	204.0
437.4437561035156	156.0
438.1769104003906	196.0
438.20623779296875	124.0
438.8838195800781	148.0
439.1791076660156	380.0
439.32318115234375	116.0
439.7473449707031	160.0
440.55322265625	188.0
441.18426513671875	168.0
441.7738952636719	140.0
442.10443115234375	152.0
442.28948974609375	3100.0
443.191162109375	96.0
443.2925720214844	1004.0
444.2370300292969	184.0
444.2813415527344	152.0
445.21258544921875	172.0
447.18255615234375	168.0
447.2270812988281	152.0
448.2185363769531	164.0
449.6481018066406	156.0
449.96044921875	152.0
450.2404479980469	256.0
451.2200927734375	108.0
452.2158508300781	276.0
452.26800537109375	148.0
453.1810302734375	160.0
453.2459716796875	288.0
453.3018798828125	140.0
453.7130126953125	184.0
454.7310485839844	164.0
456.21771240234375	232.0
456.2984924316406	160.0
456.72589111328125	164.0
457.2314758300781	164.0
459.18328857421875	160.0
460.2010192871094	132.0
460.25152587890625	400.0
460.7347717285156	144.0
461.180908203125	148.0
461.2295837402344	156.0
461.7437744140625	176.0
462.19293212890625	176.0
462.2438659667969	160.0
462.2828063964844	200.0
463.22674560546875	152.0
465.1199951171875	176.0
465.73260498046875	424.0
466.22589111328125	184.0
466.7259521484375	264.0
467.2299499511719	140.0
468.2442932128906	184.0
468.2956237792969	176.0
469.2930908203125	236.0
469.4567565917969	156.0
469.7457275390625	176.0
470.2308349609375	112.0
470.28692626953125	160.0
472.22796630859375	136.0
474.2729797363281	168.0
474.4723815917969	156.0
474.7343444824219	136.0
475.2660827636719	224.0
475.7451171875	180.0
476.21417236328125	212.0
476.3638000488281	128.0
476.7120361328125	160.0
477.197021484375	132.0
478.1932067871094	380.0
478.2616271972656	268.0
479.0440979003906	148.0
479.19891357421875	172.0
482.2844543457031	264.0
482.338623046875	144.0
482.75396728515625	168.0
483.2418212890625	128.0
483.2963562011719	184.0
483.7594909667969	180.0
485.2421569824219	264.0
486.1939697265625	136.0
486.2384338378906	228.0
486.31396484375	4148.0
486.43426513671875	196.0
487.1835632324219	196.0
487.2279052734375	132.0
487.31463623046875	1412.0
488.196533203125	152.0
488.2585144042969	144.0
488.3345031738281	244.0
489.1938781738281	252.0
489.2432556152344	160.0
489.7408447265625	200.0
492.29217529296875	200.0
493.2961730957031	296.0
493.7969665527344	224.0
494.21722412109375	1280.0
494.8944091796875	164.0
495.2117614746094	620.0
495.2571105957031	340.0
496.2169494628906	300.0
496.2767639160156	132.0
496.7335510253906	152.0
497.22607421875	160.0
497.5811767578125	164.0
497.71881103515625	172.0
497.88311767578125	192.0
499.17388916015625	104.0
499.240478515625	164.0
499.3096923828125	168.0
502.24981689453125	120.0
503.2600402832031	2220.0
503.71331787109375	244.0
504.19964599609375	3112.0
504.2492980957031	584.0
504.4236755371094	136.0
504.7412109375	160.0
505.1392517089844	144.0
505.1990661621094	1332.0
505.2693176269531	260.0
505.3047790527344	172.0
505.747802734375	168.0
506.2010192871094	608.0
506.26953125	112.0
507.109375	140.0
507.19891357421875	168.0
507.21331787109375	248.0
507.24749755859375	360.0
507.25994873046875	316.0
507.369384765625	152.0
507.7344970703125	148.0
507.9388732910156	164.0
508.1807861328125	104.0
508.19964599609375	136.0
508.2546691894531	308.0
508.6299133300781	156.0
509.2920837402344	96.0
510.2109680175781	144.0
511.1935729980469	156.0
511.28228759765625	340.0
511.7347412109375	116.0
511.784912109375	256.0
512.293212890625	1744.0
512.7381591796875	152.0
513.1419677734375	168.0
513.2534790039062	196.0
513.2936401367188	748.0
514.2844848632812	388.0
515.1863403320312	148.0
515.29931640625	160.0
515.9953002929688	156.0
516.76416015625	188.0
517.2167358398438	168.0
517.259765625	272.0
518.2719116210938	140.0
519.8408203125	208.0
520.2842407226562	648.0
520.839599609375	168.0
521.2449951171875	1272.0
521.287841796875	544.0
521.33935546875	224.0
521.7532348632812	716.0
521.9095458984375	100.0
521.9775390625	124.0
522.0803833007812	168.0
522.13623046875	128.0
522.20849609375	5020.0
522.6956787109375	120.0
522.7432250976562	140.0
523.2100219726562	1848.0
523.3330078125	168.0
524.2138061523438	804.0
524.550537109375	112.0
524.7520141601562	252.0
525.2135620117188	248.0
525.22705078125	132.0
525.3141479492188	156.0
525.7418212890625	148.0
526.2305908203125	368.0
526.26806640625	276.0
526.7634887695312	136.0
526.8662719726562	156.0
527.27294921875	368.0
529.2033081054688	252.0
529.31982421875	7476.0
530.3243408203125	1748.0
530.5009765625	120.0
530.7562866210938	120.0
530.7987060546875	144.0
531.3224487304688	460.0
531.73828125	140.0
532.3241577148438	108.0
532.9597778320312	144.0
533.4924926757812	96.0
533.76318359375	168.0
534.262451171875	260.0
534.7716064453125	328.0
535.2863159179688	196.0
535.77490234375	168.0
536.2823486328125	152.0
538.2071533203125	344.0
539.2402954101562	168.0
539.3011474609375	144.0
540.2268676757812	156.0
541.248291015625	152.0
542.1239624023438	152.0
542.3731079101562	1040.0
542.7822265625	136.0
543.2644653320312	436.0
543.3795776367188	520.0
543.7584228515625	276.0
544.2770385742188	276.0
544.4063720703125	224.0
544.7965087890625	140.0
545.2797241210938	232.0
547.2844848632812	108.0
547.7788696289062	136.0
547.9578247070312	120.0
548.2755737304688	188.0
548.7616577148438	156.0
549.278564453125	412.0
549.7786254882812	512.0
550.2015380859375	116.0
550.2769165039062	148.0
550.7769775390625	176.0
551.7815551757812	704.0
552.2822875976562	528.0
552.4791870117188	188.0
552.7753295898438	292.0
553.3074951171875	152.0
554.0333862304688	172.0
554.2664184570312	244.0
554.3285522460938	196.0
555.2445068359375	136.0
556.2011108398438	208.0
556.2607421875	108.0
557.221435546875	116.0
557.293212890625	160.0
558.2686767578125	204.0
559.2691650390625	164.0
559.3209228515625	232.0
560.2946166992188	140.0
560.7877197265625	172.0
561.0536499023438	120.0
561.25146484375	136.0
562.3062744140625	128.0
563.1495361328125	140.0
563.2648315429688	128.0
565.2919921875	112.0
566.2916259765625	180.0
567.2883911132812	144.0
567.740234375	176.0
567.7813720703125	208.0
568.3577270507812	620.0
568.77978515625	112.0
569.3511962890625	240.0
569.7620239257812	164.0
570.2724609375	188.0
570.7698974609375	304.0
572.2789916992188	368.0
573.2885131835938	212.0
574.265625	124.0
574.4656982421875	140.0
575.30078125	140.0
576.3583984375	268.0
576.3992919921875	140.0
576.790771484375	400.0
576.8294067382812	160.0
577.3001708984375	104.0
577.7283935546875	160.0
577.7825317382812	204.0
578.2499389648438	160.0
579.3208618164062	704.0
580.3136596679688	280.0
580.8228759765625	224.0
581.0243530273438	140.0
581.26904296875	188.0
581.3307495117188	112.0
581.7556762695312	192.0
582.9905395507812	204.0
583.8080444335938	128.0
584.0266723632812	244.0
584.7965087890625	200.0
585.2233276367188	160.0
585.383544921875	2404.0
585.66796875	156.0
585.7955322265625	1700.0
585.9329223632812	180.0
586.2947387695312	1104.0
586.3853759765625	928.0
586.6231079101562	148.0
586.7985229492188	748.0
587.022216796875	144.0
587.2862548828125	180.0
587.392822265625	296.0
587.7875366210938	144.0
588.0111694335938	164.0
588.3967895507812	108.0
588.6311645507812	120.0
589.3016357421875	116.0
589.3214721679688	248.0
589.781494140625	300.0
590.2890625	1180.0
590.7919921875	164.0
591.18017578125	152.0
591.2532348632812	144.0
591.2976684570312	468.0
591.3729858398438	104.0
591.9656372070312	164.0
592.212646484375	140.0
592.28857421875	208.0
593.2703247070312	128.0
594.3331909179688	116.0
597.2264404296875	148.0
598.2871704101562	692.0
598.6378173828125	216.0
598.7886352539062	2104.0
599.2821044921875	1124.0
599.5028686523438	140.0
599.76220703125	408.0
599.7966918945312	500.0
599.913818359375	112.0
600.1580810546875	188.0
600.2445678710938	152.0
600.298828125	136.0
600.6506958007812	164.0
600.745361328125	156.0
600.7921142578125	228.0
601.3088989257812	168.0
601.7095947265625	156.0
602.2418823242188	172.0
602.3408203125	228.0
602.56201171875	104.0
602.7191772460938	224.0
602.8170776367188	136.0
603.2107543945312	108.0
604.2598876953125	104.0
604.3404541015625	136.0
604.6094970703125	156.0
604.7337646484375	116.0
604.7811889648438	124.0
604.8374633789062	152.0
605.0319213867188	208.0
605.1485595703125	268.0
605.2144165039062	124.0
605.2963256835938	124.0
605.5524291992188	164.0
605.6359252929688	100.0
605.731201171875	152.0
605.9886474609375	184.0
606.0447998046875	212.0
606.2909545898438	588.0
606.5029907226562	100.0
606.5563354492188	308.0
606.6156005859375	260.0
606.6807250976562	116.0
606.7258911132812	220.0
606.7915649414062	520.0
606.84228515625	268.0
606.8919677734375	184.0
606.9367065429688	324.0
607.0042724609375	276.0
607.0902099609375	296.0
607.1700439453125	292.0
607.2129516601562	360.0
607.2986450195312	81396.0
607.4586181640625	140.0
607.503662109375	268.0
607.58740234375	184.0
607.6873779296875	348.0
607.7996826171875	52960.0
607.97265625	196.0
608.1024169921875	384.0
608.3014526367188	17148.0
608.4132080078125	268.0
608.458984375	216.0
608.6139526367188	324.0
608.6615600585938	152.0
608.8002319335938	5668.0
608.8978881835938	192.0
608.9304809570312	332.0
609.003662109375	204.0
609.1328735351562	216.0
609.3016357421875	1564.0
609.4075927734375	172.0
609.4970092773438	136.0
609.6085205078125	248.0
609.6547241210938	204.0
609.787353515625	248.0
609.8504638671875	196.0
609.9065551757812	128.0
609.9794311523438	160.0
610.2232666015625	128.0
610.3224487304688	228.0
610.4132690429688	160.0
610.5863647460938	164.0
610.6613159179688	100.0
610.725830078125	100.0
610.7774658203125	96.0
611.02392578125	196.0
611.2097778320312	108.0
611.2901611328125	152.0
611.3916015625	160.0
611.4625854492188	152.0
611.540771484375	116.0
611.6543579101562	136.0
611.7418823242188	256.0
611.9458618164062	172.0
611.9933471679688	112.0
612.0554809570312	116.0
612.098388671875	128.0
612.4081420898438	148.0
612.7001953125	204.0
613.1552124023438	148.0
613.3171997070312	148.0
613.826416015625	1248.0
613.9282836914062	120.0
614.0359497070312	184.0
614.1500244140625	124.0
614.3242797851562	1352.0
614.5933837890625	216.0
614.6749267578125	200.0
614.821044921875	360.0
614.8541870117188	556.0
615.270263671875	108.0
615.3325805664062	100.0
615.8078002929688	140.0
616.7811279296875	164.0
616.8773193359375	96.0
617.2830810546875	124.0
617.3289794921875	144.0
617.5772094726562	140.0
618.299072265625	120.0
618.3408203125	120.0
618.3936157226562	184.0
618.9331665039062	236.0
619.2797241210938	376.0
620.0279541015625	212.0
620.0725708007812	156.0
620.1072387695312	192.0
620.3129272460938	280.0
620.845947265625	168.0
621.2578125	188.0
622.1140747070312	184.0
622.3355102539062	260.0
624.583740234375	156.0
624.927490234375	116.0
625.2360229492188	112.0
625.3204345703125	324.0
625.8107299804688	228.0
625.9892578125	160.0
626.235107421875	164.0
626.3297119140625	408.0
626.4725341796875	236.0
626.8148803710938	3060.0
627.1018676757812	108.0
627.252197265625	112.0
627.314208984375	1496.0
627.6746215820312	124.0
627.7728271484375	248.0
627.820556640625	280.0
628.2420654296875	180.0
628.3146362304688	240.0
628.7551879882812	120.0
628.8203735351562	204.0
629.0267944335938	140.0
629.2450561523438	112.0
629.4046020507812	120.0
629.7666015625	116.0
630.1351928710938	96.0
630.3040161132812	208.0
630.3628540039062	140.0
630.4052124023438	144.0
630.455322265625	108.0
630.5255126953125	184.0
630.6007690429688	128.0
630.8110961914062	96.0
630.89111328125	180.0
631.1337890625	108.0
631.186767578125	176.0
631.3612670898438	304.0
631.466796875	112.0
631.501708984375	196.0
631.607177734375	116.0
631.7000732421875	104.0
631.7718505859375	96.0
631.9129638671875	156.0
631.9566650390625	104.0
632.1174926757812	120.0
632.2013549804688	96.0
632.30078125	196.0
632.3467407226562	952.0
632.41357421875	232.0
632.5208740234375	280.0
632.63818359375	132.0
632.7340087890625	200.0
632.7974853515625	300.0
632.8634643554688	204.0
632.9076538085938	244.0
633.0839233398438	116.0
633.1574096679688	132.0
633.2233276367188	120.0
633.3566284179688	280.0
633.5203247070312	120.0
633.663330078125	176.0
633.7323608398438	356.0
633.8386840820312	276.0
633.8825073242188	232.0
634.0344848632812	144.0
634.1581420898438	244.0
634.2110595703125	220.0
634.3216552734375	1020.0
634.4072875976562	168.0
634.4309692382812	204.0
634.5108032226562	104.0
634.5913696289062	280.0
634.6532592773438	156.0
634.6920776367188	476.0
634.7687377929688	168.0
634.8167114257812	548.0
634.8973999023438	220.0
634.9578857421875	116.0
635.0153198242188	196.0
635.0669555664062	160.0
635.1107177734375	312.0
635.2045288085938	420.0
635.3307495117188	139652.0
635.479248046875	232.0
635.5159912109375	384.0
635.54833984375	312.0
635.5712890625	256.0
635.6690673828125	260.0
635.6918334960938	268.0
635.8323364257812	137176.0
635.99072265625	268.0
636.1232299804688	468.0
636.163818359375	640.0
636.2534790039062	404.0
636.3324584960938	56896.0
636.4962158203125	304.0
636.6094970703125	368.0
636.6602783203125	788.0
636.712890625	352.0
636.7344970703125	324.0
636.8331909179688	14408.0
636.9093017578125	304.0
636.9746704101562	208.0
637.0106201171875	400.0
637.0819702148438	292.0
637.169921875	512.0
637.2166748046875	176.0
637.333984375	2408.0
637.4296264648438	360.0
637.4844970703125	236.0
637.5231323242188	124.0
637.5870971679688	224.0
637.6748046875	216.0
637.7494506835938	272.0
637.83544921875	1428.0
638.021728515625	212.0
638.1104125976562	152.0
638.1624755859375	220.0
638.2167358398438	148.0
638.2836303710938	212.0
638.3215942382812	228.0
638.3801879882812	188.0
638.5221557617188	152.0
638.7627563476562	256.0
638.9227294921875	180.0
639.0023193359375	216.0
639.0630493164062	144.0
639.1365966796875	188.0
639.1693725585938	160.0
639.2693481445312	732.0
639.3244018554688	264.0
639.5119018554688	228.0
639.5712280273438	256.0
639.6187133789062	116.0
639.7125854492188	184.0
639.7312622070312	220.0
639.7754516601562	196.0
639.8450927734375	368.0
639.8895874023438	148.0
639.951416015625	308.0
639.9860229492188	296.0
640.0831909179688	156.0
640.1719970703125	288.0
640.2694091796875	752.0
640.4105224609375	140.0
640.4682006835938	140.0
640.517578125	120.0
640.5811767578125	220.0
640.6928100585938	248.0
640.8534545898438	204.0
641.26123046875	272.0
641.4252319335938	180.0
641.6200561523438	108.0
641.7457885742188	112.0
641.7940063476562	144.0
642.1953125	132.0
642.27783203125	100.0
642.4430541992188	152.0
642.62646484375	104.0
642.779052734375	136.0
642.8992309570312	208.0
642.95654296875	120.0
643.301025390625	136.0
643.8035888671875	140.0
644.1754760742188	248.0
644.3555908203125	128.0
644.4366455078125	120.0
644.5545043945312	140.0
644.8588256835938	116.0
645.7952880859375	128.0
646.2635498046875	160.0
646.3681030273438	152.0
647.37548828125	100.0
648.3599243164062	168.0
648.511962890625	152.0
649.2459716796875	132.0
649.3776245117188	3824.0
649.8176879882812	116.0
650.3194580078125	100.0
650.3787841796875	1544.0
650.48095703125	136.0
651.3798217773438	352.0
652.38818359375	232.0
652.6744384765625	160.0
652.8578491210938	176.0
654.3215942382812	156.0
654.8143310546875	144.0
655.8616333007812	188.0
656.3555908203125	108.0
657.2757568359375	844.0
658.2186279296875	156.0
658.2827758789062	288.0
658.8379516601562	148.0
659.296875	280.0
659.3696899414062	204.0
660.91845703125	124.0
661.375	128.0
662.3692016601562	140.0
663.3733520507812	176.0
664.3192749023438	168.0
664.3921508789062	276.0
665.295166015625	116.0
665.7376098632812	128.0
665.869384765625	148.0
667.2666625976562	460.0
668.267578125	668.0
669.397216796875	188.0
671.4379272460938	216.0
674.3768310546875	224.0
675.3594970703125	1516.0
676.3594970703125	772.0
676.6051025390625	188.0
677.0244750976562	176.0
677.365478515625	252.0
678.3811645507812	120.0
678.5213012695312	136.0
680.101318359375	112.0
681.8231811523438	148.0
682.3704223632812	116.0
684.3460693359375	212.0
685.270263671875	1056.0
686.2711181640625	496.0
687.282470703125	392.0
687.326171875	212.0
687.8023681640625	204.0
688.3557739257812	176.0
689.3460693359375	132.0
690.3777465820312	128.0
691.0894775390625	140.0
692.383544921875	4000.0
692.556640625	108.0
693.38525390625	1180.0
694.3896484375	604.0
695.012451171875	140.0
695.3101806640625	108.0
695.3887329101562	124.0
696.329833984375	96.0
696.3998413085938	144.0
700.3687133789062	132.0
701.1981201171875	184.0
701.3784790039062	212.0
701.435302734375	164.0
702.3555297851562	124.0
702.4160766601562	160.0
703.3259887695312	152.0
703.3658447265625	168.0
704.3955688476562	164.0
705.1968383789062	104.0
705.3757934570312	140.0
705.4339599609375	788.0
706.3975219726562	560.0
706.4329833984375	448.0
707.4032592773438	292.0
708.4175415039062	308.0
713.3363037109375	112.0
714.3665771484375	132.0
714.7496337890625	140.0
716.7144165039062	200.0
717.711181640625	152.0
718.3968505859375	456.0
719.3994750976562	600.0
720.3894653320312	244.0
722.3953247070312	208.0
723.3717651367188	176.0
726.3052368164062	356.0
726.997314453125	180.0
727.3598022460938	124.0
728.3596801757812	112.0
729.1309204101562	156.0
729.3355712890625	140.0
730.3651733398438	232.0
731.33642578125	108.0
731.418701171875	332.0
732.3251342773438	152.0
732.3848266601562	316.0
733.2158203125	108.0
733.2644653320312	128.0
733.4331665039062	268.0
734.5242919921875	156.0
736.2938842773438	136.0
736.409912109375	9676.0
736.5993041992188	168.0
737.2828979492188	140.0
737.4147338867188	5156.0
737.5523681640625	164.0
738.2927856445312	136.0
738.4083251953125	1076.0
738.5321044921875	184.0
739.4108276367188	380.0
741.2025146484375	212.0
741.3094482421875	264.0
741.409912109375	96.0
742.2809448242188	164.0
743.3043212890625	104.0
743.39892578125	100.0
744.313232421875	352.0
744.37353515625	280.0
745.3677978515625	152.0
745.3783569335938	356.0
746.3663940429688	308.0
747.3992919921875	292.0
748.3630981445312	140.0
748.4447021484375	1176.0
749.3869018554688	124.0
749.4468994140625	312.0
750.3970336914062	344.0
750.5120849609375	144.0
751.4089965820312	172.0
752.3818969726562	140.0
753.2059936523438	108.0
753.3793334960938	132.0
754.2909545898438	1084.0
754.5980834960938	120.0
755.2927856445312	528.0
755.9306640625	148.0
756.2972412109375	248.0
756.7626953125	212.0
757.4600219726562	132.0
758.181396484375	180.0
758.371337890625	388.0
759.3294677734375	344.0
760.3806762695312	224.0
761.4017944335938	1028.0
762.3906860351562	3328.0
763.3241577148438	168.0
763.3875732421875	2416.0
764.3967895507812	720.0
764.4685668945312	120.0
764.6262817382812	112.0
765.408935546875	292.0
766.4143676757812	212.0
767.427978515625	252.0
772.302734375	1064.0
772.4874877929688	116.0
773.3131103515625	572.0
774.3193969726562	264.0
775.298583984375	160.0
775.394287109375	340.0
775.539306640625	120.0
776.3713989257812	496.0
777.2672119140625	144.0
777.3554077148438	424.0
777.3765258789062	400.0
777.3912963867188	304.0
777.7464599609375	124.0
778.3817749023438	304.0
778.44482421875	108.0
779.0271606445312	252.0
779.4151611328125	8080.0
779.521484375	424.0
780.0819091796875	164.0
780.2177124023438	120.0
780.4176025390625	3620.0
781.0999755859375	140.0
781.42578125	932.0
781.62353515625	192.0
782.1473999023438	240.0
782.2933959960938	112.0
782.4117431640625	304.0
783.4274291992188	260.0
784.5103149414062	136.0
785.2166748046875	144.0
786.365966796875	168.0
786.7901611328125	176.0
787.3780517578125	116.0
788.4019165039062	152.0
789.3348388671875	112.0
789.4097900390625	212.0
789.9364013671875	140.0
790.3759765625	160.0
792.4757080078125	1708.0
793.3944702148438	1488.0
793.4733276367188	836.0
794.4006958007812	496.0
794.4794921875	516.0
795.3972778320312	388.0
795.52587890625	112.0
798.3719482421875	140.0
801.3999633789062	124.0
803.4567260742188	144.0
804.3363037109375	116.0
805.4847412109375	172.0
813.387939453125	204.0
817.41455078125	108.0
817.4758911132812	136.0
818.4412231445312	508.0
819.4207763671875	116.0
819.4600830078125	352.0
820.3222045898438	96.0
821.407470703125	104.0
821.48486328125	148.0
821.9564208984375	180.0
822.3583374023438	112.0
828.3688354492188	184.0
830.3837890625	208.0
835.4774169921875	1552.0
835.6431274414062	168.0
835.8502197265625	160.0
836.1986694335938	116.0
836.4725341796875	644.0
837.4718627929688	276.0
838.4646606445312	152.0
838.5050048828125	152.0
848.4280395507812	180.0
849.3963623046875	124.0
849.4517822265625	172.0
850.46240234375	280.0
851.4786376953125	148.0
855.426513671875	164.0
857.48583984375	140.0
858.3783569335938	156.0
860.3938598632812	104.0
860.4432373046875	240.0
864.1486206054688	180.0
867.3794555664062	768.0
868.2898559570312	132.0
868.3955688476562	760.0
868.78271484375	140.0
869.3846435546875	184.0
870.3942260742188	112.0
871.4421997070312	168.0
872.4517211914062	104.0
874.4163208007812	124.0
880.458740234375	152.0
881.461669921875	192.0
881.74853515625	148.0
882.7061767578125	144.0
885.3949584960938	388.0
886.4006958007812	152.0
887.4471435546875	100.0
888.4208374023438	272.0
889.43603515625	120.0
890.433837890625	96.0
890.6631469726562	112.0
891.4307250976562	188.0
891.4943237304688	140.0
892.4724731445312	156.0
895.3970336914062	108.0
896.4066162109375	148.0
897.9681396484375	120.0
900.4370727539062	140.0
901.2299194335938	104.0
902.4247436523438	208.0
903.4337768554688	172.0
904.4153442382812	100.0
904.4866943359375	360.0
904.6128540039062	168.0
905.45654296875	632.0
905.5606689453125	184.0
906.4630126953125	356.0
907.47900390625	144.0
908.4540405273438	120.0
909.4320678710938	140.0
913.4434204101562	104.0
913.4893798828125	140.0
914.4214477539062	196.0
919.939208984375	108.0
920.5762329101562	120.0
921.234130859375	140.0
921.4697875976562	144.0
922.2708740234375	176.0
922.4915161132812	6388.0
922.6249389648438	228.0
922.6748657226562	160.0
923.2328491210938	128.0
923.3389892578125	120.0
923.493408203125	3476.0
923.5960693359375	244.0
924.0535888671875	108.0
924.4961547851562	824.0
925.4935913085938	388.0
925.7401123046875	148.0
926.4525146484375	96.0
926.6426391601562	160.0
928.1133422851562	128.0
928.4271240234375	140.0
929.4943237304688	112.0
930.458251953125	244.0
931.5187377929688	160.0
932.0814819335938	140.0
932.47802734375	336.0
933.4584350585938	224.0
935.49267578125	188.0
936.5067749023438	132.0
941.4525756835938	1000.0
942.4557495117188	1000.0
943.3910522460938	100.0
943.458740234375	96.0
944.4774780273438	96.0
947.4807739257812	480.0
948.4721069335938	2256.0
949.4680786132812	1056.0
949.5645751953125	132.0
950.4750366210938	376.0
951.48095703125	224.0
953.9530639648438	160.0
955.8797607421875	120.0
958.4476318359375	244.0
959.4512329101562	124.0
960.3322143554688	156.0
960.5359497070312	116.0
961.4942016601562	104.0
961.5609741210938	248.0
961.9550170898438	160.0
962.520751953125	164.0
963.5485229492188	112.0
963.8118286132812	116.0
964.521484375	132.0
965.4954833984375	4040.0
965.625244140625	148.0
966.4974975585938	1996.0
967.4969482421875	768.0
968.4929809570312	192.0
970.15771484375	192.0
975.4804077148438	224.0
976.4972534179688	120.0
978.556640625	1396.0
978.7439575195312	144.0
979.5538940429688	612.0
980.5543212890625	412.0
981.5490112304688	220.0
987.48583984375	140.0
987.6744384765625	152.0
999.4738159179688	148.0
1000.4916381835938	128.0
1004.5349731445312	304.0
1005.5310668945312	352.0
1006.463623046875	116.0
1007.5266723632812	112.0
1013.494873046875	256.0
1014.5054321289062	140.0
1015.5103759765625	100.0
1016.8088989257812	188.0
1020.50390625	112.0
1021.5550537109375	1128.0
1022.5567626953125	460.0
1023.318115234375	152.0
1023.4877319335938	152.0
1023.5503540039062	428.0
1024.46435546875	352.0
1025.4520263671875	196.0
1025.542724609375	168.0
1026.482421875	156.0
1027.4715576171875	124.0
1041.4791259765625	1136.0
1042.400634765625	120.0
1042.510009765625	436.0
1043.4715576171875	264.0
1049.4632568359375	260.0
1051.5040283203125	108.0
1053.6387939453125	128.0
1067.5277099609375	176.0
1097.5455322265625	1108.0
1098.561767578125	332.0
1099.5130615234375	132.0
1099.5552978515625	184.0
1099.6468505859375	164.0
1099.8668212890625	108.0
1101.5350341796875	108.0
1105.574951171875	168.0
1128.557373046875	232.0
1152.56396484375	108.0
1153.5263671875	140.0
1165.2027587890625	180.0
1168.9151611328125	140.0
1170.58203125	840.0
1171.5833740234375	1096.0
1172.583740234375	340.0
1173.5537109375	228.0
1173.6173095703125	140.0
1196.55419921875	324.0
1197.554443359375	196.0
1198.6270751953125	184.0
1204.91259765625	140.0
1213.07861328125	164.0
1213.57568359375	656.0
1214.58447265625	532.0
1215.5924072265625	228.0
1226.640625	140.0
1284.6370849609375	140.0
1352.090576171875	128.0
1365.2552490234375	96.0
1369.992919921875	160.0
1375.416015625	108.0
1385.6177978515625	160.0
1425.300048828125	112.0
1463.95166015625	148.0
1467.4119873046875	148.0
1504.5321044921875	100.0
1522.9190673828125	152.0
1527.9952392578125	168.0
1534.4639892578125	100.0
1549.62939453125	184.0
1597.9892578125	216.0
1607.3673095703125	168.0
1612.2225341796875	140.0
1615.9327392578125	224.0
1645.4366455078125	144.0
1658.346923828125	204.0
1688.36474609375	168.0
1702.5587158203125	160.0
1721.22705078125	184.0
1760.964599609375	176.0
1763.7135009765625	216.0
1768.69873046875	164.0
1775.1329345703125	204.0
1821.1536865234375	216.0
1850.9853515625	192.0
1857.8076171875	152.0
1858.0391845703125	176.0
1892.5401611328125	172.0
1911.0013427734375	160.0
1912.6199951171875	164.0
1917.811279296875	180.0
1929.412353515625	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079059
PEPMASS=297.201202
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_C2_D11_BD1_01_15723.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Palonosetron hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]4CN5CCC4CC5
INCHI=InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1
INCHIAUX=CPZBLNMUGSZIPR-NVXWUHKLSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079059
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079059
SCANS=1072
45.037628173828125	216.0
45.43705749511719	160.0
45.771732330322266	140.0
46.23746871948242	200.0
46.41086196899414	164.0
46.477325439453125	240.0
47.47861099243164	156.0
47.58152389526367	152.0
47.75022888183594	160.0
48.39636993408203	176.0
48.43653106689453	156.0
48.78413391113281	192.0
49.00472640991211	184.0
49.1148567199707	144.0
49.76700973510742	152.0
50.47718048095703	156.0
50.55498123168945	200.0
50.87105178833008	196.0
50.88241195678711	148.0
50.93211364746094	196.0
50.977577209472656	140.0
51.004581451416016	144.0
51.078521728515625	148.0
51.417625427246094	180.0
51.44902801513672	164.0
51.868167877197266	168.0
52.26742172241211	140.0
52.38692092895508	276.0
52.51088333129883	180.0
52.96472930908203	140.0
53.02875900268555	168.0
53.068115234375	200.0
53.39580154418945	156.0
53.470001220703125	152.0
53.51075744628906	140.0
53.65499496459961	164.0
54.00984573364258	152.0
55.147911071777344	180.0
55.26621627807617	216.0
55.307655334472656	168.0
55.757057189941406	160.0
56.05766677856445	208.0
56.273948669433594	160.0
56.33891677856445	136.0
56.369544982910156	224.0
56.528053283691406	140.0
57.00791931152344	180.0
57.95100784301758	168.0
58.20734786987305	216.0
58.271141052246094	216.0
58.54037094116211	144.0
59.55281448364258	140.0
59.59407043457031	140.0
60.04069900512695	152.0
60.303157806396484	172.0
60.76927185058594	164.0
61.78508377075195	156.0
61.85393524169922	164.0
62.15870666503906	208.0
63.33408737182617	172.0
63.61634063720703	160.0
63.67667770385742	148.0
64.31514739990234	240.0
64.44129943847656	188.0
64.59637451171875	152.0
65.31178283691406	236.0
65.55811309814453	180.0
66.41175079345703	148.0
66.63089752197266	220.0
66.83250427246094	204.0
67.61906433105469	156.0
67.80577087402344	152.0
68.04197692871094	240.0
68.43492126464844	144.0
68.44644165039062	164.0
68.46126556396484	176.0
68.58483123779297	144.0
68.59636688232422	200.0
68.8091812133789	140.0
69.18280792236328	196.0
69.26394653320312	200.0
69.61223602294922	184.0
70.42724609375	108.0
70.51852416992188	192.0
70.72090148925781	144.0
70.92524719238281	140.0
71.2205581665039	172.0
71.64277648925781	148.0
72.10004425048828	180.0
72.16258239746094	168.0
72.32498931884766	196.0
73.09378051757812	148.0
73.3407211303711	140.0
73.66834259033203	176.0
73.95732879638672	168.0
74.03437042236328	144.0
74.34465789794922	212.0
74.89999389648438	180.0
75.04130554199219	160.0
75.08953857421875	136.0
75.72734069824219	160.0
75.81396484375	148.0
76.04462432861328	204.0
76.46870422363281	148.0
76.48785400390625	188.0
76.97077178955078	156.0
77.10724639892578	164.0
77.50601959228516	140.0
77.60417938232422	148.0
77.90603637695312	172.0
79.2929458618164	172.0
79.65373992919922	104.0
80.5401840209961	224.0
80.7457275390625	156.0
81.07872009277344	248.0
81.0948486328125	192.0
81.64781951904297	172.0
81.70897674560547	176.0
81.77375793457031	140.0
81.85116577148438	144.0
82.08722686767578	164.0
83.2017822265625	172.0
83.26896667480469	148.0
83.69267272949219	164.0
84.0809555053711	152.0
84.19049072265625	156.0
84.77772521972656	164.0
84.87120819091797	156.0
84.99813079833984	144.0
85.1923828125	212.0
85.47174835205078	148.0
86.31481170654297	176.0
86.47232055664062	112.0
86.62459564208984	136.0
86.9038314819336	152.0
87.11918640136719	184.0
87.34085083007812	184.0
87.72957611083984	184.0
88.16073608398438	144.0
89.00743865966797	188.0
89.27615356445312	140.0
89.32988739013672	204.0
89.52701568603516	184.0
89.54527282714844	172.0
90.2132339477539	180.0
90.29304504394531	268.0
90.57655334472656	196.0
90.95388793945312	196.0
91.05809783935547	188.0
91.87109375	152.0
93.07061767578125	292.0
93.29781341552734	176.0
93.44975280761719	196.0
93.62876892089844	148.0
93.6884765625	172.0
93.7405014038086	144.0
94.06381225585938	532.0
94.08381652832031	160.0
94.8033447265625	152.0
95.07447052001953	548.0
95.17578125	140.0
95.56490325927734	160.0
95.81761932373047	140.0
95.90921020507812	140.0
96.3541259765625	176.0
96.81575012207031	192.0
96.89213562011719	184.0
97.22940063476562	204.0
97.48374938964844	164.0
97.66163635253906	168.0
98.22103118896484	164.0
98.31207275390625	136.0
98.45589447021484	164.0
98.71477508544922	152.0
99.20381164550781	156.0
99.30890655517578	140.0
100.36554718017578	272.0
100.8160171508789	164.0
100.86198425292969	160.0
101.02395629882812	140.0
101.11599731445312	164.0
101.97439575195312	228.0
102.07691955566406	140.0
103.31329345703125	140.0
103.44888305664062	148.0
103.79533386230469	196.0
103.91094207763672	172.0
104.57949829101562	172.0
104.74214172363281	164.0
104.76072692871094	176.0
105.07059478759766	148.0
105.23999786376953	148.0
105.47492980957031	160.0
107.21952819824219	152.0
107.90069580078125	184.0
108.07992553710938	508.0
108.754150390625	260.0
109.01375579833984	140.0
109.8465576171875	140.0
109.91364288330078	164.0
109.94462585449219	144.0
110.04293060302734	192.0
110.09735870361328	39768.0
110.14659881591797	168.0
110.40631103515625	164.0
110.43900299072266	124.0
110.75164794921875	164.0
111.04297637939453	192.0
111.1002426147461	2064.0
111.15206909179688	140.0
111.29136657714844	112.0
111.55320739746094	148.0
111.64470672607422	108.0
111.81243896484375	280.0
112.03346252441406	112.0
112.1119384765625	1040.0
113.106689453125	168.0
113.23322296142578	128.0
113.30479431152344	140.0
114.1197738647461	232.0
114.47950744628906	132.0
115.06361389160156	160.0
115.61508178710938	184.0
115.74352264404297	148.0
115.94274139404297	176.0
117.06843566894531	160.0
117.35286712646484	168.0
118.23419189453125	192.0
118.30128479003906	200.0
118.35108184814453	144.0
119.12315368652344	172.0
119.56560516357422	112.0
119.84890747070312	216.0
120.01981353759766	160.0
121.15850830078125	148.0
121.4939193725586	220.0
121.91329193115234	208.0
122.04078674316406	184.0
122.5404052734375	164.0
122.60651397705078	168.0
122.90420532226562	144.0
123.41221618652344	144.0
123.58916473388672	236.0
123.70187377929688	112.0
123.84001159667969	140.0
124.08306884765625	148.0
124.76685333251953	148.0
124.88471221923828	140.0
125.5194091796875	140.0
125.65546417236328	168.0
126.08975982666016	428.0
126.50244903564453	184.0
126.6390380859375	168.0
126.97746276855469	184.0
127.32083129882812	164.0
127.61650848388672	144.0
127.6871566772461	188.0
128.0044708251953	164.0
128.1044921875	152.0
128.4281463623047	184.0
129.0649871826172	176.0
129.1893768310547	140.0
129.50628662109375	200.0
129.78501892089844	160.0
129.96875	152.0
130.49569702148438	140.0
130.60711669921875	156.0
131.10800170898438	160.0
131.12623596191406	196.0
131.82228088378906	140.0
132.80442810058594	156.0
133.0361785888672	188.0
134.3409881591797	180.0
134.97149658203125	164.0
135.13339233398438	152.0
135.2629852294922	140.0
135.34402465820312	196.0
135.89797973632812	168.0
135.9420623779297	152.0
136.7073974609375	140.0
136.76641845703125	160.0
136.9114532470703	164.0
137.2260284423828	208.0
137.302978515625	144.0
138.04327392578125	184.0
139.78382873535156	180.0
140.86363220214844	180.0
141.29388427734375	160.0
141.9120330810547	168.0
142.0672149658203	428.0
142.21092224121094	148.0
142.35812377929688	192.0
142.6551055908203	164.0
143.08364868164062	516.0
143.28150939941406	204.0
143.38107299804688	152.0
143.5240936279297	160.0
143.7316131591797	168.0
144.03720092773438	160.0
144.08645629882812	356.0
144.13514709472656	184.0
144.3294677734375	192.0
144.3789825439453	140.0
145.10218811035156	3468.0
145.45542907714844	284.0
145.478759765625	144.0
145.62762451171875	144.0
145.74053955078125	148.0
145.97369384765625	212.0
146.10360717773438	140.0
146.14207458496094	176.0
146.9178466796875	176.0
147.06021118164062	216.0
147.2074737548828	180.0
148.2040557861328	140.0
148.2451934814453	172.0
148.4512939453125	168.0
148.77096557617188	196.0
149.3401641845703	160.0
150.20973205566406	260.0
150.80551147460938	188.0
152.118408203125	188.0
152.67369079589844	152.0
152.9073944091797	184.0
153.0713348388672	188.0
153.6638946533203	180.0
154.0668182373047	172.0
154.21456909179688	156.0
154.46441650390625	156.0
154.9272003173828	164.0
155.0400848388672	108.0
155.08245849609375	140.0
155.72840881347656	176.0
155.85012817382812	200.0
156.08750915527344	160.0
156.37484741210938	144.0
156.57310485839844	132.0
156.6487274169922	140.0
157.06930541992188	200.0
157.0919952392578	216.0
157.96424865722656	172.0
159.0780487060547	388.0
159.19989013671875	140.0
159.24508666992188	192.0
159.32546997070312	144.0
160.3667755126953	200.0
161.3036651611328	144.0
161.35928344726562	148.0
161.4857940673828	148.0
161.69570922851562	208.0
161.86785888671875	156.0
162.49136352539062	220.0
163.309326171875	144.0
163.97894287109375	160.0
166.40652465820312	200.0
167.35525512695312	164.0
167.70303344726562	152.0
168.07528686523438	124.0
169.08792114257812	152.0
169.65667724609375	152.0
169.9736328125	172.0
170.0955810546875	3232.0
170.46714782714844	152.0
170.65235900878906	168.0
170.9558868408203	212.0
171.0818328857422	800.0
171.09933471679688	976.0
171.182373046875	168.0
171.3751220703125	164.0
172.0427703857422	172.0
172.07769775390625	328.0
172.1128387451172	2392.0
173.0901641845703	172.0
173.11434936523438	212.0
174.12576293945312	136.0
174.7816162109375	172.0
174.99745178222656	140.0
175.1001434326172	176.0
175.46377563476562	188.0
175.74334716796875	160.0
176.47067260742188	128.0
176.57015991210938	176.0
177.2425537109375	140.0
177.7941131591797	148.0
178.482666015625	140.0
178.58584594726562	160.0
178.88385009765625	148.0
178.97970581054688	212.0
179.10487365722656	164.0
179.69134521484375	144.0
180.07305908203125	100.0
180.49261474609375	164.0
180.9581756591797	216.0
181.0733184814453	476.0
181.10879516601562	164.0
181.30104064941406	160.0
181.7467041015625	236.0
182.0938720703125	172.0
182.3584442138672	152.0
183.0972442626953	224.0
183.23568725585938	192.0
183.70745849609375	144.0
184.11375427246094	496.0
184.32435607910156	116.0
184.70152282714844	172.0
185.08164978027344	720.0
185.1210174560547	296.0
185.65757751464844	144.0
186.02658081054688	164.0
186.09320068359375	488.0
186.12957763671875	292.0
186.55902099609375	260.0
186.70584106445312	156.0
187.01055908203125	204.0
187.09658813476562	192.0
187.30189514160156	148.0
187.71823120117188	168.0
187.84161376953125	172.0
187.9398193359375	152.0
188.0244140625	156.0
188.04246520996094	208.0
188.0743865966797	104.0
188.10797119140625	20204.0
188.25718688964844	180.0
188.32473754882812	156.0
188.57447814941406	108.0
188.73191833496094	184.0
188.9178924560547	172.0
189.11083984375	2324.0
189.14541625976562	140.0
190.11094665527344	168.0
190.3101348876953	152.0
190.8734130859375	200.0
191.03567504882812	272.0
191.65237426757812	212.0
191.95005798339844	196.0
192.39703369140625	180.0
192.5709991455078	152.0
192.9357452392578	144.0
192.98826599121094	208.0
193.8297119140625	196.0
193.96551513671875	172.0
194.33712768554688	208.0
194.80908203125	144.0
195.11912536621094	124.0
195.35671997070312	148.0
195.9385528564453	172.0
196.11351013183594	168.0
196.230224609375	160.0
196.63845825195312	244.0
197.096435546875	164.0
198.09371948242188	112.0
198.1320343017578	544.0
198.2324981689453	220.0
198.31097412109375	156.0
198.36703491210938	140.0
198.5520782470703	144.0
198.82420349121094	140.0
198.9785919189453	148.0
199.76547241210938	172.0
199.902587890625	136.0
199.951171875	212.0
200.10780334472656	7140.0
200.6348114013672	192.0
201.1092987060547	1256.0
201.6122589111328	156.0
201.85488891601562	168.0
201.92417907714844	144.0
202.0618438720703	176.0
202.1199188232422	604.0
203.1298370361328	152.0
203.51296997070312	152.0
203.5652618408203	140.0
203.83108520507812	196.0
204.0527801513672	164.0
204.0812225341797	140.0
205.7213592529297	200.0
205.81602478027344	220.0
206.1877899169922	140.0
206.27420043945312	172.0
206.3878936767578	180.0
207.5303192138672	196.0
208.08251953125	140.0
208.1156463623047	156.0
209.4298553466797	200.0
209.56813049316406	140.0
210.12738037109375	348.0
210.19960021972656	176.0
210.31214904785156	196.0
211.24546813964844	156.0
211.7664794921875	164.0
212.14739990234375	184.0
212.98916625976562	144.0
213.07473754882812	200.0
214.1219024658203	440.0
214.47735595703125	172.0
214.7339324951172	176.0
215.13754272460938	136.0
216.14039611816406	408.0
216.5576934814453	160.0
216.5782012939453	144.0
217.3768768310547	140.0
217.5335693359375	260.0
217.8130645751953	144.0
217.8571319580078	192.0
219.107421875	144.0
219.14572143554688	168.0
219.41981506347656	160.0
220.29629516601562	140.0
220.8520050048828	156.0
222.04856872558594	196.0
222.12400817871094	188.0
222.5975799560547	164.0
223.13697814941406	288.0
223.70953369140625	168.0
224.14166259765625	984.0
225.14939880371094	428.0
225.9208221435547	188.0
226.12428283691406	160.0
226.42869567871094	172.0
227.0590362548828	184.0
227.3290252685547	164.0
229.10597229003906	148.0
229.12904357910156	116.0
229.18128967285156	204.0
229.61236572265625	192.0
229.6938018798828	160.0
230.61471557617188	172.0
230.8748016357422	156.0
231.71014404296875	224.0
232.0222930908203	176.0
232.0850067138672	164.0
232.16177368164062	184.0
232.62295532226562	200.0
232.9387664794922	176.0
232.99343872070312	160.0
233.1301727294922	224.0
233.96461486816406	140.0
234.12799072265625	244.0
235.13710021972656	160.0
235.95266723632812	160.0
236.14552307128906	312.0
237.14700317382812	124.0
237.45921325683594	180.0
237.71078491210938	156.0
238.13136291503906	156.0
238.16123962402344	140.0
239.12051391601562	148.0
239.1658935546875	120.0
239.4230499267578	208.0
239.49697875976562	204.0
239.59246826171875	228.0
239.78042602539062	188.0
239.80508422851562	144.0
240.09487915039062	176.0
240.13829040527344	220.0
240.17591857910156	292.0
241.56634521484375	196.0
241.64862060546875	184.0
241.92095947265625	208.0
242.1531524658203	528.0
242.60867309570312	156.0
243.16189575195312	152.0
243.25701904296875	180.0
243.45262145996094	164.0
243.87203979492188	172.0
244.1665802001953	168.0
244.4402618408203	184.0
244.8084716796875	152.0
245.00469970703125	200.0
246.91810607910156	268.0
247.24795532226562	148.0
247.4344024658203	176.0
247.53146362304688	188.0
247.61915588378906	148.0
247.77264404296875	152.0
248.1455841064453	156.0
248.95199584960938	172.0
249.96734619140625	256.0
250.1616668701172	828.0
250.52777099609375	156.0
250.7956085205078	196.0
251.16749572753906	276.0
251.82102966308594	176.0
251.94422912597656	164.0
252.17506408691406	1840.0
252.70614624023438	196.0
253.17770385742188	252.0
253.9415740966797	140.0
254.00184631347656	156.0
254.1096954345703	252.0
254.15220642089844	504.0
254.2239227294922	152.0
254.28140258789062	128.0
254.55723571777344	148.0
255.14505004882812	304.0
255.69851684570312	212.0
255.7589874267578	144.0
257.0445556640625	144.0
257.2508850097656	132.0
257.9503479003906	176.0
258.0174865722656	204.0
258.63165283203125	140.0
259.42413330078125	160.0
259.4509582519531	136.0
260.2024230957031	156.0
260.3083801269531	196.0
260.6167297363281	196.0
260.6617126464844	144.0
260.7291259765625	168.0
260.90277099609375	176.0
260.9284973144531	176.0
261.0892639160156	232.0
261.3948669433594	184.0
262.1671447753906	248.0
262.96429443359375	180.0
262.99981689453125	180.0
263.2354736328125	164.0
263.35174560546875	168.0
264.1436462402344	152.0
264.9659118652344	144.0
265.591552734375	216.0
265.99591064453125	136.0
267.2515869140625	144.0
267.8343200683594	144.0
267.9678649902344	188.0
267.9906921386719	144.0
268.16943359375	1984.0
269.1355285644531	164.0
269.17327880859375	812.0
269.1999816894531	956.0
269.27740478515625	252.0
269.32891845703125	184.0
269.57977294921875	184.0
270.17852783203125	144.0
270.2081604003906	220.0
271.1080017089844	140.0
271.1506042480469	160.0
271.2095947265625	176.0
271.4653015136719	148.0
271.9049072265625	168.0
271.9967956542969	184.0
272.1675109863281	152.0
272.7030029296875	180.0
272.7325744628906	168.0
273.59771728515625	168.0
275.536865234375	168.0
275.7120056152344	196.0
276.4726257324219	144.0
276.5454406738281	152.0
276.80035400390625	156.0
277.96051025390625	164.0
278.0534362792969	148.0
278.182861328125	164.0
278.36248779296875	156.0
278.8771057128906	140.0
279.1330871582031	144.0
279.1846923828125	580.0
279.57550048828125	228.0
279.7485656738281	216.0
280.1181945800781	220.0
280.1695556640625	568.0
280.4880676269531	148.0
280.68145751953125	152.0
280.78814697265625	208.0
281.11724853515625	304.0
281.17303466796875	120.0
281.2452392578125	160.0
281.302001953125	192.0
281.3353576660156	140.0
281.4255065917969	120.0
281.5891418457031	168.0
282.1003723144531	140.0
282.1404724121094	140.0
282.168701171875	128.0
282.4615173339844	164.0
283.6971435546875	140.0
283.74407958984375	220.0
284.0760803222656	176.0
284.8116149902344	172.0
285.3589782714844	148.0
285.59100341796875	204.0
286.9346008300781	188.0
287.1976318359375	160.0
287.4067687988281	140.0
287.4844055175781	140.0
287.7341613769531	140.0
287.9739990234375	168.0
289.3874206542969	140.0
289.86163330078125	164.0
290.7213134765625	116.0
290.8009948730469	164.0
291.5787658691406	148.0
292.1954040527344	148.0
292.23504638671875	220.0
292.623046875	244.0
292.93634033203125	168.0
292.9874572753906	144.0
293.04876708984375	144.0
293.4714050292969	156.0
293.51171875	132.0
293.6248474121094	144.0
293.7101135253906	156.0
293.82611083984375	164.0
293.88751220703125	164.0
294.0685119628906	108.0
294.1776123046875	152.0
294.31439208984375	296.0
294.53955078125	160.0
294.5791931152344	152.0
294.6238708496094	124.0
294.6548767089844	132.0
294.8572998046875	108.0
295.0726623535156	144.0
295.1788635253906	1056.0
295.21722412109375	188.0
295.2852478027344	120.0
295.3941345214844	156.0
295.4831848144531	124.0
295.59429931640625	204.0
295.6349792480469	140.0
295.6609802246094	220.0
295.8314514160156	160.0
295.8673400878906	152.0
295.8854064941406	124.0
295.9429931640625	228.0
295.9938049316406	248.0
296.0539855957031	116.0
296.1154479980469	112.0
296.1781921386719	256.0
296.2071228027344	284.0
296.2814025878906	128.0
296.3103942871094	252.0
296.37982177734375	188.0
296.4415588378906	356.0
296.4964294433594	196.0
296.55682373046875	292.0
296.5943298339844	140.0
296.6327209472656	208.0
296.68231201171875	148.0
296.6988525390625	168.0
296.7532653808594	320.0
296.7945861816406	776.0
296.8210144042969	184.0
296.84552001953125	384.0
296.8590393066406	252.0
296.87298583984375	484.0
296.9022521972656	312.0
296.9385681152344	568.0
296.9748229980469	372.0
297.0481262207031	336.0
297.1020202636719	392.0
297.1125183105469	548.0
297.15814208984375	748.0
297.1990661621094	360148.0
297.32403564453125	516.0
297.39093017578125	248.0
297.40447998046875	240.0
297.435791015625	164.0
297.4835205078125	216.0
297.52447509765625	480.0
297.6132507324219	336.0
297.6728515625	192.0
297.72216796875	740.0
297.76275634765625	10820.0
297.8000793457031	380.0
297.84808349609375	300.0
297.86431884765625	256.0
297.8962097167969	248.0
297.94952392578125	408.0
297.98828125	264.0
298.01800537109375	220.0
298.0561218261719	500.0
298.0816345214844	236.0
298.12469482421875	224.0
298.2008056640625	121508.0
298.32562255859375	264.0
298.3824157714844	284.0
298.4103088378906	108.0
298.43572998046875	284.0
298.46063232421875	144.0
298.6053161621094	196.0
298.6494445800781	336.0
298.7733154296875	108.0
298.81072998046875	236.0
299.0158386230469	124.0
299.0963134765625	96.0
299.1346130371094	296.0
299.2030334472656	10648.0
299.2840576171875	212.0
299.4185791015625	168.0
299.5599365234375	128.0
299.6168212890625	172.0
299.6591491699219	352.0
299.69110107421875	260.0
299.7344665527344	120.0
299.74713134765625	104.0
299.7774353027344	176.0
299.8277282714844	208.0
299.9197998046875	124.0
300.01336669921875	220.0
300.08673095703125	476.0
300.1159973144531	388.0
300.1390380859375	268.0
300.1641540527344	460.0
300.2052001953125	272.0
300.2398376464844	288.0
300.26324462890625	464.0
300.36077880859375	148.0
300.39825439453125	144.0
300.40972900390625	124.0
300.6182861328125	144.0
300.745361328125	184.0
300.7786865234375	212.0
300.80938720703125	336.0
300.89459228515625	152.0
300.9824523925781	180.0
301.00579833984375	220.0
301.080078125	252.0
301.1441955566406	200.0
301.23675537109375	192.0
301.30078125	164.0
301.331298828125	152.0
301.3889465332031	124.0
301.4364318847656	160.0
301.5958251953125	132.0
301.67974853515625	200.0
301.9112854003906	108.0
303.06903076171875	104.0
309.6917419433594	104.0
323.6033630371094	116.0
362.0247802734375	164.0
415.3825988769531	180.0
416.8644714355469	140.0
442.0544738769531	164.0
482.5487060546875	144.0
770.971435546875	172.0
920.8335571289062	100.0
1022.968505859375	144.0
1219.8681640625	148.0
1256.9393310546875	148.0
1276.6434326171875	104.0
1288.314208984375	184.0
1343.5579833984375	228.0
1379.0548095703125	180.0
1392.918212890625	220.0
1427.1842041015625	188.0
1472.833740234375	176.0
1489.9737548828125	228.0
1503.255615234375	152.0
1513.3040771484375	140.0
1524.994384765625	164.0
1529.2242431640625	128.0
1537.2213134765625	148.0
1546.3648681640625	172.0
1546.685791015625	160.0
1561.4520263671875	164.0
1576.9996337890625	184.0
1578.746826171875	148.0
1580.566162109375	192.0
1588.0762939453125	212.0
1592.7989501953125	140.0
1610.7772216796875	196.0
1624.23291015625	212.0
1637.35791015625	144.0
1664.521484375	184.0
1672.2607421875	140.0
1678.867919921875	184.0
1678.9739990234375	200.0
1702.296875	152.0
1715.502197265625	144.0
1724.0283203125	160.0
1739.9232177734375	216.0
1743.1541748046875	148.0
1744.3011474609375	276.0
1751.7987060546875	168.0
1762.6865234375	152.0
1764.74267578125	180.0
1767.176513671875	188.0
1772.62744140625	148.0
1776.0396728515625	196.0
1779.8328857421875	140.0
1780.7314453125	160.0
1783.386474609375	224.0
1784.134521484375	172.0
1824.876708984375	224.0
1828.6451416015625	176.0
1829.632568359375	172.0
1843.697998046875	176.0
1844.159423828125	196.0
1884.670166015625	140.0
1888.3009033203125	236.0
1890.654052734375	172.0
1895.57275390625	180.0
1897.8697509765625	176.0
1900.541259765625	164.0
1921.6055908203125	188.0
1922.591552734375	140.0
1929.9554443359375	152.0
1944.17236328125	140.0
1947.2625732421875	192.0
1956.1519775390625	176.0
1961.37548828125	152.0
1963.25341796875	172.0
1963.5003662109375	168.0
1972.815673828125	196.0
1977.9210205078125	140.0
1979.8941650390625	160.0
1981.2227783203125	140.0
1981.3114013671875	164.0
1989.008544921875	148.0
1998.419677734375	144.0
2003.3785400390625	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079060
PEPMASS=347.226318
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_C2_D11_BD1_01_15723.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Reichsteins substance S [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC12CCC3C(CCC4=CC(=O)CCC34C)C2CCC1(O)C(=O)CO
INCHI=InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3
INCHIAUX=WHBHBVVOGNECLV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079060
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079060
SCANS=1225
45.38606643676758	140.0
45.48668670654297	168.0
45.742088317871094	164.0
49.279563903808594	216.0
56.35308074951172	168.0
62.615413665771484	164.0
71.22891998291016	212.0
73.8355712890625	200.0
75.68573760986328	176.0
78.4762191772461	148.0
85.56751251220703	152.0
85.94959259033203	172.0
91.05447387695312	188.0
92.29886627197266	164.0
93.51127624511719	200.0
97.0665283203125	164.0
98.06626892089844	116.0
105.06964111328125	636.0
106.52196502685547	196.0
107.08785247802734	136.0
107.98748779296875	172.0
108.15921783447266	184.0
109.06879425048828	200.0
109.1571273803711	144.0
110.07190704345703	324.0
111.0492172241211	148.0
111.32203674316406	164.0
115.0528793334961	196.0
117.07064056396484	156.0
119.0859146118164	552.0
119.7212142944336	140.0
120.09171295166016	176.0
121.03797912597656	188.0
121.06544494628906	676.0
121.09844970703125	272.0
122.06864166259766	132.0
123.0795669555664	488.0
123.11163330078125	160.0
123.65327453613281	152.0
124.09490203857422	208.0
124.17835235595703	176.0
124.5290298461914	160.0
125.09603118896484	164.0
125.8763656616211	172.0
127.0738525390625	168.0
128.06138610839844	176.0
129.0677032470703	156.0
130.07762145996094	176.0
131.08657836914062	356.0
132.3368682861328	140.0
133.06085205078125	196.0
133.10147094726562	596.0
135.08042907714844	408.0
135.11842346191406	288.0
136.08518981933594	116.0
136.51345825195312	152.0
137.09388732910156	280.0
138.10400390625	224.0
139.73434448242188	196.0
141.07077026367188	140.0
141.4452667236328	164.0
141.87876892089844	184.0
141.98309326171875	164.0
142.07469177246094	320.0
143.08348083496094	432.0
143.1427764892578	140.0
144.06100463867188	216.0
144.09339904785156	168.0
145.1009521484375	1100.0
146.09939575195312	164.0
147.08047485351562	440.0
147.11715698242188	824.0
147.56500244140625	196.0
148.08892822265625	168.0
148.11578369140625	136.0
149.0969696044922	464.0
149.12855529785156	152.0
150.101318359375	256.0
151.10011291503906	144.0
154.20460510253906	156.0
155.00144958496094	140.0
155.0848846435547	316.0
155.12289428710938	176.0
156.08836364746094	276.0
157.0674285888672	160.0
157.0999298095703	1120.0
158.1060028076172	256.0
159.08045959472656	208.0
159.12014770507812	412.0
160.13534545898438	148.0
161.0965576171875	676.0
161.133056640625	324.0
162.1312255859375	212.0
163.1114501953125	708.0
163.91514587402344	156.0
164.11634826660156	184.0
165.08462524414062	148.0
165.12774658203125	152.0
167.08493041992188	152.0
167.40151977539062	164.0
169.0996856689453	692.0
171.08265686035156	260.0
171.11819458007812	888.0
171.78433227539062	180.0
172.12063598632812	328.0
173.0949249267578	376.0
173.13296508789062	260.0
174.09910583496094	280.0
174.14891052246094	180.0
174.63157653808594	148.0
175.1137237548828	524.0
175.14561462402344	116.0
175.3608856201172	160.0
176.11578369140625	480.0
177.12745666503906	448.0
179.11363220214844	184.0
181.1085968017578	232.0
182.11386108398438	168.0
183.1144561767578	132.0
184.12843322753906	156.0
185.1311798095703	412.0
186.12965393066406	172.0
187.1121063232422	464.0
187.15310668945312	140.0
188.72361755371094	172.0
189.09292602539062	184.0
189.12550354003906	440.0
190.13168334960938	168.0
191.13784790039062	184.0
191.39886474609375	168.0
193.11993408203125	540.0
194.1068115234375	172.0
195.11683654785156	160.0
196.1231231689453	132.0
197.0992431640625	184.0
197.13278198242188	328.0
198.05523681640625	272.0
198.1399383544922	172.0
199.1068115234375	292.0
200.0692901611328	224.0
200.1593780517578	180.0
201.1255340576172	608.0
201.16329956054688	148.0
203.10572814941406	312.0
203.14463806152344	152.0
204.1468505859375	132.0
205.12167358398438	104.0
206.11624145507812	184.0
206.9657745361328	236.0
207.13723754882812	128.0
209.13421630859375	304.0
210.13894653320312	172.0
211.1116485595703	120.0
211.14744567871094	640.0
211.31190490722656	160.0
212.11724853515625	128.0
212.4446563720703	236.0
212.47946166992188	160.0
213.1248321533203	276.0
213.16114807128906	292.0
215.1072998046875	140.0
215.1442108154297	480.0
216.1490936279297	176.0
216.18870544433594	152.0
217.76596069335938	192.0
218.11561584472656	156.0
219.10997009277344	160.0
219.13815307617188	172.0
220.1239013671875	144.0
221.1287841796875	172.0
223.1532440185547	472.0
225.12635803222656	304.0
225.1651611328125	428.0
226.12832641601562	144.0
226.15606689453125	152.0
227.1431884765625	500.0
228.15052795410156	172.0
229.12388610839844	116.0
229.16006469726562	280.0
230.16465759277344	136.0
231.1529083251953	148.0
231.17408752441406	144.0
233.13870239257812	152.0
234.96336364746094	176.0
235.14341735839844	324.0
236.1580352783203	160.0
237.08201599121094	184.0
237.1287841796875	476.0
237.16883850097656	192.0
239.14442443847656	284.0
241.12281799316406	148.0
241.16087341308594	780.0
241.18771362304688	148.0
242.12828063964844	168.0
242.20260620117188	160.0
243.1688690185547	276.0
245.15341186523438	464.0
246.01809692382812	208.0
246.14234924316406	140.0
247.16696166992188	164.0
248.1580047607422	148.0
248.18309020996094	180.0
249.16180419921875	124.0
250.16549682617188	148.0
251.14109802246094	300.0
251.17662048339844	256.0
252.17967224121094	116.0
253.15719604492188	848.0
253.19566345214844	140.0
254.16188049316406	148.0
255.1693878173828	252.0
259.1607666015625	152.0
263.1804504394531	192.0
265.153564453125	332.0
265.1992492675781	208.0
267.17578125	252.0
268.17877197265625	176.0
269.18841552734375	712.0
270.1485290527344	172.0
270.1934509277344	172.0
271.1690979003906	500.0
271.2057800292969	188.0
272.1805114746094	448.0
272.21990966796875	148.0
273.1894836425781	216.0
275.1797790527344	192.0
276.17364501953125	148.0
277.1811218261719	176.0
278.1656494140625	136.0
281.1874084472656	384.0
282.2005615234375	292.0
282.6119079589844	156.0
283.1669006347656	440.0
283.2061462402344	116.0
284.2079162597656	352.0
287.20758056640625	172.0
293.1928405761719	1264.0
294.1959533691406	268.0
296.1846923828125	144.0
299.1940002441406	140.0
300.17718505859375	172.0
301.193359375	116.0
303.1926574707031	152.0
307.0376892089844	180.0
311.19842529296875	1352.0
312.20501708984375	916.0
314.1827392578125	144.0
314.34857177734375	148.0
315.30560302734375	212.0
322.0025939941406	148.0
329.2118225097656	4136.0
329.2825927734375	140.0
330.2139587402344	1232.0
331.21624755859375	632.0
332.9040832519531	144.0
334.9881286621094	232.0
345.1999206542969	144.0
346.2063293457031	148.0
346.9390563964844	156.0
347.2227783203125	24760.0
348.0592346191406	96.0
348.16656494140625	192.0
348.2263488769531	2864.0
349.1596374511719	168.0
349.2269287109375	436.0
350.22442626953125	168.0
350.4425354003906	112.0
351.1942138671875	112.0
388.2412414550781	156.0
398.1866149902344	140.0
1142.8505859375	144.0
1271.537841796875	172.0
1559.3834228515625	140.0
1612.75	156.0
1665.47900390625	172.0
1713.9271240234375	172.0
1717.348388671875	148.0
1726.1187744140625	176.0
1744.7823486328125	240.0
1766.2637939453125	176.0
1772.542724609375	188.0
1782.125	168.0
1786.908935546875	176.0
1843.611572265625	152.0
1843.833740234375	168.0
1848.69970703125	160.0
1996.283935546875	224.0
2002.33544921875	200.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079061
PEPMASS=275.135406
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_C2_D11_BD1_01_15723.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=DEXCHLORPHENIRAMINE MALEATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CC[C@@H](c1ccc(Cl)cc1)c2ccccn2
INCHI=InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1
INCHIAUX=SOYKEARSMXGVTM-HNNXBMFYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079061
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079061
SCANS=1061
45.05308151245117	196.0
45.965816497802734	140.0
46.0589714050293	172.0
46.32952117919922	160.0
46.69329833984375	172.0
47.05576705932617	228.0
47.07488250732422	180.0
47.200599670410156	156.0
47.69185256958008	144.0
47.92258834838867	276.0
48.8265266418457	144.0
49.26140213012695	244.0
49.73890686035156	152.0
49.88640213012695	152.0
50.01581573486328	200.0
50.33867263793945	192.0
50.6469841003418	180.0
50.79865646362305	188.0
50.9974479675293	232.0
51.04249954223633	180.0
51.36338424682617	144.0
51.79793167114258	140.0
51.8839111328125	148.0
52.023067474365234	152.0
52.03455352783203	148.0
52.532493591308594	212.0
52.57866668701172	232.0
52.94008255004883	160.0
53.03425216674805	184.0
53.31290817260742	188.0
53.433597564697266	152.0
53.5104866027832	164.0
54.194786071777344	184.0
54.238243103027344	140.0
54.351165771484375	216.0
54.65016174316406	180.0
55.24399948120117	196.0
55.306148529052734	164.0
55.58680725097656	212.0
56.16946029663086	160.0
56.30352783203125	160.0
56.43379211425781	176.0
56.52204132080078	192.0
56.76620864868164	152.0
56.9808464050293	140.0
56.99286651611328	144.0
57.21696853637695	152.0
58.75887680053711	236.0
59.23527145385742	176.0
59.881927490234375	176.0
59.934303283691406	156.0
59.945091247558594	152.0
60.173370361328125	244.0
60.37579345703125	144.0
61.40620803833008	196.0
61.495967864990234	176.0
61.93376541137695	200.0
61.99800109863281	148.0
62.18733215332031	172.0
62.6579475402832	192.0
63.57807540893555	136.0
64.89437866210938	120.0
65.19438934326172	144.0
66.24475860595703	212.0
66.47174072265625	208.0
66.69586181640625	176.0
67.20069885253906	236.0
67.74183654785156	160.0
68.28184509277344	212.0
68.6408462524414	156.0
68.68537902832031	144.0
69.06198120117188	148.0
69.12484741210938	140.0
69.43297576904297	260.0
69.65039825439453	152.0
69.84820556640625	148.0
69.97301483154297	140.0
70.1562728881836	160.0
70.58201599121094	140.0
70.76606750488281	204.0
70.84477996826172	168.0
71.09796142578125	184.0
71.3331069946289	164.0
71.7219467163086	152.0
73.26229858398438	148.0
74.1319808959961	216.0
74.27599334716797	140.0
74.36865234375	148.0
74.65556335449219	192.0
75.09300231933594	148.0
75.14302825927734	204.0
75.47637939453125	168.0
75.9110107421875	220.0
76.15397644042969	148.0
76.33019256591797	180.0
76.38340759277344	196.0
76.6166763305664	200.0
76.65152740478516	172.0
76.68986511230469	188.0
76.77005767822266	172.0
77.1087417602539	140.0
77.40614318847656	148.0
77.47444915771484	152.0
77.9007339477539	164.0
78.9388427734375	140.0
79.40104675292969	200.0
79.61933898925781	152.0
79.70816040039062	160.0
79.75970458984375	336.0
79.97689056396484	224.0
80.22786712646484	152.0
80.70992279052734	216.0
80.75820922851562	244.0
80.77787780761719	180.0
80.89598846435547	164.0
81.25260925292969	208.0
81.37644958496094	172.0
81.883544921875	204.0
81.96641540527344	140.0
82.10521697998047	168.0
82.20804595947266	164.0
82.54584503173828	212.0
82.5928726196289	232.0
83.21807861328125	160.0
83.29617309570312	192.0
83.59616088867188	168.0
83.86387634277344	140.0
84.28543853759766	140.0
84.60367584228516	144.0
84.84733581542969	148.0
84.9461441040039	172.0
85.65774536132812	204.0
85.94165802001953	152.0
86.59236145019531	172.0
87.0337142944336	204.0
87.0689926147461	156.0
87.48735809326172	200.0
87.8153076171875	168.0
88.25041198730469	148.0
88.28781127929688	152.0
88.40326690673828	156.0
88.8197250366211	140.0
88.94731903076172	292.0
89.13888549804688	148.0
89.50142669677734	184.0
89.59420776367188	192.0
89.63188934326172	168.0
90.35691833496094	180.0
90.47046661376953	272.0
90.53673553466797	168.0
90.6674575805664	152.0
91.05257415771484	228.0
91.11905670166016	188.0
91.56036376953125	184.0
92.05046081542969	208.0
92.95588684082031	140.0
93.23049926757812	156.0
93.50438690185547	144.0
93.85610961914062	192.0
94.06446838378906	184.0
94.36583709716797	148.0
94.63090515136719	156.0
95.78250885009766	140.0
95.82731628417969	188.0
96.10612487792969	196.0
96.22908782958984	172.0
96.94891357421875	156.0
96.99790954589844	192.0
97.30786895751953	144.0
97.54950714111328	248.0
97.64978790283203	220.0
97.95487213134766	140.0
98.11843872070312	164.0
98.19306945800781	160.0
98.72659301757812	140.0
99.22358703613281	292.0
99.42987823486328	176.0
99.68009948730469	148.0
99.76953887939453	196.0
100.12969207763672	216.0
100.15557861328125	232.0
100.22332000732422	168.0
100.25719451904297	144.0
100.40471649169922	180.0
100.72605895996094	240.0
101.69717407226562	168.0
101.8075942993164	224.0
102.2498779296875	148.0
102.32435607910156	208.0
102.9093246459961	144.0
103.33818054199219	136.0
103.47920227050781	152.0
103.52982330322266	252.0
103.75878143310547	172.0
104.14434051513672	168.0
104.32315063476562	152.0
104.45532989501953	156.0
104.65476989746094	184.0
104.89720916748047	144.0
104.96856689453125	160.0
106.4398193359375	156.0
106.61648559570312	148.0
106.708984375	168.0
106.93690490722656	160.0
106.99495697021484	204.0
107.17620086669922	292.0
107.28749084472656	168.0
108.0867919921875	168.0
108.17070007324219	176.0
108.436767578125	156.0
108.97837829589844	148.0
109.0615005493164	204.0
110.05937957763672	192.0
110.63014221191406	176.0
111.6519775390625	156.0
111.95923614501953	188.0
112.08773040771484	160.0
112.39949798583984	136.0
112.4990005493164	204.0
112.65316009521484	144.0
112.67851257324219	180.0
112.76676177978516	156.0
112.90045166015625	196.0
112.96390533447266	140.0
113.49336242675781	148.0
114.93352508544922	156.0
115.36477661132812	164.0
115.46843719482422	152.0
116.04986572265625	264.0
116.31541442871094	128.0
116.33949279785156	140.0
116.50863647460938	140.0
116.76924133300781	140.0
116.91768646240234	204.0
117.0582275390625	932.0
117.54045867919922	188.0
117.93998718261719	164.0
117.96809387207031	160.0
118.06566619873047	3340.0
118.22099304199219	172.0
118.64875793457031	148.0
118.89640808105469	100.0
119.0721206665039	832.0
119.10354614257812	140.0
120.52177429199219	192.0
121.49825286865234	208.0
121.51799774169922	164.0
122.62187957763672	144.0
122.7872314453125	200.0
122.80487060546875	168.0
122.84899139404297	152.0
122.88235473632812	128.0
122.97034454345703	152.0
123.37678527832031	168.0
123.49840545654297	140.0
123.84811401367188	152.0
124.04532623291016	168.0
124.31591033935547	216.0
124.34919738769531	256.0
124.5533447265625	220.0
124.91578674316406	196.0
125.01541137695312	1444.0
125.08712768554688	168.0
125.14142608642578	164.0
125.711181640625	176.0
126.0172348022461	168.0
126.18024444580078	164.0
126.22117614746094	168.0
126.45314025878906	192.0
126.54940032958984	180.0
127.0131607055664	604.0
127.7320785522461	176.0
127.79956817626953	156.0
127.91659545898438	196.0
128.0224151611328	180.0
128.06295776367188	176.0
129.5696563720703	168.0
129.59457397460938	140.0
129.71694946289062	168.0
130.50927734375	172.0
130.7481231689453	188.0
130.94163513183594	148.0
131.0373077392578	192.0
131.10110473632812	180.0
131.1551513671875	152.0
131.3473358154297	176.0
132.037109375	164.0
133.57510375976562	116.0
133.59913635253906	140.0
133.65435791015625	140.0
133.8707275390625	180.0
134.27403259277344	216.0
134.32037353515625	128.0
134.37545776367188	144.0
135.050048828125	180.0
135.08937072753906	224.0
135.98094177246094	164.0
136.96728515625	156.0
137.01620483398438	384.0
137.14903259277344	200.0
137.2758026123047	212.0
137.51756286621094	164.0
137.87722778320312	140.0
138.6120147705078	172.0
139.05369567871094	276.0
139.64495849609375	196.0
139.68130493164062	184.0
139.837890625	168.0
140.05775451660156	156.0
140.36558532714844	160.0
140.4646453857422	172.0
140.83522033691406	208.0
140.8706512451172	144.0
140.9320831298828	252.0
141.04788208007812	184.0
141.16845703125	148.0
141.96176147460938	144.0
142.71923828125	188.0
142.8214874267578	184.0
143.23565673828125	152.0
143.5264129638672	148.0
143.58460998535156	108.0
143.7339324951172	164.0
143.9559326171875	176.0
144.08489990234375	176.0
144.3358612060547	148.0
144.40283203125	196.0
144.5750732421875	188.0
144.8096923828125	164.0
145.688232421875	172.0
145.7596893310547	152.0
145.91592407226562	172.0
146.1083221435547	176.0
146.15643310546875	148.0
146.25750732421875	228.0
146.6230926513672	172.0
146.647705078125	224.0
147.03358459472656	196.0
147.1349639892578	260.0
147.38856506347656	140.0
147.68592834472656	192.0
147.70590209960938	184.0
147.8431854248047	172.0
147.99082946777344	208.0
148.05137634277344	192.0
148.6622772216797	140.0
148.99005126953125	176.0
149.10911560058594	248.0
149.18446350097656	196.0
150.0511474609375	220.0
150.27308654785156	208.0
150.5122833251953	140.0
151.05239868164062	152.0
151.57386779785156	140.0
151.81900024414062	184.0
152.0177001953125	172.0
152.05697631835938	184.0
152.1846160888672	152.0
152.23951721191406	112.0
152.495361328125	192.0
152.5727996826172	152.0
153.21018981933594	188.0
153.30381774902344	172.0
153.3580322265625	204.0
154.4592742919922	176.0
154.58792114257812	160.0
155.22207641601562	148.0
155.73826599121094	164.0
156.52911376953125	184.0
156.6586151123047	144.0
158.06202697753906	180.0
158.2144317626953	144.0
158.3371124267578	160.0
158.94900512695312	140.0
159.08432006835938	176.0
159.48622131347656	152.0
160.93980407714844	196.0
160.98777770996094	144.0
161.3769073486328	204.0
161.52105712890625	152.0
162.1920623779297	200.0
163.02996826171875	156.0
163.08804321289062	172.0
163.29653930664062	172.0
164.03492736816406	140.0
164.73486328125	220.0
164.9820098876953	204.0
165.09451293945312	156.0
165.43736267089844	152.0
166.02923583984375	188.0
166.0667266845703	624.0
166.14723205566406	196.0
166.55538940429688	184.0
166.61961364746094	152.0
167.02577209472656	248.0
167.07388305664062	64740.0
167.5472412109375	160.0
167.91952514648438	164.0
168.0763702392578	6768.0
168.2686767578125	156.0
168.64244079589844	240.0
168.77598571777344	100.0
168.92686462402344	140.0
168.99412536621094	196.0
169.0841522216797	480.0
169.11119079589844	144.0
169.14271545410156	116.0
169.2080535888672	116.0
169.32496643066406	224.0
169.38385009765625	192.0
169.6603240966797	224.0
170.08775329589844	176.0
170.22177124023438	212.0
170.4225311279297	208.0
170.8575439453125	188.0
171.0078582763672	172.0
171.05471801757812	140.0
171.26040649414062	184.0
171.33767700195312	188.0
171.4767303466797	148.0
172.058349609375	156.0
172.87646484375	180.0
173.09373474121094	176.0
173.15396118164062	152.0
174.19525146484375	156.0
174.77627563476562	140.0
175.02896118164062	140.0
175.16326904296875	168.0
175.5471649169922	200.0
175.803955078125	144.0
177.06072998046875	160.0
177.16297912597656	180.0
177.77281188964844	228.0
177.82057189941406	140.0
177.87896728515625	176.0
178.07708740234375	212.0
178.46240234375	144.0
179.22999572753906	148.0
179.98484802246094	156.0
180.08132934570312	7844.0
181.08380126953125	868.0
181.28219604492188	200.0
181.306640625	164.0
181.63072204589844	176.0
181.82933044433594	196.0
182.53309631347656	140.0
182.55999755859375	176.0
183.12783813476562	260.0
183.70530700683594	120.0
183.75466918945312	164.0
184.30943298339844	148.0
185.0721893310547	164.0
186.3795623779297	196.0
186.41488647460938	148.0
187.69424438476562	160.0
187.89608764648438	156.0
187.96429443359375	152.0
188.8904571533203	144.0
189.0630340576172	156.0
189.4324493408203	140.0
189.91761779785156	140.0
190.1837615966797	196.0
190.25514221191406	104.0
190.66714477539062	152.0
191.9913330078125	164.0
192.08078002929688	408.0
192.27273559570312	156.0
192.72283935546875	148.0
192.7740478515625	172.0
193.08770751953125	896.0
193.2066650390625	144.0
193.2675323486328	192.0
193.4806365966797	164.0
193.740966796875	236.0
194.09637451171875	5820.0
194.6701202392578	180.0
194.74232482910156	176.0
195.10389709472656	2676.0
195.21755981445312	164.0
195.470703125	148.0
195.76019287109375	180.0
195.91412353515625	120.0
196.10946655273438	172.0
196.7025604248047	168.0
197.10693359375	172.0
197.1650390625	144.0
197.48211669921875	160.0
197.57879638671875	192.0
198.27444458007812	180.0
198.3671112060547	128.0
198.48785400390625	152.0
198.7230987548828	204.0
199.06773376464844	204.0
199.5150909423828	204.0
199.58819580078125	140.0
199.78224182128906	200.0
199.8694610595703	236.0
200.11715698242188	144.0
200.18267822265625	148.0
200.212890625	340.0
200.47488403320312	144.0
200.49461364746094	160.0
200.60171508789062	168.0
201.03482055664062	9832.0
201.10385131835938	184.0
201.16871643066406	184.0
201.29576110839844	176.0
201.4143829345703	168.0
201.4903106689453	144.0
201.9344482421875	152.0
202.00233459472656	156.0
202.04209899902344	20972.0
202.19473266601562	140.0
202.2495574951172	108.0
202.33059692382812	148.0
202.3843994140625	156.0
202.5741424560547	140.0
202.63182067871094	112.0
202.81500244140625	148.0
202.91758728027344	128.0
202.98529052734375	176.0
203.0387420654297	2040.0
203.10360717773438	168.0
203.17796325683594	144.0
203.21347045898438	140.0
203.46275329589844	256.0
203.76564025878906	192.0
203.88497924804688	196.0
204.0394287109375	4692.0
204.5673828125	100.0
204.752685546875	244.0
205.0408477783203	248.0
206.0403289794922	216.0
206.9117889404297	120.0
207.17259216308594	152.0
207.55316162109375	188.0
207.71949768066406	152.0
207.98858642578125	196.0
208.30508422851562	176.0
208.57806396484375	144.0
208.89149475097656	200.0
209.92039489746094	116.0
210.2774200439453	192.0
210.3091583251953	212.0
210.51991271972656	144.0
210.5921173095703	148.0
210.7972412109375	156.0
211.43008422851562	152.0
212.79000854492188	152.0
213.02523803710938	172.0
214.04237365722656	384.0
214.38107299804688	200.0
214.5559539794922	144.0
215.04867553710938	272.0
215.9447021484375	208.0
216.03192138671875	164.0
216.6630401611328	200.0
217.03726196289062	200.0
218.48614501953125	148.0
218.87759399414062	188.0
219.0601806640625	192.0
219.199462890625	160.0
219.93594360351562	152.0
221.94467163085938	148.0
222.9390869140625	204.0
223.2393341064453	148.0
223.75234985351562	172.0
223.93275451660156	252.0
225.1913604736328	168.0
225.70835876464844	196.0
226.51641845703125	140.0
226.94796752929688	160.0
227.4069366455078	172.0
227.60206604003906	144.0
227.79307556152344	180.0
228.05751037597656	1248.0
228.30824279785156	180.0
228.34814453125	164.0
228.55967712402344	116.0
228.68128967285156	204.0
228.74429321289062	112.0
228.93345642089844	148.0
229.01939392089844	136.0
229.06423950195312	592.0
229.19775390625	104.0
229.2354278564453	160.0
229.3179473876953	208.0
229.36056518554688	160.0
229.39990234375	112.0
229.43679809570312	172.0
229.56329345703125	172.0
229.60780334472656	236.0
229.7035675048828	160.0
229.73291015625	248.0
229.7945098876953	420.0
229.817626953125	196.0
229.85125732421875	188.0
229.9213104248047	280.0
229.9437713623047	180.0
229.97943115234375	412.0
230.0250244140625	684.0
230.07510375976562	358240.0
230.1700897216797	188.0
230.2091827392578	188.0
230.2451629638672	208.0
230.26544189453125	244.0
230.3026123046875	248.0
230.33319091796875	224.0
230.3623809814453	276.0
230.40713500976562	204.0
230.46974182128906	192.0
230.49868774414062	140.0
230.53262329101562	188.0
230.57095336914062	3784.0
230.60691833496094	168.0
230.6321563720703	268.0
230.68470764160156	168.0
230.76870727539062	184.0
230.8244171142578	100.0
230.8578338623047	208.0
230.88409423828125	460.0
230.9276123046875	112.0
230.993408203125	132.0
231.07711791992188	66120.0
231.2488555908203	248.0
231.3237762451172	152.0
231.3837127685547	364.0
231.45091247558594	152.0
231.55245971679688	152.0
231.64141845703125	160.0
231.69627380371094	252.0
231.75758361816406	360.0
231.8158721923828	212.0
231.86328125	160.0
231.89334106445312	336.0
231.94876098632812	212.0
232.03549194335938	488.0
232.07130432128906	127772.0
232.1800994873047	252.0
232.21937561035156	104.0
232.2722625732422	112.0
232.31387329101562	276.0
232.3754119873047	136.0
232.41246032714844	132.0
232.4440460205078	184.0
232.52674865722656	368.0
232.57078552246094	272.0
232.5953369140625	312.0
232.6451873779297	272.0
232.67491149902344	152.0
232.71099853515625	108.0
232.7478790283203	276.0
232.7841796875	260.0
232.80758666992188	372.0
232.8458251953125	316.0
232.89178466796875	136.0
232.92776489257812	148.0
233.0218505859375	124.0
233.07373046875	8172.0
233.19354248046875	196.0
233.2447052001953	116.0
233.35061645507812	128.0
233.38629150390625	108.0
233.43597412109375	152.0
233.66363525390625	100.0
233.73550415039062	176.0
233.76670837402344	168.0
233.86569213867188	148.0
233.97853088378906	240.0
234.09629821777344	108.0
234.17860412597656	144.0
234.2676544189453	108.0
234.5596160888672	132.0
234.6232147216797	120.0
234.67105102539062	128.0
234.74208068847656	216.0
235.01492309570312	152.0
235.75424194335938	168.0
237.12185668945312	168.0
239.47914123535156	192.0
246.31399536132812	148.0
252.9655303955078	176.0
257.4454040527344	148.0
261.6103820800781	172.0
264.9981689453125	140.0
268.5480041503906	140.0
270.22705078125	188.0
272.653564453125	184.0
273.0908203125	148.0
273.1667785644531	356.0
273.72406005859375	184.0
274.1805725097656	188.0
274.2083740234375	284.0
274.66595458984375	128.0
274.8227233886719	180.0
275.0635070800781	136.0
275.1321716308594	47776.0
275.4290771484375	196.0
275.4971008300781	200.0
275.60162353515625	112.0
275.76776123046875	144.0
276.13458251953125	5236.0
276.19573974609375	124.0
276.2557067871094	160.0
276.6512145996094	140.0
276.7935791015625	168.0
277.1280212402344	13932.0
277.56976318359375	116.0
277.7248229980469	140.0
278.1304016113281	1492.0
279.05487060546875	116.0
279.5088195800781	160.0
283.91162109375	156.0
287.3121643066406	160.0
317.74530029296875	144.0
343.1091003417969	140.0
380.1969909667969	172.0
428.1717529296875	140.0
515.5704345703125	148.0
882.5997924804688	180.0
976.3917846679688	148.0
1092.5699462890625	164.0
1291.601806640625	164.0
1371.223388671875	148.0
1466.6258544921875	140.0
1493.762939453125	220.0
1518.603759765625	236.0
1561.734375	152.0
1569.4676513671875	148.0
1571.8182373046875	164.0
1571.897216796875	196.0
1594.78466796875	184.0
1608.6044921875	236.0
1616.412841796875	232.0
1678.826416015625	144.0
1702.8463134765625	172.0
1709.83447265625	220.0
1711.052734375	172.0
1713.366943359375	188.0
1723.416015625	172.0
1746.1046142578125	184.0
1759.4783935546875	196.0
1771.369873046875	156.0
1772.484130859375	184.0
1797.5001220703125	276.0
1801.958251953125	180.0
1812.068603515625	176.0
1814.746826171875	192.0
1825.103271484375	152.0
1834.8541259765625	180.0
1839.46923828125	168.0
1844.611572265625	168.0
1846.0992431640625	148.0
1849.4615478515625	156.0
1852.256103515625	184.0
1875.3319091796875	220.0
1882.9329833984375	180.0
1883.0970458984375	188.0
1898.53662109375	204.0
1902.7275390625	160.0
1932.3946533203125	176.0
1933.5760498046875	176.0
1967.2318115234375	152.0
1979.9462890625	172.0
1982.5242919921875	152.0
1990.8720703125	144.0
1991.920166015625	204.0
1992.2666015625	168.0
1997.4490966796875	200.0
1997.8671875	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079062
PEPMASS=138.071274
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=18.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_C2_D11_BD1_01_15723.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=DEXCHLORPHENIRAMINE MALEATE [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CC[C@@H](c1ccc(Cl)cc1)c2ccccn2
INCHI=InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1
INCHIAUX=SOYKEARSMXGVTM-HNNXBMFYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079062
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079062
SCANS=1063
45.48802947998047	156.0
49.03535842895508	176.0
49.28654861450195	152.0
50.60591506958008	140.0
52.598873138427734	164.0
54.07858657836914	248.0
58.87736892700195	236.0
60.49647903442383	220.0
62.921321868896484	204.0
64.03608703613281	160.0
64.17153930664062	172.0
64.93109893798828	152.0
66.3338851928711	164.0
66.5334243774414	156.0
66.6243667602539	212.0
66.63898468017578	140.0
67.40806579589844	168.0
67.841796875	192.0
68.53205871582031	156.0
68.85208129882812	172.0
68.94293975830078	152.0
70.23798370361328	164.0
70.6472396850586	152.0
71.47101593017578	176.0
72.03411102294922	204.0
72.71308135986328	208.0
73.63756561279297	208.0
74.48541259765625	144.0
74.98265838623047	144.0
75.28111267089844	144.0
76.29994201660156	160.0
76.80668640136719	164.0
76.88694763183594	160.0
77.18391418457031	132.0
79.58914947509766	184.0
80.12450408935547	180.0
81.64058685302734	204.0
82.40486145019531	168.0
83.16725158691406	144.0
83.82560729980469	168.0
84.2379379272461	160.0
84.54666137695312	216.0
85.75724792480469	196.0
85.91767120361328	156.0
86.553466796875	148.0
87.45943450927734	172.0
89.04119873046875	280.0
90.04691314697266	148.0
91.0563735961914	152.0
91.27491760253906	144.0
91.320556640625	164.0
92.52655029296875	160.0
92.74492645263672	168.0
93.05377960205078	176.0
94.74710845947266	144.0
95.60533142089844	148.0
96.4087905883789	140.0
96.54488372802734	156.0
96.86466217041016	144.0
97.55387115478516	128.0
98.86507415771484	164.0
99.2850570678711	140.0
100.29505920410156	180.0
101.26009368896484	148.0
101.48052215576172	156.0
102.425048828125	168.0
102.56609344482422	180.0
103.16966247558594	240.0
105.3522720336914	204.0
105.55052185058594	160.0
105.99060821533203	168.0
106.06350708007812	196.0
107.07731628417969	156.0
108.08885955810547	196.0
108.58189392089844	188.0
108.74787139892578	196.0
109.1883316040039	152.0
109.98422241210938	220.0
111.0701904296875	176.0
111.28634643554688	152.0
111.55491638183594	244.0
111.89185333251953	160.0
112.00862121582031	152.0
112.2795639038086	160.0
113.21154022216797	172.0
114.00444793701172	180.0
115.05716705322266	336.0
115.9491195678711	180.0
116.06344604492188	180.0
116.53923034667969	208.0
117.05762481689453	512.0
118.00917053222656	160.0
118.06511688232422	3088.0
118.09999084472656	156.0
118.90162658691406	148.0
119.0253677368164	176.0
119.07304382324219	1636.0
120.07792663574219	200.0
120.33612823486328	204.0
120.43439483642578	156.0
120.45405578613281	152.0
120.88475799560547	192.0
120.95916748046875	196.0
121.19788360595703	140.0
123.12047576904297	140.0
123.62451171875	200.0
123.73960876464844	140.0
123.80381774902344	188.0
124.4735107421875	188.0
125.01502990722656	1848.0
126.0247573852539	208.0
126.30994415283203	220.0
126.62105560302734	144.0
126.64569091796875	140.0
127.01202392578125	808.0
128.01341247558594	140.0
128.050048828125	284.0
128.46868896484375	180.0
129.1486053466797	220.0
129.46092224121094	144.0
130.05038452148438	184.0
130.5865936279297	180.0
131.87249755859375	140.0
131.89077758789062	152.0
133.24510192871094	192.0
134.20254516601562	212.0
135.15878295898438	164.0
135.51535034179688	176.0
136.07540893554688	412.0
136.1114501953125	152.0
137.11407470703125	152.0
137.7346954345703	196.0
137.81179809570312	152.0
138.0700225830078	30060.0
138.57135009765625	4496.0
138.73764038085938	160.0
138.7640380859375	112.0
138.8761749267578	136.0
139.02195739746094	216.0
139.06716918945312	12456.0
139.56854248046875	3092.0
139.98855590820312	184.0
140.05784606933594	740.0
140.30429077148438	140.0
140.94679260253906	124.0
140.98170471191406	208.0
141.0628204345703	252.0
141.66786193847656	144.0
142.94044494628906	208.0
143.08200073242188	144.0
143.416748046875	144.0
146.2141876220703	148.0
147.22189331054688	176.0
147.95693969726562	148.0
148.65013122558594	212.0
148.83335876464844	192.0
149.06051635742188	188.0
150.0194549560547	164.0
151.69151306152344	144.0
151.76995849609375	140.0
152.34671020507812	172.0
153.06512451171875	320.0
153.11412048339844	300.0
153.8933563232422	188.0
154.06629943847656	140.0
154.15765380859375	160.0
157.0150604248047	168.0
158.5851593017578	140.0
159.58677673339844	200.0
160.63694763183594	276.0
160.7303009033203	148.0
160.98831176757812	228.0
162.2326202392578	140.0
163.82852172851562	220.0
164.04966735839844	164.0
165.0580291748047	176.0
165.40664672851562	188.0
165.7318878173828	144.0
166.00103759765625	184.0
166.06533813476562	3276.0
166.55027770996094	216.0
167.0293426513672	204.0
167.07369995117188	38244.0
167.15501403808594	156.0
167.23855590820312	120.0
167.40768432617188	152.0
167.646240234375	220.0
167.8277587890625	144.0
168.08053588867188	15960.0
168.13485717773438	156.0
168.334228515625	112.0
168.45285034179688	96.0
169.08447265625	1628.0
169.1328582763672	112.0
170.03916931152344	112.0
170.09458923339844	208.0
173.43431091308594	172.0
175.02896118164062	148.0
176.0362548828125	196.0
177.5658721923828	152.0
178.61767578125	208.0
179.57655334472656	200.0
180.0786895751953	376.0
180.186767578125	120.0
180.9179229736328	152.0
181.0894317626953	172.0
182.0862579345703	172.0
183.89895629882812	156.0
188.02793884277344	124.0
188.8166046142578	196.0
189.71470642089844	148.0
190.76060485839844	204.0
192.083251953125	148.0
193.55262756347656	192.0
194.09408569335938	176.0
195.26483154296875	152.0
196.08056640625	196.0
198.871826171875	140.0
199.06553649902344	184.0
199.08518981933594	192.0
200.212890625	152.0
201.03475952148438	340.0
201.9118194580078	152.0
202.04220581054688	23168.0
202.08543395996094	320.0
202.13247680664062	212.0
202.24728393554688	176.0
202.30239868164062	108.0
202.7709197998047	160.0
202.85498046875	120.0
202.92323303222656	176.0
202.9761505126953	156.0
202.99847412109375	156.0
203.05059814453125	49232.0
203.1299285888672	124.0
203.22154235839844	256.0
203.2794952392578	148.0
203.31430053710938	104.0
203.5165252685547	160.0
203.61509704589844	140.0
204.0453338623047	5968.0
204.1948699951172	188.0
204.45152282714844	220.0
204.65809631347656	148.0
205.0046844482422	140.0
205.0474853515625	16864.0
205.17153930664062	148.0
205.2943115234375	168.0
205.42752075195312	288.0
205.6100616455078	124.0
205.6507568359375	144.0
206.05043029785156	1788.0
206.4183807373047	136.0
207.06314086914062	140.0
207.5550537109375	124.0
216.058837890625	120.0
229.21131896972656	156.0
230.0731658935547	148.0
232.07846069335938	100.0
233.0692901611328	152.0
556.4909057617188	156.0
604.3635864257812	164.0
739.1759643554688	152.0
1149.001953125	168.0
1306.0262451171875	140.0
1409.6658935546875	140.0
1465.28466796875	224.0
1465.4827880859375	144.0
1495.8868408203125	240.0
1539.860107421875	180.0
1540.999755859375	180.0
1643.8223876953125	160.0
1654.3861083984375	184.0
1660.090087890625	148.0
1678.116943359375	176.0
1731.5972900390625	192.0
1764.3154296875	152.0
1779.1099853515625	144.0
1782.982177734375	168.0
1788.5247802734375	232.0
1790.4527587890625	168.0
1796.141845703125	208.0
1834.5216064453125	152.0
1842.07373046875	200.0
1867.33349609375	204.0
1870.4739990234375	164.0
1883.718994140625	292.0
1929.28125	232.0
1948.7550048828125	208.0
1955.2005615234375	184.0
1962.0533447265625	144.0
1967.2581787109375	240.0
1967.655517578125	212.0
1987.8538818359375	148.0
1991.431640625	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079063
PEPMASS=409.183014
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_C2_D11_BD1_01_15723.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Beclomethasone [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC1CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(Cl)C(O)CC2(C)C1(O)C(=O)CO
INCHI=InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12?,15?,16?,17?,19?,20?,21-,22?/m0/s1
INCHIAUX=NBMKJKDGKREAPL-WOOYFSPWSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079063
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079063
SCANS=1226
46.94387435913086	160.0
48.01356506347656	156.0
49.57200622558594	192.0
51.61616897583008	196.0
52.23430633544922	160.0
53.0762939453125	148.0
53.7833366394043	204.0
55.0385627746582	160.0
55.102073669433594	168.0
55.11980438232422	164.0
56.400901794433594	152.0
57.45357131958008	184.0
60.00828552246094	164.0
60.17028045654297	196.0
62.758811950683594	220.0
64.91826629638672	140.0
65.06588745117188	148.0
65.08193969726562	140.0
67.22190856933594	140.0
68.48263549804688	156.0
68.84877014160156	156.0
69.10333251953125	172.0
69.72848510742188	144.0
71.09292602539062	184.0
71.51139831542969	168.0
73.07502746582031	144.0
73.61194610595703	160.0
74.88961791992188	156.0
75.83992004394531	176.0
76.33296966552734	204.0
78.17501068115234	192.0
78.56263732910156	172.0
79.78813934326172	176.0
82.47172546386719	160.0
82.56211853027344	208.0
83.35066986083984	220.0
86.80547332763672	172.0
87.37569427490234	232.0
91.04877471923828	140.0
91.6251220703125	192.0
93.07591247558594	136.0
93.40737915039062	184.0
93.91010284423828	252.0
95.08380126953125	136.0
97.93714141845703	200.0
98.5269546508789	240.0
99.11853790283203	148.0
99.39812469482422	228.0
101.17198944091797	200.0
101.26209259033203	144.0
101.51461029052734	140.0
101.7493667602539	188.0
104.00017547607422	164.0
104.18902587890625	228.0
104.61811828613281	172.0
105.07039642333984	424.0
105.08686065673828	332.0
106.9476089477539	168.0
107.04838562011719	260.0
107.08512115478516	636.0
107.12674713134766	196.0
108.05118560791016	156.0
108.08885955810547	172.0
109.0674057006836	176.0
109.10143280029297	176.0
109.41513061523438	208.0
111.08160400390625	380.0
111.37244415283203	196.0
111.64987182617188	156.0
112.72499084472656	140.0
114.660400390625	144.0
115.0457763671875	232.0
115.07328796386719	356.0
115.72418975830078	180.0
116.06058502197266	256.0
117.0597152709961	184.0
117.07279205322266	536.0
119.08749389648438	804.0
119.7625961303711	180.0
120.05682373046875	156.0
120.08734893798828	284.0
120.36669158935547	204.0
120.44749450683594	212.0
121.01827239990234	152.0
121.06561279296875	3056.0
121.10025024414062	328.0
121.70235443115234	216.0
122.06936645507812	588.0
122.10299682617188	256.0
122.26509857177734	168.0
123.08000946044922	812.0
123.10625457763672	256.0
124.0807876586914	184.0
124.92913055419922	148.0
125.07068634033203	280.0
125.0965576171875	360.0
126.04136657714844	152.0
126.06702423095703	228.0
126.10423278808594	148.0
126.35691833496094	160.0
126.8111572265625	136.0
127.07427978515625	168.0
127.2264633178711	208.0
127.6041488647461	176.0
128.06370544433594	368.0
129.02874755859375	140.0
129.06781005859375	444.0
129.09205627441406	176.0
129.61801147460938	104.0
130.07521057128906	140.0
131.04861450195312	124.0
131.09169006347656	408.0
131.8542022705078	180.0
132.05767822265625	280.0
132.0908203125	312.0
132.39869689941406	148.0
133.06216430664062	368.0
133.1007537841797	328.0
133.7809295654297	212.0
134.07115173339844	140.0
134.97604370117188	140.0
135.08090209960938	2856.0
135.43890380859375	140.0
135.45974731445312	160.0
136.084716796875	140.0
137.0958709716797	908.0
138.09588623046875	144.0
139.0729217529297	328.0
140.11573791503906	156.0
140.2665557861328	164.0
140.3042755126953	148.0
141.046142578125	184.0
141.07064819335938	308.0
141.0916748046875	272.0
142.08404541015625	164.0
143.08445739746094	1044.0
143.1332550048828	160.0
143.31903076171875	168.0
143.99412536621094	260.0
144.06153869628906	144.0
144.09445190429688	176.0
145.03549194335938	148.0
145.06434631347656	724.0
145.10467529296875	592.0
145.12571716308594	160.0
145.9062957763672	168.0
145.99044799804688	168.0
146.07180786132812	304.0
146.1059112548828	176.0
146.1323699951172	164.0
146.72413635253906	164.0
146.77064514160156	208.0
147.0408172607422	140.0
147.0810089111328	7504.0
147.12205505371094	520.0
148.08526611328125	656.0
149.09521484375	396.0
149.1344451904297	188.0
149.2452392578125	144.0
150.1011962890625	140.0
150.17306518554688	176.0
150.795654296875	148.0
151.07550048828125	1068.0
151.1119384765625	164.0
152.0606231689453	136.0
152.07736206054688	324.0
152.81626892089844	152.0
153.06765747070312	308.0
153.0908203125	512.0
154.07464599609375	172.0
154.09339904785156	184.0
154.39495849609375	212.0
155.0255584716797	184.0
155.05577087402344	96.0
155.0853729248047	340.0
155.1377716064453	156.0
156.06629943847656	180.0
156.09060668945312	160.0
156.11602783203125	140.0
156.35983276367188	180.0
157.04098510742188	312.0
157.06069946289062	256.0
157.1012725830078	624.0
157.22210693359375	220.0
158.04673767089844	156.0
158.07101440429688	880.0
158.11195373535156	184.0
158.42979431152344	180.0
159.0820770263672	1376.0
159.1190643310547	208.0
160.08438110351562	360.0
160.12225341796875	140.0
160.47689819335938	156.0
161.0623016357422	248.0
161.09628295898438	3420.0
161.12535095214844	204.0
161.9285430908203	156.0
162.09756469726562	284.0
162.13882446289062	176.0
162.47352600097656	168.0
163.03721618652344	300.0
163.05967712402344	200.0
163.07693481445312	268.0
163.11221313476562	432.0
163.68775939941406	136.0
164.08590698242188	164.0
165.0680389404297	132.0
165.08851623535156	480.0
165.1236572265625	220.0
165.50616455078125	128.0
165.62171936035156	164.0
166.04356384277344	252.0
167.06178283691406	160.0
167.09017944335938	672.0
167.1057891845703	352.0
168.05752563476562	136.0
168.4977264404297	144.0
169.04295349121094	152.0
169.06741333007812	916.0
169.0857391357422	1540.0
170.0680694580078	304.0
170.09104919433594	280.0
170.11000061035156	192.0
170.97921752929688	148.0
171.0808868408203	5328.0
171.11676025390625	580.0
171.1753387451172	168.0
171.38284301757812	172.0
172.0867156982422	680.0
173.0963592529297	3340.0
173.13270568847656	392.0
173.26397705078125	164.0
174.10044860839844	484.0
175.07334899902344	144.0
175.1110076904297	256.0
175.19224548339844	152.0
176.08253479003906	128.0
176.115478515625	300.0
176.52511596679688	140.0
177.09141540527344	776.0
177.25570678710938	248.0
177.59239196777344	152.0
178.0830841064453	320.0
178.7639923095703	152.0
179.0867156982422	1220.0
179.8780517578125	200.0
180.0937042236328	152.0
181.044189453125	472.0
181.0677032470703	344.0
181.10134887695312	308.0
182.0440216064453	168.0
182.07211303710938	320.0
182.0977325439453	180.0
183.0542449951172	184.0
183.07952880859375	1108.0
183.1192169189453	564.0
183.30833435058594	176.0
184.0813751220703	332.0
184.5770263671875	152.0
184.79881286621094	168.0
185.09559631347656	2396.0
185.2238311767578	140.0
185.98304748535156	164.0
186.09901428222656	524.0
186.22100830078125	144.0
186.5154266357422	140.0
187.0764617919922	644.0
187.11070251464844	1372.0
187.14987182617188	188.0
187.85787963867188	188.0
188.114013671875	156.0
189.04640197753906	164.0
189.07217407226562	156.0
189.09259033203125	352.0
189.12661743164062	372.0
189.4105224609375	140.0
189.76953125	144.0
190.077392578125	148.0
190.1332244873047	132.0
191.06175231933594	144.0
191.10682678222656	168.0
192.05752563476562	140.0
192.09555053710938	320.0
193.03517150878906	160.0
193.09910583496094	652.0
194.07200622558594	384.0
194.10533142089844	612.0
195.0614776611328	584.0
195.08050537109375	596.0
195.1101531982422	516.0
195.9718780517578	144.0
196.08749389648438	1036.0
196.1331024169922	136.0
196.48487854003906	140.0
197.0962677001953	2024.0
197.12643432617188	204.0
197.2472381591797	164.0
198.1033935546875	568.0
198.80165100097656	164.0
199.07395935058594	128.0
199.1116485595703	764.0
200.08111572265625	140.0
200.11917114257812	456.0
201.09063720703125	284.0
201.12826538085938	700.0
201.7873992919922	168.0
202.2739715576172	164.0
202.66763305664062	216.0
203.0559844970703	144.0
203.1020965576172	408.0
204.0911407470703	192.0
205.03158569335938	160.0
205.09902954101562	180.0
205.1344757080078	100.0
205.31410217285156	160.0
206.0648193359375	256.0
206.1081085205078	620.0
207.05593872070312	468.0
207.0814666748047	360.0
207.12112426757812	152.0
207.40121459960938	144.0
208.06204223632812	256.0
208.0872344970703	480.0
208.12332153320312	336.0
209.05587768554688	204.0
209.09439086914062	2488.0
209.13072204589844	560.0
210.07542419433594	156.0
210.10243225097656	1144.0
211.07798767089844	340.0
211.11131286621094	3436.0
211.14291381835938	304.0
211.9894561767578	184.0
212.07928466796875	152.0
212.11663818359375	956.0
212.14886474609375	248.0
212.8074188232422	176.0
213.09471130371094	564.0
213.12646484375	756.0
214.0954132080078	148.0
214.12728881835938	360.0
214.9788818359375	168.0
215.10850524902344	904.0
215.2917022705078	152.0
216.03070068359375	148.0
216.094482421875	344.0
217.10150146484375	268.0
217.1277313232422	148.0
218.00686645507812	144.0
218.05624389648438	120.0
218.10385131835938	152.0
218.59205627441406	160.0
219.03366088867188	148.0
219.08241271972656	184.0
219.1172332763672	652.0
219.85330200195312	140.0
220.0067901611328	164.0
220.0826416015625	224.0
220.11767578125	156.0
220.3109588623047	208.0
221.09619140625	1696.0
221.13246154785156	652.0
221.50308227539062	176.0
221.56092834472656	144.0
222.1021728515625	1132.0
222.31546020507812	172.0
223.07241821289062	176.0
223.11241149902344	2392.0
223.15452575683594	204.0
224.08168029785156	192.0
224.1179962158203	2156.0
225.04502868652344	184.0
225.0947265625	276.0
225.12557983398438	1072.0
225.5409393310547	140.0
226.09423828125	136.0
226.12979125976562	808.0
226.21995544433594	144.0
227.11061096191406	252.0
227.14198303222656	564.0
227.65940856933594	208.0
228.10377502441406	148.0
228.14585876464844	280.0
229.09828186035156	264.0
229.12112426757812	264.0
229.1510467529297	348.0
230.10980224609375	604.0
231.07583618164062	288.0
231.11923217773438	728.0
232.08584594726562	428.0
232.12539672851562	152.0
232.7078399658203	176.0
233.07269287109375	764.0
233.09490966796875	592.0
233.1322021484375	272.0
233.26681518554688	140.0
234.0746612548828	168.0
234.1028594970703	1020.0
234.36546325683594	152.0
235.06988525390625	260.0
235.11276245117188	1464.0
235.9586639404297	176.0
236.0647735595703	188.0
236.11654663085938	1012.0
236.1500701904297	308.0
237.12808227539062	4436.0
238.09469604492188	116.0
238.13046264648438	516.0
238.8750762939453	160.0
238.95506286621094	144.0
239.05967712402344	248.0
239.10662841796875	188.0
239.14288330078125	5680.0
240.08551025390625	192.0
240.11326599121094	216.0
240.1467742919922	1112.0
241.12127685546875	416.0
241.1465301513672	196.0
241.85707092285156	148.0
242.0998992919922	144.0
242.16270446777344	104.0
243.07260131835938	148.0
243.11302185058594	296.0
244.08572387695312	236.0
244.12669372558594	456.0
245.06687927246094	176.0
245.0988006591797	320.0
245.13356018066406	344.0
246.0806427001953	124.0
246.1077423095703	420.0
246.13189697265625	344.0
246.16847229003906	120.0
246.84918212890625	160.0
247.07601928710938	144.0
247.111083984375	816.0
247.15155029296875	544.0
248.08502197265625	100.0
248.121337890625	1708.0
248.32957458496094	196.0
249.09024047851562	140.0
249.12811279296875	2304.0
249.94833374023438	148.0
250.13021850585938	1096.0
250.1717987060547	176.0
250.46148681640625	144.0
251.01617431640625	148.0
251.1109619140625	320.0
251.1407012939453	1080.0
251.1767120361328	248.0
251.647216796875	164.0
252.1083984375	320.0
252.14251708984375	368.0
252.8135986328125	172.0
253.1206512451172	296.0
253.15794372558594	392.0
253.25050354003906	160.0
253.72265625	172.0
254.1666717529297	204.0
254.4047088623047	140.0
255.1354217529297	548.0
256.1368103027344	160.0
257.1021728515625	400.0
258.09088134765625	168.0
258.1490783691406	360.0
259.1117858886719	356.0
259.1490173339844	280.0
259.9808044433594	140.0
260.1192321777344	556.0
260.16375732421875	220.0
261.08868408203125	144.0
261.12738037109375	1480.0
261.1600646972656	468.0
261.28533935546875	188.0
262.0152893066406	180.0
262.1327819824219	1752.0
263.109375	164.0
263.1438293457031	4344.0
263.2095031738281	216.0
263.668212890625	160.0
264.1488342285156	1540.0
265.1282958984375	224.0
265.1581726074219	692.0
266.03271484375	152.0
266.121337890625	148.0
266.1678161621094	196.0
267.13848876953125	1416.0
267.175048828125	416.0
267.6745910644531	160.0
268.139892578125	284.0
268.1763000488281	148.0
269.0699768066406	124.0
269.11798095703125	256.0
269.15362548828125	120.0
269.1986083984375	220.0
271.0945129394531	116.0
271.11395263671875	432.0
271.1482849121094	132.0
271.61932373046875	160.0
272.1195983886719	312.0
273.1183776855469	140.0
273.1609802246094	108.0
273.82806396484375	148.0
274.0882873535156	164.0
274.1314392089844	444.0
274.1678466796875	144.0
274.72528076171875	240.0
275.09869384765625	480.0
275.1412048339844	1728.0
275.4937744140625	192.0
276.1497802734375	784.0
277.0932312011719	164.0
277.1216125488281	508.0
277.158935546875	3516.0
277.2088317871094	148.0
277.7281494140625	204.0
278.1349182128906	180.0
278.1655578613281	1672.0
278.9467468261719	160.0
279.0617980957031	164.0
279.17462158203125	9672.0
279.9872131347656	156.0
280.17877197265625	2284.0
281.1542053222656	548.0
281.1844482421875	296.0
282.0724182128906	152.0
282.160400390625	244.0
282.19049072265625	440.0
283.7942199707031	172.0
285.1270751953125	216.0
286.1353454589844	300.0
287.0760498046875	148.0
287.13861083984375	520.0
288.14501953125	156.0
289.1231384277344	368.0
289.1585998535156	1520.0
290.078369140625	160.0
290.13861083984375	196.0
290.1625061035156	484.0
291.1373291015625	360.0
291.1744384765625	2748.0
292.1393127441406	388.0
292.17657470703125	1428.0
293.1065368652344	176.0
293.1554870605469	588.0
294.1609191894531	452.0
294.822998046875	156.0
295.0858459472656	152.0
295.1311950683594	360.0
295.1690673828125	1024.0
296.1380920410156	160.0
296.17559814453125	260.0
297.0176086425781	260.0
297.1128234863281	148.0
297.18548583984375	2784.0
298.18316650390625	676.0
299.12200927734375	176.0
300.125	100.0
301.1085510253906	152.0
301.1602783203125	2236.0
302.16387939453125	612.0
304.1513366699219	176.0
306.0306396484375	212.0
306.1629638671875	596.0
306.22564697265625	220.0
307.17047119140625	2536.0
307.21173095703125	124.0
308.17352294921875	664.0
309.1162414550781	164.0
309.185302734375	2208.0
310.18804931640625	380.0
311.1167297363281	184.0
311.1653137207031	796.0
312.1709289550781	388.0
313.13427734375	684.0
313.1764221191406	112.0
314.14324951171875	548.0
315.1462707519531	1012.0
316.1506042480469	176.0
317.1496276855469	120.0
318.83282470703125	332.0
319.17022705078125	4964.0
320.1729736328125	776.0
321.1820068359375	176.0
322.1654052734375	96.0
324.131103515625	152.0
325.1387634277344	192.0
325.1759948730469	1172.0
326.18170166015625	560.0
327.15667724609375	244.0
327.1958312988281	980.0
328.1510009765625	160.0
328.198486328125	148.0
328.5101623535156	176.0
329.1311340332031	252.0
330.508056640625	148.0
331.1474304199219	1384.0
332.1165466308594	156.0
332.1606750488281	280.0
333.14373779296875	592.0
334.14764404296875	124.0
337.104248046875	160.0
337.1307067871094	176.0
337.1799621582031	7892.0
338.12811279296875	152.0
338.1397705078125	148.0
338.1830749511719	2636.0
339.1302490234375	128.0
339.1896667480469	316.0
340.1844787597656	180.0
342.8547668457031	204.0
343.1481628417969	464.0
343.1864929199219	144.0
343.241455078125	212.0
343.503662109375	204.0
344.1421203613281	176.0
345.16064453125	252.0
347.1520080566406	112.0
347.2231750488281	136.0
348.2229309082031	288.0
351.1706237792969	156.0
354.75653076171875	144.0
355.19085693359375	6412.0
355.4991455078125	196.0
356.05474853515625	176.0
356.1482849121094	312.0
356.19512939453125	2952.0
357.135986328125	140.0
357.1922607421875	232.0
357.295166015625	144.0
357.7853088378906	124.0
359.2427978515625	180.0
361.1604919433594	584.0
361.19952392578125	188.0
362.1561279296875	116.0
363.153076171875	464.0
364.1597595214844	168.0
369.2039794921875	3076.0
370.2096252441406	964.0
370.67572021484375	176.0
371.2040710449219	172.0
371.7652587890625	124.0
373.0975646972656	200.0
373.1564636230469	1644.0
373.2020263671875	4900.0
374.16009521484375	252.0
374.2064208984375	876.0
375.1604919433594	452.0
375.210205078125	168.0
376.2064208984375	284.0
380.1659240722656	164.0
381.890869140625	140.0
384.5363464355469	204.0
387.21075439453125	812.0
388.217529296875	208.0
389.0632629394531	96.0
390.48406982421875	196.0
390.790771484375	140.0
391.0177307128906	120.0
391.0900573730469	176.0
391.16802978515625	40400.0
391.2676086425781	200.0
391.34942626953125	184.0
391.477294921875	188.0
391.5032958984375	96.0
391.60443115234375	112.0
391.85595703125	132.0
391.92962646484375	128.0
392.0929870605469	232.0
392.17083740234375	8240.0
392.30780029296875	136.0
392.35467529296875	160.0
392.4897766113281	116.0
393.05517578125	148.0
393.0916442871094	160.0
393.1649169921875	11648.0
393.4587097167969	140.0
393.68084716796875	108.0
393.9593200683594	100.0
394.1668701171875	2252.0
394.3887023925781	140.0
394.44219970703125	100.0
395.1741943359375	264.0
395.8575744628906	136.0
409.1754150390625	2408.0
410.1808776855469	536.0
411.1746826171875	1408.0
412.17681884765625	224.0
421.19915771484375	204.0
448.17218017578125	156.0
945.3541259765625	188.0
1114.8326416015625	148.0
1148.0440673828125	144.0
1230.372802734375	176.0
1325.1201171875	184.0
1334.0101318359375	140.0
1391.3060302734375	152.0
1400.400146484375	176.0
1418.7371826171875	140.0
1426.9654541015625	236.0
1475.885986328125	148.0
1476.55126953125	172.0
1552.03564453125	152.0
1573.017822265625	168.0
1640.4268798828125	152.0
1674.6861572265625	188.0
1678.69580078125	152.0
1730.2557373046875	192.0
1733.6932373046875	180.0
1736.810546875	148.0
1737.54052734375	164.0
1748.69189453125	188.0
1760.313232421875	268.0
1760.9395751953125	176.0
1761.9168701171875	192.0
1772.2998046875	176.0
1783.6712646484375	164.0
1800.007080078125	176.0
1805.9566650390625	176.0
1823.6092529296875	188.0
1882.138427734375	164.0
1886.9854736328125	188.0
1899.1175537109375	196.0
1926.2576904296875	176.0
1926.869140625	180.0
1944.82958984375	152.0
1958.2642822265625	168.0
1973.19482421875	188.0
1977.5469970703125	168.0
1984.45654296875	172.0
1991.697998046875	172.0
1992.4442138671875	208.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079064
PEPMASS=454.055084
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_C2_D11_BD1_01_15723.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=CEFIXIME TRIHYDRATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Nc1nc(cs1)C(=NOCC(=O)O)C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)C=C
INCHI=InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/t10-,14-/m1/s1
INCHIAUX=OKBVVJOGVLARMR-QMTHXVAHSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079064
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079064
SCANS=1026
45.08750534057617	200.0
45.64383316040039	148.0
47.9101448059082	244.0
48.81535339355469	144.0
48.85986328125	176.0
51.84946060180664	180.0
51.91827392578125	196.0
52.55841064453125	184.0
52.70713806152344	220.0
53.15312194824219	140.0
53.253292083740234	156.0
53.87382125854492	156.0
54.17371368408203	156.0
54.33497619628906	168.0
54.52145767211914	212.0
56.318668365478516	148.0
56.8831787109375	160.0
56.92221450805664	168.0
57.74807357788086	144.0
58.82387161254883	192.0
59.91267395019531	176.0
60.23817443847656	148.0
61.8522834777832	188.0
62.4516716003418	188.0
63.10453414916992	188.0
64.01532745361328	164.0
64.50353240966797	140.0
64.83324432373047	180.0
65.24415588378906	236.0
66.01972198486328	188.0
66.499267578125	156.0
66.66004180908203	156.0
67.96309661865234	172.0
68.91313171386719	200.0
70.06288146972656	224.0
72.03404235839844	148.0
73.76734924316406	164.0
75.40542602539062	140.0
75.76187896728516	172.0
75.82945251464844	212.0
76.39899444580078	192.0
76.80487060546875	148.0
77.92349243164062	204.0
78.18021392822266	204.0
78.68256378173828	152.0
81.1108627319336	184.0
81.74304962158203	172.0
81.79524230957031	192.0
82.31627655029297	140.0
82.71040344238281	152.0
83.38330841064453	148.0
83.8692626953125	156.0
84.30180358886719	160.0
84.65852355957031	192.0
88.1026840209961	172.0
88.56884002685547	240.0
88.73524475097656	164.0
88.80838012695312	184.0
89.13504028320312	164.0
89.70530700683594	156.0
90.03926849365234	188.0
90.36061096191406	176.0
92.04655456542969	180.0
92.11530303955078	140.0
93.08824920654297	156.0
95.02505493164062	212.0
95.19700622558594	164.0
95.7200927734375	140.0
95.9968032836914	176.0
96.0845718383789	180.0
96.37352752685547	176.0
97.01036834716797	148.0
97.99024200439453	148.0
98.99992370605469	532.0
99.0273208618164	160.0
99.98661041259766	156.0
100.82386016845703	160.0
100.99180603027344	168.0
102.00009155273438	248.0
102.31620788574219	212.0
103.00183868408203	160.0
103.13115692138672	164.0
103.7140884399414	172.0
104.03588104248047	340.0
105.36238098144531	140.0
106.0279769897461	120.0
106.15653991699219	152.0
107.04801177978516	132.0
108.04359436035156	256.0
108.40972137451172	176.0
109.01161193847656	360.0
110.03421783447266	188.0
110.06136322021484	180.0
110.74311065673828	140.0
110.76824188232422	164.0
110.998779296875	312.0
111.02754211425781	380.0
111.20856475830078	152.0
113.02037048339844	140.0
114.009521484375	280.0
114.23657989501953	224.0
114.99300384521484	156.0
115.0120620727539	164.0
115.40528869628906	176.0
116.47251892089844	164.0
117.04854583740234	176.0
117.27508544921875	168.0
117.35916137695312	148.0
118.05445861816406	156.0
119.060546875	416.0
119.27291870117188	144.0
120.06356048583984	168.0
121.04443359375	140.0
121.07728576660156	156.0
121.11451721191406	200.0
121.31391906738281	192.0
122.38164520263672	160.0
123.01101684570312	300.0
123.26173400878906	144.0
123.37666320800781	204.0
124.01303100585938	160.0
124.052734375	328.0
124.19725799560547	188.0
124.3777084350586	160.0
125.00418853759766	2552.0
125.24065399169922	176.0
125.75346374511719	140.0
125.82266235351562	152.0
126.01249694824219	11992.0
126.05967712402344	176.0
127.0190658569336	1600.0
127.0555648803711	184.0
127.70721435546875	220.0
127.97801971435547	232.0
128.0119171142578	200.0
128.09661865234375	144.0
129.0154571533203	164.0
129.63296508789062	144.0
130.0184783935547	152.0
130.26370239257812	172.0
132.0484161376953	184.0
132.4145965576172	164.0
133.04837036132812	172.0
134.0498504638672	192.0
135.0555419921875	908.0
136.0225067138672	564.0
136.51565551757812	148.0
136.76458740234375	148.0
137.0230712890625	176.0
137.07199096679688	164.0
137.4567413330078	160.0
138.01072692871094	440.0
138.0360565185547	644.0
138.9952392578125	128.0
139.01861572265625	240.0
139.03529357910156	184.0
139.96389770507812	212.0
139.9890899658203	156.0
140.02508544921875	308.0
140.32772827148438	168.0
140.5848388671875	164.0
140.9939727783203	220.0
141.53982543945312	200.0
142.0074005126953	2656.0
142.60499572753906	160.0
142.9728546142578	596.0
143.00694274902344	352.0
143.28555297851562	224.0
143.7242431640625	144.0
143.97816467285156	252.0
144.02430725097656	128.0
144.28790283203125	144.0
145.02879333496094	160.0
145.2625732421875	216.0
145.99105834960938	336.0
146.06246948242188	152.0
147.02621459960938	168.0
147.0537567138672	744.0
147.07794189453125	140.0
148.0398712158203	156.0
149.04135131835938	164.0
149.07684326171875	144.0
149.29617309570312	200.0
149.35140991210938	180.0
149.44212341308594	160.0
150.0591278076172	168.0
151.06077575683594	256.0
151.5639190673828	188.0
152.01698303222656	6484.0
152.3539276123047	152.0
153.02001953125	392.0
153.05166625976562	380.0
154.00881958007812	516.0
154.02487182617188	588.0
155.0154571533203	1060.0
155.03616333007812	156.0
155.57174682617188	188.0
155.83251953125	152.0
156.0111846923828	152.0
156.26512145996094	164.0
156.96253967285156	188.0
156.98995971679688	212.0
157.0572967529297	160.0
157.9848175048828	304.0
158.88088989257812	156.0
159.67713928222656	172.0
160.09239196777344	160.0
160.30398559570312	160.0
160.34934997558594	164.0
161.0355987548828	216.0
161.59425354003906	160.0
162.04110717773438	144.0
163.0116424560547	144.0
163.03501892089844	160.0
163.04408264160156	120.0
163.62718200683594	152.0
164.017578125	984.0
164.04751586914062	160.0
164.13929748535156	160.0
164.1903076171875	152.0
164.62924194335938	184.0
164.99661254882812	192.0
165.02139282226562	428.0
165.0708770751953	404.0
166.03123474121094	3884.0
166.0778045654297	176.0
166.8533172607422	196.0
166.97096252441406	236.0
167.035400390625	732.0
167.94989013671875	176.0
167.98641967773438	200.0
168.02586364746094	328.0
169.0557403564453	160.0
169.71400451660156	148.0
170.0269775390625	3804.0
170.19070434570312	116.0
170.28390502929688	96.0
170.99327087402344	180.0
171.03018188476562	708.0
171.55990600585938	156.0
171.94332885742188	172.0
172.01817321777344	2324.0
173.01438903808594	168.0
173.07000732421875	160.0
174.04014587402344	208.0
174.44473266601562	156.0
174.50782775878906	188.0
175.0340576171875	164.0
176.0332489013672	156.0
177.0465850830078	200.0
178.6680450439453	284.0
178.91554260253906	148.0
179.02737426757812	1112.0
180.0102081298828	420.0
181.01766967773438	2636.0
181.98846435546875	224.0
182.0255889892578	5220.0
182.5500030517578	148.0
182.97288513183594	224.0
183.0316162109375	3280.0
184.0034637451172	368.0
184.02479553222656	352.0
184.66067504882812	148.0
184.97996520996094	188.0
185.00198364257812	176.0
185.02723693847656	444.0
189.01309204101562	192.0
189.43499755859375	184.0
191.01065063476562	164.0
192.0124969482422	172.0
193.01824951171875	528.0
193.0578155517578	540.0
193.0930633544922	152.0
193.7352294921875	144.0
194.0012664794922	160.0
194.0242462158203	516.0
194.07057189941406	320.0
194.9616241455078	156.0
195.0312042236328	656.0
196.0104217529297	228.0
196.0472869873047	128.0
197.00326538085938	132.0
197.02630615234375	264.0
197.9842987060547	156.0
198.01434326171875	280.0
199.01455688476562	580.0
199.66673278808594	144.0
200.00262451171875	1308.0
200.0634765625	156.0
201.00050354003906	160.0
201.9879913330078	152.0
202.2058563232422	160.0
202.96221923828125	152.0
202.99908447265625	180.0
204.055419921875	156.0
205.31675720214844	196.0
207.02239990234375	2408.0
207.37522888183594	204.0
207.69061279296875	176.0
207.779541015625	188.0
208.0248565673828	564.0
208.96688842773438	144.0
209.01255798339844	3344.0
209.0423583984375	264.0
209.08790588378906	168.0
209.81568908691406	168.0
209.9762420654297	332.0
210.0211181640625	16664.0
210.06947326660156	224.0
210.96978759765625	176.0
210.98779296875	248.0
211.0231475830078	2912.0
211.8646697998047	216.0
212.01708984375	628.0
212.3545379638672	192.0
212.42288208007812	120.0
212.64334106445312	96.0
213.0124053955078	144.0
213.03314208984375	148.0
213.81590270996094	180.0
213.994873046875	284.0
214.75111389160156	164.0
215.0184326171875	128.0
215.09249877929688	156.0
216.03343200683594	208.0
216.99693298339844	156.0
219.08648681640625	148.0
222.05120849609375	176.0
222.70713806152344	228.0
222.9745330810547	144.0
223.02029418945312	232.0
223.0785675048828	156.0
224.02288818359375	192.0
224.98614501953125	240.0
225.0299530029297	236.0
225.7051544189453	228.0
225.9996337890625	1720.0
227.00653076171875	3960.0
227.09469604492188	228.0
228.00677490234375	652.0
228.1667022705078	180.0
229.00120544433594	216.0
229.052001953125	636.0
229.61337280273438	108.0
229.66632080078125	160.0
230.00192260742188	284.0
231.06797790527344	180.0
231.21926879882812	184.0
231.9849853515625	100.0
232.05538940429688	148.0
233.05691528320312	176.0
234.97076416015625	320.0
235.0126495361328	180.0
235.99208068847656	164.0
238.82870483398438	144.0
239.02252197265625	156.0
240.03297424316406	288.0
241.03965759277344	3944.0
241.2565460205078	188.0
241.98838806152344	312.0
242.03994750976562	796.0
243.03504943847656	284.0
244.0431671142578	120.0
244.50926208496094	156.0
245.03269958496094	1320.0
245.08897399902344	204.0
246.00958251953125	112.0
246.04595947265625	176.0
247.04022216796875	188.0
247.06907653808594	256.0
248.03237915039062	140.0
248.0574493408203	144.0
248.76953125	144.0
249.03128051757812	188.0
249.4449005126953	216.0
251.06954956054688	164.0
252.68679809570312	144.0
252.9856719970703	788.0
253.02972412109375	828.0
253.06715393066406	132.0
253.86097717285156	152.0
253.9908905029297	1276.0
254.1220245361328	148.0
254.98678588867188	172.0
255.0174560546875	172.0
255.98919677734375	124.0
256.0683898925781	308.0
256.986083984375	160.0
257.03460693359375	2976.0
257.98919677734375	120.0
258.0418701171875	480.0
259.03533935546875	216.0
259.9754943847656	280.0
260.00128173828125	316.0
260.05548095703125	128.0
260.6773986816406	184.0
260.9683837890625	120.0
261.02984619140625	208.0
261.3945007324219	152.0
262.0023193359375	164.0
262.02008056640625	164.0
263.0438537597656	620.0
263.936279296875	188.0
264.0240173339844	144.0
264.48626708984375	224.0
264.6934509277344	160.0
265.03033447265625	168.0
266.0176086425781	172.0
267.0135498046875	268.0
268.0235595703125	432.0
268.95233154296875	208.0
269.0379943847656	848.0
270.0501403808594	160.0
270.9981689453125	148.0
271.02569580078125	148.0
271.2518005371094	200.0
272.0128173828125	148.0
273.0412292480469	224.0
274.0085754394531	416.0
274.0692443847656	232.0
275.0109558105469	484.0
275.08074951171875	148.0
275.6355895996094	180.0
276.0041198730469	100.0
276.0373840332031	188.0
277.0218505859375	148.0
278.54443359375	200.0
279.0323486328125	164.0
280.5876770019531	152.0
280.9912109375	172.0
283.8643798828125	164.0
284.0540771484375	272.0
284.39593505859375	200.0
284.4414367675781	148.0
284.60931396484375	144.0
284.7261047363281	168.0
284.90484619140625	152.0
284.9471130371094	104.0
285.029296875	51760.0
285.3396911621094	112.0
285.5406494140625	104.0
285.7142333984375	136.0
286.0304260253906	4112.0
287.02593994140625	2196.0
287.3769836425781	96.0
288.0340881347656	520.0
289.028076171875	372.0
289.5901794433594	148.0
289.8713684082031	140.0
290.0323181152344	400.0
290.8243408203125	152.0
291.03631591796875	2400.0
292.0389404296875	884.0
293.03717041015625	200.0
294.0333251953125	328.0
297.0206604003906	132.0
297.5972900390625	164.0
299.4039306640625	124.0
300.1089782714844	192.0
301.00567626953125	2760.0
301.8803405761719	168.0
302.0131530761719	1832.0
302.0637512207031	536.0
303.0195007324219	1304.0
304.0166320800781	532.0
304.087158203125	140.0
304.4100036621094	176.0
305.01593017578125	140.0
306.050048828125	156.0
307.0555419921875	260.0
309.0348815917969	188.0
309.8407287597656	172.0
310.08599853515625	156.0
310.994384765625	208.0
311.0470275878906	172.0
316.0361022949219	264.0
316.4443054199219	196.0
317.0076904296875	356.0
318.0151062011719	172.0
318.0608215332031	180.0
319.0292053222656	472.0
320.0178527832031	192.0
321.0225524902344	120.0
322.0451354980469	156.0
325.9248962402344	208.0
328.9248352050781	216.0
329.0017395019531	10856.0
329.112548828125	164.0
330.00201416015625	2344.0
330.9976501464844	1368.0
331.5289001464844	192.0
331.9951477050781	252.0
332.0242004394531	192.0
332.4536437988281	144.0
333.0008850097656	156.0
334.0320739746094	176.0
335.02655029296875	1720.0
335.08746337890625	124.0
335.2630615234375	96.0
336.0272216796875	416.0
336.06390380859375	324.0
337.0270690917969	336.0
337.0673828125	140.0
343.6435241699219	152.0
345.0019226074219	128.0
347.0199279785156	152.0
348.0746765136719	192.0
355.0597839355469	116.0
363.0187072753906	472.0
363.06640625	196.0
364.0506896972656	244.0
365.00201416015625	144.0
365.03759765625	128.0
367.0536193847656	316.0
367.21563720703125	164.0
371.1966857910156	152.0
371.956298828125	148.0
376.0768737792969	248.0
380.06719970703125	880.0
381.0567932128906	252.0
381.6494140625	204.0
382.0611572265625	356.0
383.0624694824219	132.0
384.05218505859375	144.0
390.83740234375	160.0
392.0550231933594	304.0
393.0834045410156	140.0
394.0231018066406	152.0
398.70269775390625	196.0
398.7344970703125	236.0
408.0445861816406	656.0
408.1407470703125	176.0
409.062744140625	160.0
410.04852294921875	200.0
411.0370178222656	172.0
411.6423645019531	148.0
412.0411376953125	120.0
413.61932373046875	256.0
414.71295166015625	152.0
416.0474853515625	152.0
420.0612487792969	196.0
426.0448303222656	568.0
426.0953369140625	164.0
427.0527648925781	536.0
428.0531921386719	204.0
428.5214538574219	148.0
430.4146423339844	156.0
436.0347900390625	584.0
436.1649475097656	228.0
437.03839111328125	144.0
437.3045959472656	188.0
437.44195556640625	180.0
438.0540771484375	160.0
446.530029296875	144.0
447.2915954589844	164.0
450.7245178222656	156.0
450.7763671875	268.0
451.93804931640625	164.0
453.0049133300781	200.0
453.2040100097656	184.0
453.3434143066406	452.0
453.4752197265625	148.0
453.5828857421875	128.0
453.638427734375	168.0
453.7547912597656	152.0
453.9826965332031	132.0
454.0494079589844	60452.0
454.1905517578125	180.0
454.238037109375	100.0
454.3557434082031	252.0
454.4567565917969	152.0
454.6442565917969	136.0
454.91229248046875	248.0
455.0506591796875	9752.0
455.18646240234375	140.0
455.2530212402344	160.0
455.3165283203125	176.0
455.4401550292969	140.0
455.4888916015625	204.0
455.6299133300781	112.0
455.875244140625	160.0
456.04559326171875	5244.0
457.04705810546875	1160.0
457.1236267089844	236.0
457.69134521484375	216.0
458.0440979003906	268.0
458.0790100097656	212.0
459.9830017089844	144.0
468.9045104980469	204.0
485.8984375	172.0
547.6986083984375	172.0
575.959228515625	144.0
652.80126953125	160.0
718.3825073242188	140.0
1024.81396484375	184.0
1055.346923828125	196.0
1119.827880859375	196.0
1222.293701171875	244.0
1444.1800537109375	172.0
1472.5374755859375	148.0
1498.295654296875	176.0
1557.7005615234375	168.0
1578.9263916015625	152.0
1583.2156982421875	164.0
1607.5255126953125	180.0
1711.1580810546875	148.0
1722.93505859375	152.0
1738.376953125	140.0
1755.3966064453125	172.0
1772.27294921875	168.0
1786.755859375	216.0
1819.18212890625	208.0
1819.2669677734375	192.0
1842.815185546875	160.0
1872.06494140625	140.0
1917.713623046875	168.0
1928.4403076171875	176.0
1929.9263916015625	172.0
1940.9588623046875	160.0
1955.788330078125	204.0
1966.6826171875	156.0
1990.079833984375	164.0
1999.50244140625	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079065
PEPMASS=546.28064
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=35.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_C2_D11_BD1_01_15723.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=HOMOHARRINGTONINE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC
INCHI=InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1
INCHIAUX=HYFHYPWGAURHIV-JFIAXGOJSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079065
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079065
SCANS=1037
45.38416290283203	132.0
45.569923400878906	152.0
46.04678726196289	276.0
46.15895462036133	156.0
46.49763107299805	140.0
46.74360275268555	160.0
46.85661315917969	144.0
47.223079681396484	188.0
47.99561309814453	228.0
48.273162841796875	168.0
48.331764221191406	132.0
48.677799224853516	152.0
49.08272933959961	144.0
49.75010681152344	180.0
50.77644729614258	132.0
51.3077392578125	196.0
51.31914138793945	156.0
51.81492614746094	176.0
52.237152099609375	168.0
53.24314498901367	192.0
53.6112060546875	168.0
53.85485076904297	164.0
54.38048553466797	152.0
54.41865158081055	180.0
54.61410140991211	144.0
55.04591369628906	156.0
55.29279327392578	268.0
55.34904479980469	180.0
55.449241638183594	176.0
55.525394439697266	172.0
55.809024810791016	168.0
56.205230712890625	148.0
56.235076904296875	212.0
56.2694091796875	148.0
56.339603424072266	152.0
56.80066680908203	160.0
57.266624450683594	168.0
57.47013473510742	152.0
57.54409408569336	144.0
57.737510681152344	148.0
57.81617736816406	160.0
57.93428039550781	212.0
58.06008529663086	196.0
58.10710906982422	148.0
58.24618911743164	208.0
58.88496780395508	160.0
59.383914947509766	140.0
59.53278350830078	140.0
59.90499496459961	212.0
59.9959602355957	140.0
60.045257568359375	184.0
60.27373123168945	148.0
60.414424896240234	156.0
60.59400939941406	200.0
61.19195556640625	364.0
61.78022384643555	128.0
61.844478607177734	168.0
62.070072174072266	152.0
62.20813751220703	228.0
63.462379455566406	240.0
63.916656494140625	152.0
64.04401397705078	144.0
64.6715087890625	220.0
65.37284851074219	160.0
66.0731201171875	188.0
66.46359252929688	208.0
66.69949340820312	124.0
66.86334991455078	160.0
66.91217803955078	172.0
67.47830963134766	148.0
67.5829849243164	160.0
68.05831909179688	256.0
68.07145690917969	184.0
68.26042938232422	204.0
68.49413299560547	204.0
68.52213287353516	204.0
68.76123809814453	140.0
68.86524963378906	232.0
69.2244644165039	124.0
69.2555923461914	140.0
70.38980865478516	212.0
70.56525421142578	188.0
70.7677001953125	172.0
70.99055480957031	184.0
71.33138275146484	152.0
71.80789184570312	148.0
71.9817123413086	176.0
72.39601135253906	192.0
72.51121520996094	184.0
72.80957794189453	148.0
72.99095153808594	212.0
73.02224731445312	148.0
73.06477355957031	152.0
73.11922454833984	152.0
73.81517791748047	96.0
73.88195037841797	168.0
73.96751403808594	304.0
74.51457214355469	172.0
75.0481185913086	180.0
75.18439483642578	180.0
75.6649169921875	208.0
75.87628173828125	196.0
75.89436340332031	128.0
76.05322265625	156.0
76.57308197021484	200.0
76.76129150390625	208.0
77.10345458984375	172.0
77.28531646728516	288.0
77.44287109375	164.0
77.56552124023438	160.0
77.87433624267578	392.0
78.06990814208984	172.0
78.44444274902344	160.0
78.68498992919922	232.0
79.26982116699219	200.0
79.33894348144531	144.0
79.4195785522461	144.0
79.83788299560547	152.0
80.2616958618164	164.0
81.27947235107422	160.0
81.50751495361328	148.0
81.78627014160156	172.0
82.45179748535156	156.0
82.66156768798828	140.0
82.67859649658203	224.0
83.472412109375	156.0
84.19222259521484	140.0
84.50662994384766	172.0
84.59264373779297	228.0
84.97749328613281	148.0
85.63191223144531	148.0
85.68717193603516	184.0
85.78852844238281	164.0
86.01911926269531	168.0
86.25556182861328	176.0
86.9389877319336	172.0
87.65865325927734	164.0
88.03173828125	180.0
88.59284973144531	140.0
88.61720275878906	188.0
89.0467758178711	172.0
89.32872009277344	156.0
89.58284759521484	140.0
90.04308319091797	160.0
90.19612121582031	152.0
90.4874496459961	156.0
90.78683471679688	156.0
91.05632019042969	280.0
91.73941040039062	232.0
92.18602752685547	168.0
92.2070541381836	144.0
92.51309204101562	144.0
92.97310638427734	176.0
93.06932067871094	196.0
93.31886291503906	212.0
93.75196075439453	148.0
94.05725860595703	232.0
94.0798568725586	152.0
94.32131958007812	184.0
94.8547134399414	148.0
94.98548889160156	188.0
96.0768051147461	168.0
96.40091705322266	172.0
96.54166412353516	144.0
97.0429458618164	176.0
97.38832092285156	160.0
97.68710327148438	140.0
97.73431396484375	140.0
97.94693756103516	224.0
98.22683715820312	180.0
98.24064636230469	316.0
98.4814682006836	184.0
98.50531768798828	156.0
98.53598022460938	200.0
98.66938018798828	208.0
98.74433135986328	140.0
99.0531005859375	148.0
99.62023162841797	180.0
99.90271759033203	216.0
100.07671356201172	168.0
100.36454772949219	156.0
100.8478775024414	144.0
100.96984100341797	188.0
101.07986450195312	144.0
101.11788940429688	188.0
101.2640380859375	180.0
101.32281494140625	184.0
101.6168441772461	248.0
102.1622543334961	308.0
102.4662094116211	124.0
103.24368286132812	148.0
103.55203247070312	216.0
103.63509368896484	200.0
103.76683044433594	144.0
105.20721435546875	232.0
105.48094940185547	156.0
105.85125732421875	188.0
106.06227111816406	144.0
106.3330078125	172.0
106.39869689941406	164.0
106.47672271728516	144.0
106.79117584228516	156.0
107.08573913574219	472.0
107.7621078491211	192.0
108.0556869506836	188.0
108.08770751953125	124.0
109.06455993652344	1276.0
109.10122680664062	168.0
109.37135314941406	192.0
109.92363739013672	140.0
110.06268310546875	104.0
110.3978271484375	228.0
111.06405639648438	164.0
111.08180236816406	168.0
111.45858001708984	124.0
111.48583221435547	152.0
111.61189270019531	128.0
111.69818115234375	148.0
111.71711730957031	152.0
111.96548461914062	180.0
111.99918365478516	176.0
112.08345031738281	168.0
112.2035903930664	140.0
112.25630187988281	176.0
112.34488677978516	216.0
112.39762878417969	176.0
112.5242691040039	144.0
113.43181610107422	140.0
113.77547454833984	156.0
113.94750213623047	156.0
113.99849700927734	168.0
114.14729309082031	196.0
114.587890625	144.0
114.64541625976562	180.0
115.05523681640625	324.0
115.85047912597656	188.0
116.2589340209961	108.0
116.76702117919922	196.0
117.05538940429688	212.0
117.0704574584961	184.0
117.46919250488281	204.0
117.74546813964844	172.0
118.06098937988281	168.0
119.05048370361328	180.0
119.2403564453125	148.0
119.73638916015625	236.0
119.77304077148438	192.0
119.8714599609375	228.0
120.03712463378906	168.0
120.08065032958984	1032.0
120.37535095214844	172.0
120.42558288574219	144.0
120.52607727050781	140.0
120.91313171386719	160.0
120.97441864013672	144.0
121.00287628173828	232.0
121.06559753417969	300.0
121.35562133789062	200.0
121.46308135986328	144.0
122.05551147460938	172.0
122.09748840332031	188.0
122.16877746582031	156.0
122.32225036621094	140.0
122.51163482666016	224.0
122.64163970947266	196.0
123.08028411865234	1628.0
123.21784973144531	136.0
123.29853057861328	108.0
123.37007904052734	140.0
124.00859832763672	112.0
124.0765380859375	276.0
124.46455383300781	144.0
124.57115936279297	160.0
124.81118774414062	188.0
125.06010437011719	140.0
125.09225463867188	180.0
125.38774108886719	152.0
126.0913314819336	1664.0
126.74866485595703	140.0
127.06227111816406	152.0
127.0962142944336	168.0
127.48468780517578	204.0
128.075439453125	160.0
128.26519775390625	156.0
128.31300354003906	240.0
128.42575073242188	140.0
128.9653778076172	208.0
129.033203125	140.0
129.0545196533203	1248.0
129.15304565429688	156.0
129.2752227783203	140.0
129.41329956054688	148.0
129.76673889160156	172.0
130.06077575683594	260.0
130.27964782714844	164.0
130.75694274902344	132.0
131.04957580566406	724.0
131.3943328857422	208.0
131.5663299560547	172.0
131.8221435546875	144.0
132.01416015625	148.0
132.05303955078125	152.0
132.09075927734375	220.0
132.38487243652344	140.0
132.90589904785156	224.0
133.0314483642578	224.0
133.06210327148438	212.0
133.13092041015625	136.0
133.52545166015625	240.0
133.58985900878906	148.0
134.0941162109375	140.0
134.50929260253906	176.0
134.64320373535156	152.0
134.88754272460938	112.0
135.0429229736328	628.0
135.0804443359375	704.0
135.16795349121094	144.0
135.4573516845703	144.0
135.76097106933594	188.0
136.07534790039062	132.0
136.2786102294922	160.0
136.31346130371094	180.0
136.77162170410156	152.0
137.0935821533203	232.0
137.28651428222656	164.0
137.39988708496094	132.0
137.9893341064453	192.0
138.03843688964844	172.0
138.09097290039062	180.0
138.8346405029297	168.0
138.99649047851562	180.0
139.05543518066406	308.0
139.09722900390625	316.0
140.26412963867188	168.0
140.38436889648438	204.0
140.69581604003906	160.0
141.07142639160156	152.0
141.09034729003906	156.0
141.16836547851562	148.0
141.5517120361328	152.0
141.59982299804688	128.0
141.6630401611328	160.0
142.06716918945312	300.0
142.14431762695312	148.0
142.9141845703125	148.0
143.04730224609375	816.0
143.08106994628906	168.0
144.0435333251953	152.0
144.07577514648438	184.0
144.15171813964844	152.0
144.1756134033203	148.0
145.06927490234375	172.0
145.4486846923828	116.0
145.5674285888672	144.0
146.0072021484375	188.0
146.02403259277344	148.0
146.06063842773438	180.0
146.1576385498047	140.0
146.48617553710938	156.0
146.5439910888672	172.0
147.04074096679688	168.0
147.78501892089844	172.0
147.92779541015625	168.0
148.05113220214844	124.0
148.0767822265625	584.0
148.63063049316406	180.0
148.7932586669922	176.0
148.90980529785156	200.0
149.06002807617188	2036.0
149.22006225585938	136.0
149.45677185058594	144.0
149.78543090820312	196.0
149.8172149658203	172.0
149.94654846191406	160.0
150.04812622070312	140.0
150.09213256835938	18672.0
150.33432006835938	292.0
150.78936767578125	172.0
151.0959014892578	1104.0
151.5149688720703	148.0
151.99798583984375	144.0
152.06378173828125	392.0
152.09852600097656	516.0
152.40711975097656	160.0
152.52999877929688	172.0
152.74484252929688	164.0
153.0106201171875	216.0
153.06741333007812	132.0
153.0924835205078	508.0
153.12142944335938	188.0
153.32591247558594	172.0
153.36534118652344	160.0
154.06365966796875	184.0
154.09298706054688	212.0
154.3421630859375	204.0
154.36520385742188	152.0
154.54576110839844	148.0
154.87254333496094	184.0
155.08236694335938	128.0
155.6746063232422	152.0
156.7158203125	148.0
156.80055236816406	156.0
156.97755432128906	192.0
157.068603515625	244.0
157.17710876464844	188.0
157.44920349121094	184.0
157.74575805664062	228.0
158.0685577392578	132.0
158.9110565185547	144.0
159.04345703125	1132.0
159.26751708984375	168.0
159.75015258789062	144.0
159.9162139892578	176.0
160.0478973388672	308.0
160.0772705078125	140.0
160.1453399658203	140.0
160.4426727294922	168.0
160.71759033203125	224.0
161.05943298339844	1228.0
161.10638427734375	188.0
161.48048400878906	148.0
161.52854919433594	184.0
161.62974548339844	220.0
161.7608184814453	172.0
162.13113403320312	164.0
162.7576904296875	144.0
162.81610107421875	156.0
162.95834350585938	164.0
163.06455993652344	200.0
163.09609985351562	500.0
163.15150451660156	172.0
163.31423950195312	188.0
163.4567108154297	168.0
164.10134887695312	152.0
164.32810974121094	152.0
164.4123077392578	140.0
164.48123168945312	164.0
164.5067596435547	200.0
164.9870147705078	156.0
165.0697021484375	492.0
165.3937530517578	144.0
165.73178100585938	164.0
166.07981872558594	284.0
166.498779296875	152.0
167.048583984375	136.0
167.10476684570312	988.0
167.95294189453125	240.0
168.0122833251953	160.0
168.08294677734375	300.0
168.17294311523438	212.0
169.06434631347656	304.0
169.08499145507812	164.0
169.1087188720703	188.0
169.6777801513672	144.0
169.82298278808594	148.0
169.89199829101562	176.0
170.05718994140625	672.0
170.09727478027344	264.0
170.53179931640625	148.0
171.0782012939453	576.0
171.85467529296875	144.0
172.0517578125	160.0
172.36383056640625	188.0
172.4971160888672	160.0
172.947021484375	156.0
173.06008911132812	3072.0
173.16387939453125	116.0
173.6811065673828	120.0
174.0546875	1172.0
174.99462890625	188.0
175.05990600585938	148.0
175.40509033203125	168.0
175.87020874023438	120.0
175.95225524902344	160.0
176.00975036621094	208.0
176.0708770751953	8132.0
176.11888122558594	160.0
176.78955078125	144.0
177.0740203857422	2320.0
177.2955780029297	144.0
178.0799102783203	300.0
179.08462524414062	788.0
179.14996337890625	144.0
179.26889038085938	132.0
179.73382568359375	192.0
180.0609893798828	172.0
180.08457946777344	240.0
180.35340881347656	196.0
181.06430053710938	424.0
181.101806640625	288.0
182.07366943359375	604.0
182.15672302246094	204.0
182.3448028564453	196.0
182.62173461914062	140.0
183.07981872558594	376.0
183.12171936035156	412.0
183.1762237548828	196.0
183.9471893310547	180.0
184.0428466796875	152.0
184.07830810546875	276.0
184.12022399902344	184.0
184.55958557128906	108.0
184.94754028320312	192.0
184.98814392089844	152.0
185.05978393554688	1772.0
185.09947204589844	164.0
185.29275512695312	192.0
186.05813598632812	160.0
186.72195434570312	164.0
186.9444122314453	172.0
187.068115234375	564.0
187.7490692138672	196.0
188.0487823486328	164.0
188.07147216796875	652.0
189.0298614501953	168.0
189.0761260986328	752.0
189.84381103515625	156.0
190.0857391357422	1212.0
190.43350219726562	148.0
190.47744750976562	176.0
190.87045288085938	192.0
190.9859619140625	172.0
191.0860137939453	1224.0
191.40977478027344	160.0
191.43455505371094	172.0
191.8754119873047	172.0
192.05189514160156	164.0
192.09019470214844	684.0
192.3526611328125	148.0
192.50726318359375	220.0
192.68191528320312	120.0
192.94381713867188	152.0
193.06777954101562	912.0
193.1001739501953	484.0
193.35597229003906	160.0
194.0068817138672	148.0
194.0704803466797	440.0
194.098876953125	156.0
194.41183471679688	148.0
194.48121643066406	180.0
194.53421020507812	196.0
194.63946533203125	200.0
194.93377685546875	176.0
195.08163452148438	1604.0
195.42605590820312	176.0
195.99127197265625	148.0
196.0774383544922	316.0
196.10626220703125	300.0
197.0589599609375	992.0
197.099365234375	1176.0
197.35057067871094	140.0
198.0636444091797	340.0
198.09230041503906	448.0
198.11427307128906	168.0
198.41368103027344	256.0
199.07569885253906	972.0
199.2676544189453	172.0
199.482177734375	144.0
199.8704376220703	176.0
200.07015991210938	1688.0
200.3507843017578	160.0
200.5818634033203	144.0
201.0547637939453	508.0
201.0778045654297	532.0
201.1204071044922	164.0
201.1983184814453	144.0
201.70567321777344	152.0
202.0863494873047	376.0
202.31349182128906	144.0
202.72767639160156	136.0
202.7511444091797	124.0
203.06988525390625	408.0
203.09169006347656	288.0
203.44822692871094	116.0
204.1024169921875	120.0
204.67567443847656	152.0
205.07691955566406	288.0
205.53648376464844	188.0
206.07057189941406	148.0
206.4734649658203	156.0
207.07774353027344	1428.0
207.11170959472656	140.0
207.22628784179688	156.0
207.2520751953125	144.0
207.37530517578125	144.0
208.08091735839844	752.0
208.1127166748047	2108.0
208.19332885742188	148.0
209.0600128173828	532.0
209.09251403808594	648.0
209.11087036132812	352.0
209.42962646484375	140.0
209.48040771484375	172.0
209.7606658935547	104.0
209.87631225585938	140.0
210.06741333007812	836.0
210.0942840576172	308.0
210.1255645751953	516.0
210.36099243164062	140.0
210.38409423828125	164.0
210.5804443359375	140.0
210.72572326660156	136.0
210.99365234375	148.0
211.07350158691406	1488.0
211.11073303222656	720.0
211.1642608642578	264.0
212.0758056640625	880.0
212.10694885253906	616.0
212.4474334716797	204.0
212.9873504638672	160.0
213.0525665283203	232.0
213.086669921875	468.0
213.60357666015625	168.0
214.0851593017578	1852.0
214.19378662109375	152.0
214.21778869628906	168.0
214.483642578125	228.0
214.54124450683594	208.0
214.58206176757812	160.0
214.68788146972656	124.0
214.82704162597656	144.0
215.06964111328125	4696.0
215.12469482421875	156.0
215.1463165283203	184.0
216.0756072998047	1072.0
216.1013946533203	904.0
216.46551513671875	152.0
217.07650756835938	296.0
217.1062469482422	160.0
218.0634765625	132.0
218.1072998046875	148.0
218.34481811523438	176.0
218.3742218017578	176.0
218.5723876953125	188.0
218.88040161132812	168.0
219.08181762695312	1852.0
219.156494140625	180.0
219.45791625976562	184.0
219.86203002929688	240.0
220.085693359375	936.0
220.124755859375	172.0
220.81332397460938	164.0
221.06182861328125	140.0
221.08961486816406	384.0
221.1866455078125	160.0
221.65701293945312	144.0
221.96530151367188	144.0
222.02163696289062	232.0
222.0664825439453	484.0
222.09317016601562	148.0
222.80227661132812	208.0
222.89633178710938	140.0
223.03643798828125	160.0
223.07525634765625	6728.0
223.11122131347656	4532.0
223.20350646972656	236.0
223.24429321289062	208.0
223.56939697265625	148.0
223.61106872558594	140.0
223.8015899658203	156.0
223.9207000732422	180.0
224.0786590576172	2464.0
224.11341857910156	1284.0
224.36180114746094	108.0
225.05552673339844	348.0
225.0897979736328	2852.0
225.40744018554688	96.0
225.56173706054688	156.0
225.74021911621094	172.0
226.00978088378906	152.0
226.08717346191406	16016.0
226.33657836914062	144.0
226.36767578125	168.0
226.4859161376953	148.0
226.5881805419922	176.0
226.63441467285156	156.0
226.73500061035156	272.0
227.01516723632812	144.0
227.0948486328125	28352.0
227.2057647705078	160.0
227.24356079101562	140.0
227.50979614257812	192.0
227.55690002441406	332.0
227.62570190429688	96.0
227.69625854492188	176.0
227.75509643554688	212.0
227.8812713623047	164.0
228.0988311767578	6060.0
228.6164093017578	164.0
228.65345764160156	156.0
228.8178253173828	100.0
228.8924102783203	116.0
229.04269409179688	164.0
229.08705139160156	5316.0
229.109619140625	9164.0
229.17916870117188	176.0
229.23426818847656	236.0
229.32431030273438	200.0
229.42462158203125	128.0
229.47479248046875	96.0
230.04458618164062	108.0
230.1140594482422	3264.0
230.16737365722656	196.0
230.4407501220703	204.0
231.0939483642578	272.0
231.11378479003906	340.0
231.5060272216797	156.0
232.01295471191406	176.0
232.37081909179688	176.0
232.51974487304688	104.0
233.09402465820312	280.0
233.3974151611328	148.0
233.61639404296875	140.0
234.0775909423828	180.0
234.08999633789062	128.0
235.00527954101562	140.0
235.0738067626953	308.0
235.103759765625	492.0
235.3230438232422	160.0
235.64678955078125	164.0
235.78123474121094	224.0
236.02659606933594	160.0
236.10630798339844	4300.0
236.2337646484375	160.0
236.42039489746094	168.0
236.44793701171875	180.0
237.09078979492188	4784.0
237.16873168945312	200.0
237.20753479003906	152.0
237.39964294433594	164.0
237.9740753173828	148.0
238.02566528320312	120.0
238.08750915527344	3728.0
238.12059020996094	716.0
238.27964782714844	168.0
238.38421630859375	164.0
238.57972717285156	188.0
238.86085510253906	368.0
238.8933868408203	184.0
239.0032958984375	144.0
239.07656860351562	1296.0
239.099609375	2264.0
239.75628662109375	148.0
239.8552703857422	120.0
239.9507293701172	112.0
240.03048706054688	140.0
240.10260009765625	16056.0
240.1361541748047	648.0
240.64248657226562	136.0
240.69094848632812	184.0
240.9202117919922	184.0
240.96392822265625	160.0
241.1052703857422	3896.0
241.9297637939453	108.0
242.08299255371094	4216.0
242.25204467773438	304.0
242.33384704589844	148.0
242.75271606445312	148.0
242.7934112548828	132.0
242.82177734375	236.0
242.96327209472656	168.0
243.09915161132812	1632.0
244.1023712158203	364.0
244.77000427246094	104.0
244.8860626220703	152.0
245.09439086914062	348.0
245.22254943847656	152.0
245.89622497558594	172.0
245.99609375	156.0
246.71966552734375	232.0
246.8709259033203	228.0
247.0709991455078	124.0
247.07850646972656	120.0
248.09515380859375	168.0
248.64877319335938	176.0
249.09178161621094	2460.0
249.23443603515625	240.0
249.35061645507812	152.0
249.47398376464844	112.0
249.74685668945312	212.0
249.7688751220703	148.0
249.94631958007812	136.0
250.09730529785156	2848.0
250.24288940429688	108.0
250.3416748046875	176.0
250.53802490234375	140.0
250.68504333496094	180.0
250.99127197265625	184.0
251.105712890625	19712.0
251.29827880859375	120.0
251.35748291015625	108.0
251.54605102539062	276.0
251.62001037597656	160.0
251.75018310546875	104.0
251.87445068359375	164.0
252.02293395996094	232.0
252.10740661621094	4452.0
252.26406860351562	120.0
252.69711303710938	172.0
252.83731079101562	312.0
252.9146728515625	136.0
253.03887939453125	204.0
253.08753967285156	8604.0
253.10794067382812	7848.0
253.1938018798828	168.0
253.28981018066406	96.0
253.97520446777344	128.0
254.02377319335938	180.0
254.08734130859375	1476.0
254.114501953125	3420.0
254.3562774658203	132.0
254.91592407226562	204.0
255.0207977294922	148.0
255.0985870361328	5204.0
256.1009216308594	1920.0
256.39251708984375	176.0
256.62774658203125	140.0
256.77685546875	164.0
256.9304504394531	124.0
257.1030578613281	1228.0
257.205810546875	208.0
257.51751708984375	124.0
257.7613220214844	212.0
257.85333251953125	164.0
258.1080017089844	480.0
258.1424560546875	168.0
258.7946472167969	204.0
259.0572509765625	152.0
259.0927734375	136.0
259.172607421875	140.0
259.75927734375	160.0
260.05126953125	144.0
260.9892883300781	176.0
261.3656311035156	176.0
261.4060974121094	152.0
262.267333984375	208.0
262.6575012207031	196.0
262.7607116699219	144.0
263.1124267578125	152.0
263.2501525878906	120.0
264.1044921875	1100.0
264.7433776855469	156.0
264.822021484375	120.0
265.06280517578125	164.0
265.10272216796875	880.0
265.5815124511719	188.0
265.6690979003906	176.0
265.69830322265625	180.0
266.0558776855469	192.0
266.11822509765625	42684.0
266.3716735839844	112.0
266.4648742675781	132.0
266.57659912109375	152.0
266.63037109375	220.0
266.97540283203125	104.0
267.1242980957031	27384.0
267.23077392578125	156.0
267.310546875	176.0
267.4069519042969	128.0
267.4465637207031	168.0
267.896240234375	120.0
268.0980224609375	3264.0
268.13079833984375	7760.0
268.1921691894531	180.0
268.356201171875	172.0
268.7767639160156	208.0
268.95025634765625	116.0
269.04534912109375	140.0
269.1170654296875	3992.0
269.3834228515625	200.0
269.4741516113281	160.0
269.7001953125	140.0
269.82196044921875	104.0
269.8932800292969	172.0
269.92413330078125	128.0
270.1131896972656	9568.0
270.275146484375	132.0
270.4035949707031	180.0
270.7583312988281	168.0
270.8466491699219	264.0
271.1161804199219	2060.0
271.23223876953125	144.0
271.3769836425781	120.0
271.7464599609375	144.0
272.118896484375	260.0
272.16265869140625	152.0
272.78814697265625	160.0
272.865234375	224.0
273.6511535644531	132.0
273.8946228027344	152.0
274.3583984375	240.0
274.6287841796875	188.0
274.69805908203125	140.0
275.02410888671875	108.0
275.0676574707031	188.0
275.1963806152344	144.0
275.24102783203125	120.0
275.30865478515625	164.0
275.9166259765625	120.0
276.06451416015625	172.0
276.1315612792969	160.0
276.2738037109375	152.0
277.1555480957031	148.0
277.18310546875	148.0
277.23883056640625	140.0
277.3301086425781	168.0
277.8374328613281	156.0
278.2190856933594	180.0
278.6441650390625	140.0
278.8568420410156	152.0
279.12994384765625	108.0
279.2491760253906	232.0
280.0045166015625	100.0
280.0711364746094	100.0
280.1078186035156	136.0
280.5077819824219	164.0
280.8240051269531	148.0
281.1169128417969	7188.0
281.2416076660156	148.0
281.5391845703125	120.0
281.62994384765625	168.0
281.99310302734375	152.0
282.1151123046875	3940.0
282.2471618652344	172.0
282.3897705078125	148.0
282.6627197265625	120.0
282.91259765625	152.0
282.9322814941406	288.0
283.052001953125	136.0
283.1204528808594	9364.0
283.3236083984375	140.0
283.7437744140625	144.0
283.9718017578125	160.0
284.0589294433594	124.0
284.128662109375	37044.0
284.2491760253906	152.0
284.352294921875	160.0
284.45367431640625	144.0
284.5965576171875	116.0
284.6678466796875	128.0
285.0162658691406	96.0
285.13104248046875	6692.0
285.21142578125	120.0
285.73291015625	144.0
285.8489685058594	160.0
285.9814758300781	112.0
286.1361083984375	820.0
286.8971862792969	164.0
286.9376525878906	156.0
286.983642578125	120.0
287.13494873046875	152.0
287.2325134277344	160.0
287.3027038574219	116.0
288.1603088378906	232.0
288.4669189453125	148.0
288.862548828125	144.0
289.2664794921875	120.0
290.2866516113281	152.0
290.9296875	156.0
291.9217834472656	204.0
292.0833435058594	144.0
292.1088562011719	168.0
292.4627380371094	216.0
293.3671875	160.0
293.634765625	164.0
293.9451904296875	216.0
294.1190185546875	216.0
294.15960693359375	268.0
294.83990478515625	148.0
295.1118469238281	196.0
295.4998474121094	140.0
295.58099365234375	100.0
295.79132080078125	160.0
295.9117126464844	152.0
296.1282043457031	4224.0
296.5502014160156	164.0
296.7958984375	100.0
296.966796875	100.0
297.0399169921875	116.0
297.1324768066406	764.0
297.2267761230469	164.0
297.2747497558594	164.0
297.40362548828125	144.0
297.4717102050781	164.0
297.595458984375	268.0
297.66949462890625	144.0
297.7425231933594	184.0
297.8044738769531	296.0
297.8716735839844	280.0
298.00299072265625	400.0
298.0587158203125	156.0
298.1027526855469	496.0
298.14581298828125	227152.0
298.2714538574219	328.0
298.31060791015625	108.0
298.3391418457031	212.0
298.4259338378906	104.0
298.4649963378906	144.0
298.512939453125	208.0
298.53826904296875	192.0
298.6165466308594	308.0
298.6501770019531	212.0
298.67547607421875	236.0
298.71063232421875	1744.0
298.76861572265625	408.0
298.80316162109375	316.0
298.857177734375	120.0
298.9184265136719	100.0
298.9834289550781	264.0
299.0190124511719	172.0
299.0567626953125	184.0
299.0910339355469	256.0
299.1475830078125	62776.0
299.24566650390625	136.0
299.4701843261719	228.0
299.57525634765625	180.0
299.68212890625	132.0
299.7279968261719	204.0
299.83563232421875	124.0
299.8868713378906	200.0
299.9485778808594	168.0
300.1490173339844	5912.0
300.22100830078125	196.0
300.3069763183594	100.0
300.58831787109375	108.0
300.61639404296875	112.0
300.7203063964844	168.0
300.87811279296875	208.0
300.9178771972656	268.0
301.0317077636719	200.0
301.15460205078125	864.0
301.1878662109375	388.0
301.2276916503906	144.0
301.2737731933594	240.0
301.3685607910156	104.0
301.4368591308594	160.0
301.4670104980469	228.0
301.52813720703125	96.0
301.5732116699219	124.0
302.01617431640625	216.0
302.12603759765625	144.0
302.186767578125	200.0
302.2657165527344	120.0
302.682861328125	96.0
303.2750244140625	132.0
303.86517333984375	216.0
304.39434814453125	96.0
304.9335632324219	124.0
305.2301940917969	144.0
306.0722351074219	152.0
306.114013671875	276.0
307.42938232421875	108.0
308.36767578125	168.0
308.8851623535156	164.0
310.03704833984375	144.0
310.64361572265625	164.0
311.3514099121094	108.0
311.5141906738281	160.0
311.9132995605469	96.0
311.958984375	124.0
312.0113220214844	112.0
313.16650390625	156.0
314.1370849609375	756.0
315.14208984375	328.0
315.3690185546875	160.0
315.6930236816406	192.0
316.0123291015625	228.0
316.1546936035156	18120.0
317.0023193359375	168.0
317.1571960449219	4632.0
317.64910888671875	124.0
317.950927734375	180.0
318.1573181152344	932.0
318.2512512207031	116.0
318.7783508300781	140.0
318.833251953125	160.0
319.16864013671875	412.0
320.9496765136719	148.0
321.038818359375	140.0
321.2586364746094	160.0
321.75958251953125	160.0
322.4082336425781	140.0
322.6277160644531	188.0
323.36639404296875	124.0
324.6542663574219	176.0
324.7008972167969	176.0
325.0381164550781	144.0
325.13140869140625	164.0
326.1622009277344	184.0
327.0218200683594	168.0
327.7817077636719	144.0
328.3094482421875	128.0
328.63623046875	168.0
329.6278381347656	120.0
330.7394714355469	172.0
330.95306396484375	188.0
331.85418701171875	96.0
332.47552490234375	144.0
332.9184265136719	164.0
333.04034423828125	116.0
333.1327209472656	180.0
335.8481750488281	148.0
336.1509704589844	148.0
336.4022521972656	164.0
336.9652099609375	156.0
337.9706726074219	168.0
338.15631103515625	164.0
338.57464599609375	168.0
338.94097900390625	200.0
340.5507507324219	168.0
340.5955505371094	144.0
340.9078063964844	164.0
341.37469482421875	140.0
343.6509704589844	124.0
344.0274658203125	196.0
344.0847473144531	148.0
344.252685546875	144.0
344.4494934082031	140.0
344.5814208984375	152.0
344.62860107421875	208.0
345.9475402832031	156.0
346.10418701171875	164.0
346.682373046875	180.0
347.40667724609375	132.0
347.6063537597656	120.0
347.8181457519531	116.0
350.011474609375	192.0
350.3280334472656	140.0
350.4472351074219	144.0
350.72674560546875	108.0
350.771484375	148.0
350.9056701660156	244.0
351.7637023925781	168.0
351.82342529296875	172.0
352.07733154296875	140.0
352.76483154296875	168.0
353.871826171875	124.0
353.9508056640625	164.0
354.57537841796875	132.0
356.3099670410156	176.0
356.65570068359375	140.0
357.0579833984375	144.0
357.648681640625	208.0
358.69110107421875	160.0
358.7372741699219	140.0
358.9355163574219	192.0
359.2576904296875	148.0
359.3029479980469	252.0
360.7266540527344	264.0
360.9875183105469	220.0
361.2221984863281	152.0
361.3960266113281	180.0
361.6079406738281	144.0
362.6318054199219	132.0
363.1310119628906	152.0
363.3889465332031	164.0
363.6280212402344	168.0
364.27349853515625	140.0
364.5964660644531	148.0
366.884033203125	140.0
367.12322998046875	136.0
367.20672607421875	108.0
367.8873291015625	156.0
367.97894287109375	176.0
369.82147216796875	144.0
370.2437438964844	152.0
371.41925048828125	148.0
372.3711242675781	148.0
372.4671325683594	144.0
373.2011413574219	168.0
374.87554931640625	164.0
376.0633850097656	152.0
376.25238037109375	104.0
376.883544921875	220.0
378.3633728027344	160.0
378.77020263671875	132.0
378.8358154296875	152.0
379.11505126953125	184.0
379.6497802734375	148.0
380.02728271484375	160.0
380.28900146484375	120.0
380.7350769042969	156.0
381.2375183105469	148.0
381.7389831542969	168.0
382.139404296875	152.0
383.0389099121094	172.0
383.13238525390625	152.0
383.3427734375	188.0
383.9373779296875	160.0
384.31903076171875	120.0
385.0643005371094	180.0
385.2819519042969	172.0
385.446044921875	184.0
385.79779052734375	152.0
386.05474853515625	144.0
386.2826843261719	156.0
387.2690734863281	164.0
387.5315246582031	192.0
387.80584716796875	144.0
388.2527770996094	152.0
388.4422912597656	120.0
388.64898681640625	156.0
388.776123046875	112.0
388.8608703613281	224.0
390.0830383300781	184.0
390.7509765625	144.0
390.95953369140625	212.0
391.1890563964844	100.0
392.8704833984375	144.0
393.8157958984375	148.0
394.7047119140625	152.0
394.8234558105469	152.0
395.20538330078125	152.0
395.2823181152344	156.0
395.4309387207031	144.0
395.47235107421875	104.0
395.55364990234375	172.0
395.6986389160156	212.0
395.7753601074219	144.0
397.384521484375	152.0
397.4480285644531	144.0
398.8816833496094	140.0
399.0884094238281	212.0
399.78350830078125	152.0
401.25830078125	148.0
401.7687683105469	208.0
401.8684997558594	168.0
402.3314514160156	180.0
402.8676452636719	136.0
403.1395263671875	116.0
403.396484375	140.0
403.5699768066406	172.0
405.30731201171875	144.0
405.5515441894531	164.0
405.6918640136719	152.0
405.8562316894531	140.0
406.9273376464844	112.0
407.47772216796875	140.0
407.5862121582031	172.0
409.6798400878906	148.0
410.795654296875	136.0
411.4166259765625	144.0
412.2527770996094	112.0
414.170166015625	260.0
415.22393798828125	152.0
417.133544921875	116.0
417.1820373535156	180.0
418.2648620605469	292.0
419.1016845703125	248.0
420.1946716308594	200.0
420.42462158203125	160.0
421.3738098144531	152.0
423.63720703125	264.0
423.68780517578125	108.0
424.06304931640625	144.0
424.1883850097656	104.0
424.2597961425781	192.0
425.2139892578125	96.0
425.7369079589844	240.0
426.3572082519531	180.0
426.5075378417969	132.0
426.94921875	140.0
427.76385498046875	180.0
428.30328369140625	144.0
429.0107421875	192.0
429.5481262207031	148.0
430.5510559082031	152.0
431.35357666015625	140.0
431.51385498046875	168.0
431.7495422363281	164.0
431.84466552734375	140.0
432.6888122558594	140.0
433.4990234375	204.0
434.6237487792969	136.0
435.4042053222656	144.0
435.9656066894531	208.0
436.00299072265625	252.0
436.2357482910156	140.0
436.5384826660156	204.0
436.6598815917969	176.0
437.2922668457031	192.0
438.0000915527344	144.0
439.1706848144531	176.0
439.508544921875	164.0
439.6260681152344	168.0
440.7803039550781	108.0
441.1965637207031	240.0
441.2376708984375	96.0
441.9200744628906	176.0
442.1083679199219	152.0
442.4767150878906	140.0
442.50994873046875	132.0
443.0958251953125	184.0
443.3121032714844	144.0
444.1152038574219	196.0
444.83270263671875	144.0
444.98382568359375	172.0
445.9469299316406	148.0
446.17279052734375	224.0
446.8010559082031	172.0
447.4876403808594	96.0
449.61383056640625	128.0
449.7364807128906	148.0
450.0032653808594	184.0
451.1938171386719	148.0
451.56170654296875	148.0
451.59130859375	232.0
452.6093444824219	128.0
453.3840026855469	184.0
454.336181640625	144.0
454.9727478027344	184.0
455.3548889160156	168.0
455.8179626464844	156.0
455.9085998535156	192.0
456.3258056640625	156.0
456.3790283203125	148.0
456.8485412597656	140.0
456.97021484375	172.0
459.4625549316406	132.0
460.121337890625	164.0
460.39569091796875	156.0
460.46563720703125	140.0
460.642578125	180.0
460.9056396484375	160.0
461.0572204589844	180.0
461.63232421875	144.0
461.6878967285156	152.0
461.82476806640625	148.0
462.890380859375	204.0
464.1983642578125	116.0
464.48419189453125	172.0
464.85601806640625	108.0
465.3284912109375	136.0
465.3725891113281	160.0
465.4846496582031	160.0
465.66156005859375	136.0
466.1160888671875	188.0
466.23211669921875	160.0
466.4781799316406	112.0
467.0102844238281	148.0
467.1823425292969	164.0
467.6040344238281	140.0
468.49102783203125	192.0
468.707763671875	104.0
468.76458740234375	172.0
468.9559326171875	116.0
469.2193603515625	324.0
469.8680725097656	100.0
470.2224426269531	116.0
470.9094543457031	120.0
471.27374267578125	152.0
471.4120178222656	196.0
471.5503234863281	148.0
472.12530517578125	144.0
472.2320556640625	1060.0
472.29595947265625	104.0
472.8867492675781	196.0
473.0732727050781	124.0
473.23406982421875	516.0
473.6704406738281	148.0
473.7744140625	152.0
473.9115905761719	132.0
474.14404296875	176.0
474.2297668457031	276.0
474.667236328125	212.0
475.2041931152344	156.0
475.83587646484375	176.0
476.17742919921875	140.0
476.5596923828125	156.0
476.9638671875	204.0
477.3507995605469	144.0
477.40887451171875	108.0
478.36419677734375	108.0
479.6435546875	172.0
479.7672119140625	200.0
479.9051208496094	156.0
480.07305908203125	136.0
480.2329406738281	144.0
480.5216979980469	160.0
480.6133117675781	168.0
480.7193603515625	120.0
481.115234375	140.0
481.2593078613281	144.0
481.80523681640625	144.0
483.6024169921875	156.0
483.6593322753906	140.0
484.2942199707031	300.0
484.4579162597656	108.0
484.8255310058594	124.0
485.2845764160156	156.0
485.5476989746094	152.0
486.11798095703125	152.0
486.2438659667969	152.0
486.6929931640625	156.0
486.81353759765625	196.0
487.0750732421875	144.0
487.19775390625	212.0
487.9451904296875	140.0
488.15625	176.0
488.53448486328125	140.0
488.8600769042969	148.0
488.9877014160156	152.0
489.5657653808594	108.0
490.97589111328125	204.0
491.2833557128906	152.0
491.5613098144531	188.0
492.0821533203125	152.0
492.2350158691406	136.0
492.95672607421875	248.0
492.9920654296875	180.0
496.0428466796875	168.0
496.2385559082031	104.0
497.20269775390625	240.0
497.63861083984375	148.0
499.0025939941406	176.0
499.1162109375	164.0
499.9544677734375	176.0
501.7496643066406	108.0
501.8163757324219	156.0
502.1775817871094	184.0
502.5255432128906	168.0
502.6370849609375	152.0
502.7625427246094	104.0
503.31329345703125	184.0
503.89892578125	164.0
504.35198974609375	156.0
505.5192565917969	164.0
505.6199645996094	152.0
505.96368408203125	176.0
505.9981994628906	156.0
506.0611572265625	124.0
506.3519287109375	168.0
506.7685241699219	176.0
506.8626403808594	144.0
506.90460205078125	132.0
507.5574035644531	152.0
508.2840576171875	164.0
508.5516357421875	208.0
508.66552734375	208.0
508.9708251953125	144.0
509.159423828125	168.0
509.4835510253906	120.0
509.87158203125	100.0
509.96661376953125	184.0
510.5082702636719	228.0
510.6090393066406	136.0
510.9933776855469	140.0
511.1425476074219	212.0
511.88909912109375	180.0
512.7269897460938	160.0
513.588134765625	152.0
513.8452758789062	144.0
514.2415161132812	212.0
514.7118530273438	160.0
515.2382202148438	168.0
515.7056884765625	168.0
515.843505859375	172.0
516.2433471679688	100.0
516.2979736328125	144.0
516.3974609375	168.0
516.9334716796875	264.0
517.1967163085938	120.0
517.4036865234375	180.0
517.9302978515625	140.0
518.2521362304688	96.0
518.4961547851562	132.0
519.2420043945312	124.0
519.3505249023438	152.0
520.3216552734375	140.0
520.8005981445312	180.0
521.3969116210938	144.0
521.5557250976562	104.0
521.6481323242188	284.0
522.5849609375	140.0
522.66064453125	152.0
522.7578735351562	152.0
522.7943115234375	172.0
523.2357788085938	168.0
523.7139282226562	212.0
523.8565673828125	96.0
524.27197265625	116.0
525.6378173828125	200.0
526.3635864257812	216.0
526.760009765625	132.0
527.0076293945312	164.0
527.3411865234375	224.0
528.2548217773438	516.0
528.5484619140625	160.0
529.1192626953125	152.0
529.275634765625	108.0
529.4732055664062	176.0
529.6334838867188	164.0
529.751220703125	136.0
530.2640380859375	184.0
530.4806518554688	104.0
530.5224609375	180.0
530.6599731445312	164.0
530.9639892578125	136.0
532.486328125	212.0
532.9249877929688	120.0
533.138671875	160.0
533.3436279296875	120.0
533.4116821289062	168.0
533.7776489257812	176.0
534.9876708984375	180.0
535.1902465820312	284.0
535.2562255859375	264.0
535.3974609375	152.0
535.4884033203125	144.0
535.6461791992188	156.0
536.513671875	132.0
536.9090576171875	188.0
537.093505859375	192.0
537.7650146484375	120.0
538.393310546875	108.0
538.570556640625	244.0
538.6074829101562	144.0
538.67236328125	124.0
538.7346801757812	124.0
538.93798828125	156.0
538.9732055664062	128.0
539.2061157226562	100.0
539.4766235351562	152.0
539.9470825195312	108.0
540.0508422851562	132.0
540.130126953125	148.0
540.2567749023438	168.0
540.4468994140625	104.0
540.6716918945312	120.0
540.9461669921875	100.0
541.0781860351562	100.0
541.1514282226562	160.0
541.3177490234375	192.0
541.3797607421875	172.0
541.4374389648438	96.0
541.5323486328125	144.0
541.8107299804688	256.0
541.9387817382812	228.0
542.0413208007812	176.0
542.0840454101562	124.0
542.1300048828125	132.0
542.1846923828125	120.0
542.3414916992188	236.0
542.4244995117188	180.0
542.4739379882812	164.0
542.5125122070312	284.0
542.58740234375	128.0
542.66796875	160.0
542.7261962890625	324.0
542.8012084960938	124.0
542.8663940429688	148.0
543.0364379882812	216.0
543.21337890625	304.0
543.2994384765625	308.0
543.337646484375	304.0
543.3768310546875	172.0
543.4199829101562	116.0
543.5386352539062	136.0
543.6461181640625	168.0
543.7443237304688	220.0
543.844970703125	232.0
543.8895263671875	372.0
543.9215698242188	256.0
544.0152587890625	268.0
544.1312255859375	280.0
544.1831665039062	280.0
544.2535400390625	5188.0
544.3635864257812	208.0
544.4608154296875	232.0
544.498291015625	344.0
544.5885009765625	436.0
544.6295776367188	152.0
544.6795654296875	120.0
544.7284545898438	172.0
544.80029296875	280.0
544.8472900390625	272.0
544.9524536132812	536.0
545.0228271484375	120.0
545.06396484375	248.0
545.1520385742188	352.0
545.2550659179688	2264.0
545.4310302734375	356.0
545.4813842773438	296.0
545.5281982421875	384.0
545.5519409179688	264.0
545.6027221679688	540.0
545.621826171875	548.0
545.6392211914062	572.0
545.7015380859375	524.0
545.7572021484375	356.0
545.806396484375	420.0
545.8361206054688	456.0
545.8788452148438	404.0
545.9462890625	708.0
546.006591796875	448.0
546.0549926757812	468.0
546.1547241210938	1264.0
546.2726440429688	250916.0
546.4400024414062	180.0
546.5972290039062	176.0
546.7070922851562	2296.0
546.7787475585938	756.0
546.853759765625	812.0
546.968017578125	324.0
547.0519409179688	13524.0
547.1055908203125	1672.0
547.2752075195312	209724.0
547.4021606445312	344.0
547.4375	212.0
547.4666137695312	268.0
547.5673828125	192.0
547.7091674804688	200.0
547.7659301757812	664.0
547.836669921875	416.0
547.9708251953125	268.0
548.0513305664062	392.0
548.1268920898438	492.0
548.1815185546875	364.0
548.2764892578125	70776.0
548.4471435546875	236.0
548.5494995117188	228.0
548.60009765625	192.0
548.7099609375	352.0
548.752197265625	208.0
548.8334350585938	196.0
548.885986328125	304.0
548.924560546875	168.0
548.9854736328125	196.0
549.0269775390625	112.0
549.0768432617188	180.0
549.1970825195312	204.0
549.279052734375	7360.0
549.5554809570312	460.0
549.6597290039062	300.0
549.76025390625	176.0
549.8367919921875	280.0
549.9525756835938	160.0
550.0266723632812	432.0
550.122802734375	268.0
550.1585083007812	268.0
550.20361328125	220.0
550.2774658203125	852.0
550.327392578125	296.0
550.3650512695312	480.0
550.4683227539062	220.0
550.5597534179688	516.0
550.681884765625	412.0
550.75927734375	164.0
550.8002319335938	364.0
550.8792724609375	236.0
550.9443359375	144.0
551.00390625	180.0
551.0928344726562	188.0
551.1287231445312	152.0
551.2080078125	180.0
551.2418212890625	288.0
551.2881469726562	168.0
551.325439453125	232.0
551.426025390625	224.0
551.482666015625	324.0
551.5796508789062	256.0
551.6281127929688	164.0
551.7447509765625	232.0
551.7868041992188	228.0
551.9441528320312	268.0
552.067138671875	124.0
552.3212890625	132.0
552.387939453125	120.0
552.4332885742188	136.0
552.4765014648438	112.0
552.6087646484375	220.0
552.693359375	100.0
552.866943359375	108.0
553.0120849609375	108.0
553.157958984375	156.0
553.3416748046875	176.0
553.5357055664062	100.0
554.2862548828125	120.0
555.2645874023438	136.0
555.747314453125	100.0
556.0800170898438	124.0
556.9946899414062	96.0
558.8955688476562	120.0
559.2076416015625	156.0
559.8714599609375	204.0
560.0960693359375	116.0
560.6619262695312	96.0
562.527099609375	116.0
562.7686157226562	168.0
563.1851806640625	152.0
563.2608032226562	120.0
564.796142578125	164.0
564.8724365234375	128.0
565.18994140625	104.0
565.5631713867188	140.0
566.0982055664062	108.0
566.9176635742188	124.0
568.4039306640625	148.0
568.4640502929688	148.0
574.6016845703125	104.0
582.5242309570312	112.0
595.2481689453125	144.0
667.6677856445312	156.0
708.0393676757812	164.0
710.976318359375	144.0
715.3448486328125	96.0
725.2217407226562	160.0
729.9083862304688	140.0
764.4193115234375	96.0
787.3648681640625	144.0
790.8081665039062	132.0
795.5059814453125	160.0
801.1541748046875	104.0
827.49853515625	144.0
828.85205078125	120.0
894.0360107421875	160.0
896.90673828125	148.0
931.151123046875	96.0
954.0877685546875	140.0
958.1680297851562	148.0
1065.1943359375	116.0
1072.40087890625	160.0
1091.986083984375	208.0
1143.381591796875	152.0
1174.091796875	140.0
1238.974609375	96.0
1257.4249267578125	140.0
1298.5054931640625	160.0
1317.7017822265625	112.0
1363.23046875	160.0
1375.020751953125	176.0
1464.438232421875	164.0
1479.947998046875	160.0
1498.0189208984375	160.0
1506.9757080078125	188.0
1518.517578125	168.0
1555.29052734375	180.0
1567.110107421875	208.0
1567.906005859375	164.0
1568.7098388671875	188.0
1597.3121337890625	156.0
1649.5799560546875	140.0
1660.5189208984375	152.0
1676.8524169921875	148.0
1694.986328125	176.0
1703.0260009765625	156.0
1710.9693603515625	172.0
1723.39013671875	148.0
1733.1121826171875	216.0
1735.043212890625	244.0
1741.5738525390625	164.0
1750.0894775390625	184.0
1752.0216064453125	164.0
1764.0301513671875	140.0
1770.1461181640625	176.0
1779.167724609375	260.0
1789.1466064453125	168.0
1789.2728271484375	144.0
1811.0001220703125	160.0
1812.889404296875	156.0
1813.7115478515625	152.0
1817.8841552734375	184.0
1820.3543701171875	172.0
1851.9776611328125	140.0
1853.442626953125	196.0
1855.4139404296875	164.0
1855.5167236328125	208.0
1855.98828125	172.0
1869.333251953125	144.0
1869.732666015625	176.0
1874.960205078125	184.0
1919.649658203125	172.0
1921.3592529296875	240.0
1928.27880859375	152.0
1951.7333984375	224.0
1953.3868408203125	272.0
1955.3929443359375	232.0
1971.982666015625	140.0
1975.372314453125	156.0
1994.460205078125	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079066
PEPMASS=363.184387
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_C2_D11_BD1_01_15723.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=SECOISOLARICIRESINOL [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O
INCHI=InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
INCHIAUX=PUETUDUXMCLALY-HOTGVXAUSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079066
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079066
SCANS=1098
46.49903106689453	164.0
89.89779663085938	204.0
91.9626693725586	188.0
92.77179718017578	180.0
94.30207824707031	180.0
109.3319091796875	228.0
117.0716781616211	140.0
121.06792449951172	252.0
122.03836059570312	276.0
123.04544067382812	156.0
125.68667602539062	172.0
129.07176208496094	160.0
131.04544067382812	404.0
133.06527709960938	372.0
133.0935516357422	140.0
134.06658935546875	196.0
135.0788116455078	356.0
136.68563842773438	152.0
137.0602264404297	4988.0
137.1327667236328	156.0
138.0630340576172	356.0
145.06629943847656	144.0
146.1011505126953	160.0
151.07481384277344	800.0
155.0609893798828	156.0
157.06248474121094	148.0
163.07708740234375	912.0
164.08705139160156	256.0
171.08404541015625	144.0
173.0601348876953	136.0
174.09332275390625	192.0
175.0793914794922	184.0
176.07064819335938	160.0
176.08912658691406	176.0
177.09226989746094	228.0
188.0789794921875	156.0
189.08949279785156	272.0
190.09600830078125	168.0
191.09898376464844	160.0
194.0888671875	156.0
201.0756378173828	188.0
203.1094207763672	152.0
204.08970642089844	160.0
204.1207275390625	132.0
205.1143798828125	180.0
206.0963134765625	160.0
207.1182403564453	184.0
215.68865966796875	176.0
217.1041717529297	152.0
219.0838165283203	152.0
220.12200927734375	156.0
221.11825561523438	344.0
226.96603393554688	192.0
237.1157989501953	176.0
245.09811401367188	232.0
247.07513427734375	184.0
253.08908081054688	156.0
263.12738037109375	112.0
273.1172180175781	144.0
295.1357421875	1408.0
296.1337585449219	356.0
305.96807861328125	160.0
322.09197998046875	192.0
325.142578125	120.0
327.1605529785156	944.0
328.1628723144531	268.0
345.1657409667969	172.0
361.19964599609375	148.0
361.23223876953125	156.0
362.0777282714844	164.0
362.1120910644531	252.0
1674.0108642578125	172.0
1686.17431640625	208.0
1784.05859375	200.0
1934.0491943359375	208.0
1942.79443359375	172.0
1994.84423828125	196.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079067
PEPMASS=298.13028
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_C2_D11_BD1_01_15723.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=duloxetine hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CNCC[C@H](Oc1cccc2ccccc12)c3cccs3
INCHI=InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
INCHIAUX=ZEUITGRIYCTCEM-KRWDZBQOSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079067
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079067
SCANS=1191
45.17707443237305	232.0
46.3010139465332	224.0
46.79120635986328	160.0
48.912723541259766	148.0
52.614681243896484	144.0
59.664878845214844	172.0
63.71150588989258	140.0
66.52684020996094	156.0
68.94119262695312	232.0
95.06690216064453	144.0
98.02369689941406	188.0
99.7475357055664	148.0
100.02204132080078	176.0
103.05432891845703	148.0
105.82660675048828	192.0
108.67924499511719	200.0
110.09857177734375	272.0
110.73258972167969	176.0
111.46263122558594	156.0
112.03382873535156	328.0
118.32921600341797	180.0
119.23157501220703	172.0
119.87572479248047	172.0
120.41020202636719	148.0
123.02728271484375	896.0
124.0342788696289	1428.0
125.03645324707031	284.0
126.03038024902344	148.0
127.05305480957031	228.0
128.0618896484375	544.0
129.0691680908203	460.0
139.96482849121094	148.0
143.00450134277344	172.0
144.04649353027344	172.0
145.05868530273438	148.0
152.48655700683594	164.0
153.06712341308594	452.0
154.0687713623047	3628.0
154.1233367919922	160.0
155.0762176513672	2612.0
155.33079528808594	104.0
156.0708770751953	408.0
157.06468200683594	1252.0
163.11578369140625	172.0
165.07118225097656	492.0
166.83782958984375	148.0
167.10528564453125	216.0
167.35494995117188	144.0
168.9344024658203	148.0
168.95509338378906	192.0
180.95005798339844	212.0
183.08070373535156	1080.0
184.07933044433594	308.0
187.10548400878906	188.0
188.11141967773438	252.0
191.10134887695312	172.0
194.91986083984375	144.0
205.08290100097656	156.0
206.07025146484375	212.0
207.07144165039062	164.0
208.396728515625	144.0
209.3258056640625	156.0
218.95974731445312	160.0
219.0771026611328	204.0
221.04318237304688	268.0
222.04519653320312	204.0
223.06658935546875	244.0
229.48529052734375	176.0
229.51846313476562	152.0
237.03671264648438	100.0
238.5119171142578	240.0
239.0531463623047	380.0
239.48728942871094	184.0
240.05458068847656	112.0
241.0481719970703	156.0
241.07061767578125	240.0
244.05810546875	148.0
251.94375610351562	228.0
255.20498657226562	160.0
258.93536376953125	252.0
262.97027587890625	236.0
266.2596435546875	148.0
267.0834655761719	2004.0
268.08331298828125	348.0
269.08941650390625	140.0
270.18414306640625	148.0
275.2622375488281	176.0
279.2430725097656	192.0
280.584228515625	168.0
281.9327392578125	172.0
296.38983154296875	140.0
297.0771179199219	120.0
297.1958312988281	1396.0
297.5731506347656	152.0
298.0505676269531	188.0
298.12579345703125	9400.0
298.2018737792969	292.0
298.6326599121094	136.0
299.1281433105469	1468.0
300.1243896484375	700.0
300.1579895019531	200.0
300.20196533203125	216.0
300.79656982421875	140.0
301.1252746582031	96.0
301.19708251953125	156.0
394.9400329589844	164.0
411.7835388183594	168.0
1492.5380859375	156.0
1526.6475830078125	172.0
1556.7574462890625	172.0
1620.3099365234375	148.0
1626.1153564453125	208.0
1907.4420166015625	172.0
1969.7369384765625	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079068
PEPMASS=191.120499
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_C2_D11_BD1_01_15723.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=2-(5-methoxy-1H-indol-3-yl)ethanamine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccc2[nH]cc(CCN)c2c1
INCHI=InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
INCHIAUX=JTEJPPKMYBDEMY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079068
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079068
SCANS=1004
44.98337936401367	160.0
45.649269104003906	152.0
45.783843994140625	180.0
45.86198425292969	168.0
46.73684310913086	184.0
46.80081558227539	172.0
47.26079559326172	228.0
47.36210250854492	208.0
47.746402740478516	176.0
48.252464294433594	236.0
48.60858154296875	192.0
48.85018539428711	152.0
48.98660659790039	204.0
49.436187744140625	176.0
49.79929733276367	148.0
50.24835205078125	144.0
50.54082107543945	208.0
50.855430603027344	248.0
51.06428527832031	200.0
51.54757308959961	144.0
52.824310302734375	224.0
52.863372802734375	204.0
54.4715690612793	164.0
54.51123809814453	140.0
54.901344299316406	188.0
54.91461944580078	196.0
55.10652160644531	208.0
55.27804183959961	164.0
55.328369140625	204.0
56.363555908203125	220.0
57.20494079589844	236.0
58.037391662597656	140.0
59.43281936645508	128.0
59.631160736083984	144.0
59.79572677612305	164.0
60.20890426635742	144.0
60.26760482788086	208.0
60.67155456542969	188.0
62.11404037475586	156.0
62.2961311340332	180.0
62.82665252685547	164.0
63.48305130004883	148.0
64.50841522216797	160.0
64.60595703125	236.0
65.69353485107422	184.0
66.09745025634766	200.0
66.22160339355469	196.0
66.3938980102539	208.0
67.06047821044922	140.0
67.22682189941406	212.0
67.40318298339844	164.0
67.68780517578125	156.0
69.74845123291016	188.0
70.10462188720703	140.0
70.12962341308594	184.0
70.37317657470703	144.0
70.7074966430664	168.0
73.63417053222656	196.0
74.82349395751953	124.0
76.03419494628906	176.0
76.39038848876953	152.0
77.25389099121094	156.0
77.42192077636719	144.0
77.90778350830078	176.0
78.11581420898438	140.0
82.16476440429688	148.0
83.02938842773438	232.0
83.47067260742188	208.0
83.7472915649414	168.0
84.55428314208984	200.0
85.54912567138672	196.0
86.16323852539062	140.0
86.55719757080078	196.0
86.65165710449219	192.0
86.75358581542969	188.0
86.77397918701172	156.0
88.47869110107422	168.0
88.96047973632812	172.0
89.21784973144531	152.0
89.77140808105469	140.0
90.09793853759766	180.0
90.580322265625	164.0
91.1171875	140.0
91.38906860351562	168.0
91.55467224121094	220.0
91.78334045410156	180.0
92.09440612792969	192.0
92.31036376953125	168.0
92.98278045654297	144.0
93.2804946899414	144.0
93.50523376464844	128.0
93.60371398925781	248.0
94.81688690185547	156.0
95.08064270019531	156.0
95.99314880371094	180.0
97.16854858398438	144.0
98.01991271972656	160.0
98.3611068725586	168.0
98.49340057373047	160.0
99.41204833984375	228.0
100.07794189453125	156.0
100.1894760131836	188.0
100.4665756225586	164.0
101.89399719238281	152.0
102.39285278320312	172.0
103.0545654296875	172.0
103.57846069335938	196.0
104.0600357055664	324.0
104.5489501953125	152.0
105.03589630126953	184.0
105.05674743652344	180.0
105.51988220214844	148.0
105.89230346679688	168.0
105.95170593261719	144.0
106.05621337890625	188.0
106.23871612548828	176.0
106.38236236572266	156.0
106.5754165649414	176.0
106.7624740600586	208.0
107.0508041381836	144.0
107.0691146850586	140.0
108.04544067382812	156.0
108.0619888305664	192.0
108.63793182373047	156.0
108.76866149902344	152.0
108.8226318359375	188.0
109.02619934082031	204.0
109.04698181152344	144.0
110.9129638671875	176.0
112.0624771118164	176.0
113.17768859863281	168.0
114.49852752685547	200.0
114.54751586914062	216.0
115.05394744873047	920.0
116.05619049072266	316.0
116.96937561035156	348.0
117.06735229492188	336.0
117.87519073486328	148.0
118.06221008300781	292.0
118.45067596435547	176.0
118.7432861328125	168.0
118.83222198486328	152.0
119.07402038574219	232.0
119.13399505615234	140.0
119.4448471069336	156.0
119.48617553710938	196.0
121.05115509033203	160.0
121.06649017333984	212.0
121.55313873291016	160.0
121.96894836425781	184.0
122.49851989746094	256.0
122.93065643310547	180.0
123.48271942138672	184.0
123.62675476074219	148.0
123.79942321777344	220.0
124.28266143798828	168.0
125.24971771240234	156.0
125.27867126464844	224.0
125.66659545898438	140.0
126.19345092773438	188.0
127.05193328857422	188.0
128.05172729492188	352.0
128.0685577392578	140.0
128.20492553710938	184.0
128.76893615722656	168.0
129.056640625	136.0
129.2323455810547	156.0
129.46096801757812	216.0
130.02772521972656	140.0
130.06552124023438	9336.0
130.1160888671875	120.0
130.354736328125	176.0
130.72312927246094	148.0
131.010009765625	156.0
131.04771423339844	376.0
131.07321166992188	14080.0
131.54676818847656	116.0
132.04336547851562	516.0
132.05010986328125	240.0
132.07672119140625	1068.0
132.1217803955078	144.0
132.16859436035156	140.0
133.05653381347656	164.0
133.0851287841797	260.0
133.6613006591797	172.0
133.9744110107422	164.0
134.0066680908203	144.0
134.05722045898438	176.0
134.798095703125	236.0
136.0697021484375	152.0
136.15097045898438	156.0
136.65771484375	156.0
136.732177734375	220.0
137.0458221435547	156.0
137.6927032470703	220.0
137.96141052246094	200.0
138.04791259765625	180.0
138.99661254882812	184.0
139.2666015625	176.0
140.0451202392578	148.0
141.0588836669922	224.0
141.12356567382812	160.0
141.54946899414062	168.0
142.03294372558594	152.0
142.06546020507812	1448.0
142.09225463867188	192.0
142.66697692871094	188.0
142.7692108154297	172.0
143.07322692871094	8168.0
144.07974243164062	1812.0
144.10772705078125	112.0
144.49615478515625	172.0
144.75465393066406	156.0
144.97984313964844	160.0
145.08253479003906	296.0
145.3539276123047	168.0
146.06390380859375	192.0
146.09152221679688	164.0
147.0775909423828	1012.0
147.18812561035156	168.0
147.8432159423828	180.0
148.0753631591797	300.0
149.29148864746094	232.0
149.80747985839844	204.0
149.82940673828125	144.0
149.9683074951172	184.0
150.07313537597656	184.0
151.0402069091797	140.0
151.95199584960938	160.0
152.5570831298828	156.0
153.72801208496094	144.0
154.05886840820312	164.0
154.54095458984375	152.0
154.9767303466797	160.0
154.9940643310547	232.0
155.15020751953125	164.0
156.96401977539062	156.0
157.074951171875	148.0
157.7666778564453	168.0
158.06048583984375	2056.0
158.55010986328125	152.0
158.56765747070312	172.0
158.97174072265625	156.0
159.03765869140625	160.0
159.06813049316406	17772.0
159.12452697753906	184.0
159.20703125	112.0
160.07240295410156	1656.0
160.69248962402344	180.0
160.7101593017578	180.0
160.88177490234375	216.0
161.07675170898438	524.0
161.3011016845703	144.0
161.53121948242188	144.0
162.09060668945312	860.0
162.66136169433594	148.0
163.70631408691406	264.0
164.63711547851562	152.0
164.79293823242188	156.0
165.11502075195312	172.0
166.1241912841797	220.0
166.95379638671875	180.0
167.18275451660156	140.0
168.41253662109375	140.0
169.9294891357422	192.0
172.1132354736328	140.0
172.5521697998047	196.0
172.72476196289062	212.0
173.08250427246094	824.0
173.15139770507812	144.0
173.35311889648438	220.0
173.4961700439453	172.0
173.8170166015625	272.0
173.8618621826172	208.0
173.96766662597656	204.0
173.9846954345703	316.0
174.0054931640625	228.0
174.02308654785156	224.0
174.0928192138672	110104.0
174.2790985107422	120.0
174.3169403076172	140.0
174.33981323242188	148.0
174.40858459472656	360.0
174.44509887695312	104.0
174.52415466308594	1156.0
174.6995391845703	136.0
175.0948486328125	14896.0
175.13462829589844	428.0
175.21749877929688	140.0
175.4149169921875	128.0
175.8747100830078	104.0
176.09671020507812	608.0
176.3108673095703	132.0
176.3684844970703	104.0
176.411376953125	96.0
176.43650817871094	128.0
176.45274353027344	276.0
176.5936279296875	212.0
176.94058227539062	140.0
177.50228881835938	144.0
190.02740478515625	216.0
191.11878967285156	276.0
193.1292724609375	168.0
215.3672332763672	156.0
882.026611328125	140.0
925.0501708984375	212.0
966.3864135742188	140.0
1075.99609375	216.0
1082.9930419921875	200.0
1194.33154296875	308.0
1232.873779296875	228.0
1247.1219482421875	156.0
1299.0589599609375	172.0
1299.7979736328125	188.0
1333.9742431640625	200.0
1354.45703125	176.0
1405.4324951171875	140.0
1457.9954833984375	224.0
1465.5059814453125	156.0
1471.34814453125	152.0
1480.960205078125	156.0
1498.10498046875	172.0
1508.04345703125	144.0
1541.359619140625	148.0
1547.87548828125	200.0
1562.497802734375	196.0
1605.4693603515625	148.0
1650.583984375	152.0
1653.19677734375	176.0
1657.285888671875	176.0
1664.058349609375	208.0
1664.2369384765625	144.0
1685.046630859375	200.0
1698.0126953125	164.0
1699.5631103515625	204.0
1712.4036865234375	212.0
1721.1285400390625	156.0
1726.5162353515625	148.0
1739.31689453125	176.0
1741.9481201171875	156.0
1745.1488037109375	140.0
1749.458251953125	144.0
1757.484130859375	216.0
1758.5606689453125	176.0
1760.2303466796875	164.0
1761.8590087890625	176.0
1768.314208984375	180.0
1780.1851806640625	140.0
1794.1353759765625	140.0
1795.864013671875	144.0
1821.0609130859375	180.0
1826.381591796875	256.0
1838.3858642578125	156.0
1858.33154296875	216.0
1861.490234375	188.0
1868.97705078125	240.0
1870.982421875	144.0
1874.5654296875	140.0
1877.4964599609375	168.0
1877.85009765625	204.0
1903.466064453125	188.0
1905.0032958984375	184.0
1912.4378662109375	144.0
1913.151611328125	144.0
1914.031005859375	160.0
1917.759521484375	184.0
1918.9364013671875	244.0
1922.65234375	264.0
1929.901611328125	192.0
1940.3125	160.0
1943.750732421875	140.0
1947.35009765625	188.0
1961.16357421875	188.0
1961.904052734375	188.0
1964.9466552734375	216.0
1966.8880615234375	156.0
1967.7001953125	176.0
1969.9609375	204.0
1992.400390625	240.0
1994.2930908203125	200.0
1995.3331298828125	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079069
PEPMASS=232.159698
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_C2_D11_BD1_01_15723.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Guanidine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCC(C)(C)NC(=NC#N)Nc1cccnc1
INCHI=InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)
INCHIAUX=HKZNADVVGXKQDL-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079069
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079069
SCANS=1071
45.10494613647461	172.0
45.21863555908203	152.0
45.40352249145508	160.0
45.47597122192383	236.0
45.49961853027344	188.0
45.66407012939453	192.0
45.71923065185547	188.0
45.809444427490234	264.0
45.93480682373047	164.0
45.948299407958984	168.0
46.325477600097656	192.0
46.515323638916016	200.0
46.62942123413086	172.0
46.958900451660156	196.0
47.051692962646484	164.0
47.30730056762695	152.0
47.672176361083984	152.0
47.732662200927734	160.0
47.94603729248047	232.0
47.955684661865234	220.0
48.03841781616211	284.0
48.071533203125	168.0
48.16679763793945	176.0
48.224830627441406	180.0
48.50581359863281	140.0
49.08278274536133	212.0
49.098121643066406	176.0
49.26422119140625	196.0
49.84707260131836	140.0
50.07215881347656	184.0
50.10596466064453	196.0
50.14683151245117	192.0
50.38094711303711	212.0
50.40932846069336	172.0
50.5776252746582	208.0
50.783077239990234	140.0
50.84834289550781	212.0
51.00600051879883	156.0
51.644798278808594	144.0
51.72779083251953	160.0
51.747833251953125	196.0
51.762149810791016	180.0
51.86243438720703	160.0
51.90974426269531	160.0
51.9714241027832	156.0
52.05180740356445	156.0
52.142311096191406	160.0
52.466182708740234	200.0
53.057472229003906	152.0
53.305667877197266	180.0
53.376895904541016	168.0
53.63312530517578	164.0
53.68124008178711	152.0
53.87828063964844	148.0
54.07861328125	156.0
54.21335220336914	224.0
54.249996185302734	196.0
54.261722564697266	232.0
54.30278396606445	148.0
54.57445526123047	160.0
54.69803237915039	156.0
54.98987579345703	152.0
55.454288482666016	152.0
55.74665451049805	180.0
56.24110794067383	172.0
56.45624923706055	168.0
56.86825180053711	204.0
57.16581726074219	208.0
57.43399429321289	204.0
57.85256576538086	268.0
57.87073516845703	196.0
57.91767883300781	244.0
57.94040298461914	208.0
58.01011276245117	192.0
58.041954040527344	184.0
58.08290100097656	140.0
58.34713363647461	160.0
58.42164993286133	152.0
58.98434829711914	156.0
59.350242614746094	144.0
59.804969787597656	144.0
59.881954193115234	196.0
60.08543014526367	148.0
60.33871078491211	160.0
60.385101318359375	156.0
60.62041473388672	140.0
60.86550521850586	140.0
60.918312072753906	152.0
61.52409744262695	140.0
61.57562255859375	180.0
61.92909622192383	248.0
61.987060546875	196.0
62.117191314697266	172.0
62.351139068603516	156.0
62.579227447509766	140.0
62.7943115234375	204.0
62.844017028808594	176.0
63.051692962646484	272.0
63.08249282836914	140.0
63.414894104003906	152.0
63.44093322753906	168.0
63.685367584228516	140.0
64.05886840820312	184.0
64.08953094482422	148.0
64.10621643066406	144.0
64.17794799804688	144.0
64.26567077636719	212.0
64.32951354980469	176.0
64.6363754272461	148.0
64.82372283935547	176.0
64.9920883178711	168.0
65.20245361328125	156.0
65.22840118408203	140.0
65.31178283691406	224.0
65.3745346069336	180.0
65.6193618774414	148.0
65.68386840820312	148.0
65.72904205322266	144.0
65.74517822265625	156.0
65.78069305419922	160.0
66.07966613769531	140.0
66.20106506347656	128.0
66.28367614746094	176.0
66.31771087646484	160.0
66.4182357788086	164.0
66.45323181152344	140.0
66.47816467285156	188.0
66.8715591430664	180.0
67.73040008544922	156.0
67.90741729736328	168.0
68.03376770019531	148.0
68.1982421875	152.0
68.40692901611328	172.0
68.67881774902344	180.0
68.701904296875	156.0
69.11244201660156	176.0
69.39486694335938	268.0
69.41476440429688	168.0
69.44129943847656	164.0
69.63216400146484	188.0
69.80332946777344	168.0
69.84657287597656	168.0
69.92976379394531	148.0
70.43665313720703	156.0
70.63389587402344	164.0
70.66065979003906	160.0
70.93195343017578	152.0
71.05269622802734	212.0
71.34658813476562	196.0
71.78604125976562	168.0
72.57401275634766	152.0
73.03763580322266	156.0
73.0733642578125	172.0
73.09378051757812	140.0
73.13803100585938	164.0
73.2708511352539	148.0
73.37822723388672	184.0
73.61881256103516	204.0
73.7589111328125	168.0
73.79309844970703	172.0
74.35839080810547	172.0
75.01544189453125	176.0
75.03958129882812	184.0
75.07061767578125	172.0
75.22762298583984	164.0
75.8122329711914	212.0
76.18701171875	228.0
76.25304412841797	164.0
76.34344482421875	168.0
76.39643096923828	156.0
76.5365982055664	152.0
76.54878997802734	140.0
76.94807434082031	152.0
76.97950744628906	176.0
77.12625885009766	184.0
78.11698913574219	160.0
78.14513397216797	164.0
78.50788116455078	188.0
78.65972900390625	140.0
78.80631256103516	168.0
79.41705322265625	152.0
79.50043487548828	184.0
80.09247589111328	212.0
80.11029052734375	200.0
80.58306121826172	160.0
81.06079864501953	140.0
81.10560607910156	144.0
81.8079605102539	152.0
81.82595825195312	144.0
81.8871841430664	172.0
81.94483184814453	152.0
82.22793579101562	184.0
82.38447570800781	248.0
82.50972747802734	176.0
82.67794799804688	240.0
82.696044921875	212.0
82.75102996826172	160.0
83.0293197631836	176.0
83.1854476928711	188.0
83.21630859375	152.0
83.57618713378906	220.0
83.64716339111328	144.0
83.82746887207031	192.0
83.84933471679688	168.0
84.23477172851562	212.0
84.42707824707031	200.0
84.44269561767578	192.0
84.47379302978516	216.0
84.81071472167969	172.0
84.92989349365234	188.0
85.11708068847656	160.0
85.56303405761719	220.0
85.6614761352539	188.0
85.88082122802734	184.0
86.68895721435547	148.0
86.74433898925781	156.0
86.82341003417969	216.0
86.85188293457031	148.0
87.0605697631836	172.0
87.20838165283203	240.0
87.2372817993164	152.0
87.52738189697266	172.0
87.75008392333984	224.0
88.30655670166016	220.0
88.39448547363281	156.0
88.59107208251953	204.0
88.90794372558594	164.0
90.51973724365234	148.0
90.98616027832031	168.0
91.0279312133789	324.0
91.57945251464844	224.0
91.6747055053711	196.0
92.26067352294922	216.0
92.82933044433594	184.0
93.0442886352539	2120.0
93.09222412109375	172.0
93.40934753417969	184.0
93.43782806396484	164.0
94.64837646484375	148.0
95.06149291992188	752.0
95.29393768310547	200.0
95.47625732421875	228.0
95.56840515136719	168.0
95.74554443359375	176.0
96.0613021850586	152.0
96.13739013671875	204.0
96.46160888671875	216.0
96.49288940429688	196.0
96.71785736083984	224.0
96.84904479980469	144.0
97.00521850585938	152.0
97.08226776123047	188.0
97.17249298095703	152.0
97.49845123291016	208.0
97.82691955566406	196.0
97.99629211425781	204.0
98.88887023925781	240.0
99.2268295288086	164.0
99.336669921875	172.0
99.40214538574219	172.0
99.52322387695312	188.0
100.02421569824219	156.0
100.15762329101562	152.0
100.27118682861328	188.0
100.47058868408203	196.0
100.51847076416016	160.0
100.79403686523438	196.0
100.9759521484375	152.0
101.10799407958984	164.0
101.37601470947266	244.0
101.41241455078125	180.0
101.50712585449219	164.0
101.54473876953125	168.0
101.76145935058594	168.0
102.09300994873047	140.0
102.41502380371094	152.0
102.44927215576172	156.0
102.47142791748047	156.0
103.03375244140625	188.0
103.04480743408203	248.0
103.26272583007812	192.0
103.83183288574219	172.0
104.02767944335938	220.0
104.4777603149414	140.0
104.5611801147461	152.0
105.04312896728516	188.0
105.13793182373047	212.0
105.53626251220703	176.0
105.9496841430664	156.0
106.03984069824219	152.0
106.5631103515625	152.0
106.6370849609375	184.0
106.72137451171875	152.0
106.86946105957031	164.0
107.04142761230469	164.0
107.08030700683594	244.0
107.13298797607422	224.0
107.58873748779297	224.0
107.6155776977539	140.0
108.05511474609375	136.0
108.18412017822266	220.0
108.35600280761719	172.0
108.59024047851562	160.0
108.62342834472656	232.0
108.66077423095703	176.0
109.10668182373047	192.0
109.44017028808594	180.0
109.53861236572266	208.0
109.68898010253906	224.0
109.78607940673828	168.0
109.85490417480469	144.0
109.96966552734375	164.0
110.27669525146484	148.0
110.29550170898438	192.0
110.34358215332031	184.0
110.40631103515625	156.0
110.45023345947266	224.0
110.50299072265625	164.0
111.05650329589844	288.0
111.23601531982422	184.0
111.58474731445312	232.0
111.97402954101562	176.0
112.00983428955078	160.0
112.13414764404297	144.0
112.2037124633789	140.0
112.94068908691406	212.0
113.03377532958984	156.0
113.08245086669922	168.0
113.15653991699219	152.0
113.63128662109375	216.0
113.73314666748047	148.0
114.15734100341797	168.0
114.26094055175781	172.0
114.81609344482422	224.0
114.85234832763672	184.0
115.53923034667969	160.0
115.6322021484375	152.0
115.76493835449219	148.0
115.88703155517578	168.0
115.91488647460938	168.0
116.1893310546875	160.0
116.72413635253906	140.0
116.91128540039062	160.0
117.24723815917969	168.0
117.39598846435547	196.0
117.71752166748047	172.0
117.82551574707031	172.0
117.89767456054688	232.0
118.00057220458984	156.0
118.04010772705078	3716.0
118.06544494628906	228.0
118.34458923339844	228.0
118.38789367675781	220.0
118.65657806396484	144.0
118.83876037597656	192.0
119.04220581054688	252.0
119.07537078857422	156.0
119.46227264404297	188.0
119.73652648925781	152.0
119.89773559570312	168.0
119.92388916015625	144.0
119.95222473144531	296.0
119.96985626220703	140.0
120.01287078857422	132.0
120.05663299560547	88544.0
120.10916900634766	100.0
120.13860321044922	152.0
120.20809173583984	152.0
120.33068084716797	156.0
120.37385559082031	152.0
120.41500854492188	144.0
120.90037536621094	108.0
121.05773162841797	4124.0
121.71998596191406	156.0
121.7833251953125	100.0
121.83639526367188	196.0
121.86450958251953	112.0
121.92648315429688	152.0
121.94486999511719	164.0
122.03773498535156	120.0
122.06063079833984	156.0
122.0969467163086	196.0
122.19694519042969	156.0
122.21675109863281	156.0
122.55802917480469	156.0
122.61174011230469	176.0
122.66161346435547	144.0
123.15702819824219	176.0
123.17796325683594	156.0
123.26190948486328	160.0
123.33705139160156	160.0
124.03651428222656	148.0
124.89823150634766	200.0
125.00484466552734	180.0
125.7056884765625	104.0
125.82508087158203	156.0
126.55393981933594	164.0
127.2557144165039	212.0
128.19593811035156	224.0
128.40785217285156	256.0
128.8525390625	148.0
128.90789794921875	128.0
129.3613739013672	192.0
129.43382263183594	152.0
129.710205078125	140.0
130.6457977294922	144.0
131.04025268554688	200.0
131.66693115234375	188.0
131.97999572753906	160.0
132.36669921875	148.0
133.0502471923828	184.0
133.1426239013672	232.0
133.26583862304688	144.0
133.32559204101562	204.0
133.69583129882812	240.0
133.81784057617188	256.0
133.92376708984375	144.0
134.08042907714844	164.0
134.14703369140625	156.0
134.17724609375	176.0
134.43096923828125	176.0
134.6248779296875	180.0
134.84896850585938	148.0
135.0154266357422	164.0
135.06700134277344	14564.0
135.33773803710938	168.0
135.43096923828125	100.0
135.56639099121094	224.0
135.59976196289062	132.0
135.89102172851562	172.0
135.96881103515625	176.0
136.04983520507812	1104.0
136.0723419189453	692.0
136.3438262939453	144.0
136.82997131347656	180.0
137.0162811279297	140.0
137.0687713623047	128.0
137.3589630126953	216.0
138.1812744140625	156.0
138.3240203857422	140.0
138.40127563476562	156.0
138.77902221679688	144.0
138.92391967773438	232.0
139.01072692871094	184.0
139.19851684570312	176.0
140.35858154296875	168.0
141.05267333984375	164.0
141.55661010742188	240.0
142.2251739501953	140.0
142.24179077148438	172.0
142.3889923095703	152.0
142.5434112548828	140.0
142.7145538330078	208.0
143.0833282470703	172.0
143.10475158691406	188.0
143.74354553222656	184.0
143.92495727539062	176.0
143.96444702148438	148.0
144.57754516601562	208.0
144.7594757080078	144.0
144.87203979492188	148.0
144.90277099609375	228.0
144.9237518310547	152.0
144.96775817871094	160.0
145.00735473632812	220.0
145.0517578125	132920.0
145.273681640625	184.0
145.31326293945312	104.0
145.4229736328125	204.0
145.44671630859375	144.0
145.4883575439453	184.0
145.85829162597656	168.0
145.87704467773438	180.0
145.91358947753906	176.0
145.946044921875	176.0
146.01145935058594	152.0
146.05429077148438	9996.0
146.08399963378906	248.0
146.2672119140625	204.0
146.66537475585938	252.0
146.86700439453125	104.0
146.97694396972656	104.0
147.05392456054688	384.0
147.1781463623047	140.0
147.2520294189453	116.0
147.44805908203125	196.0
147.94248962402344	152.0
148.30825805664062	184.0
148.3426055908203	164.0
148.46360778808594	104.0
148.5895538330078	184.0
148.69631958007812	224.0
149.11648559570312	144.0
149.235595703125	172.0
149.3474578857422	184.0
149.684326171875	152.0
150.24632263183594	188.0
151.2604522705078	168.0
151.41226196289062	168.0
151.45262145996094	168.0
151.71363830566406	168.0
154.5855255126953	212.0
154.669677734375	168.0
155.00401306152344	204.0
155.04295349121094	168.0
155.44973754882812	160.0
155.54714965820312	152.0
155.88243103027344	168.0
156.3474578857422	180.0
156.6437530517578	192.0
156.98020935058594	296.0
157.42190551757812	172.0
157.51181030273438	140.0
157.6167449951172	192.0
158.7615966796875	184.0
159.32546997070312	232.0
159.8534698486328	176.0
160.63955688476562	140.0
160.66477966308594	176.0
161.0459442138672	168.0
161.1559600830078	268.0
161.29356384277344	148.0
161.3682861328125	128.0
161.44271850585938	196.0
161.53175354003906	260.0
161.58184814453125	144.0
161.60208129882812	172.0
161.62954711914062	132.0
161.65521240234375	160.0
161.6796112060547	144.0
161.7047576904297	120.0
161.76072692871094	136.0
161.81068420410156	160.0
161.8323974609375	208.0
161.93222045898438	124.0
161.95387268066406	120.0
162.00347900390625	160.0
162.03248596191406	224.0
162.07952880859375	193452.0
162.16395568847656	204.0
162.2195587158203	200.0
162.25482177734375	424.0
162.3002166748047	392.0
162.36334228515625	272.0
162.40182495117188	132.0
162.43748474121094	188.0
162.49539184570312	3824.0
162.5391845703125	104.0
162.56971740722656	160.0
162.62831115722656	144.0
162.74574279785156	160.0
162.80169677734375	140.0
162.8826446533203	180.0
162.98138427734375	164.0
163.08045959472656	12976.0
163.18023681640625	120.0
163.2977752685547	96.0
163.49331665039062	100.0
163.7710418701172	120.0
163.88772583007812	232.0
163.94436645507812	120.0
163.9813232421875	128.0
164.0555877685547	112.0
164.08421325683594	1120.0
164.11398315429688	120.0
164.20785522460938	132.0
164.28172302246094	152.0
164.30563354492188	100.0
164.3369598388672	100.0
164.3836669921875	112.0
164.5679931640625	96.0
165.07577514648438	156.0
165.3340301513672	100.0
166.4800262451172	216.0
167.0742645263672	544.0
167.1055908203125	164.0
167.45310974121094	196.0
168.07754516601562	396.0
169.29067993164062	128.0
170.04110717773438	196.0
170.92466735839844	156.0
170.99752807617188	208.0
174.0902862548828	160.0
180.08641052246094	188.0
182.7322235107422	152.0
186.07815551757812	196.0
188.01077270507812	168.0
188.09811401367188	332.0
189.09849548339844	140.0
190.13296508789062	152.0
192.07968139648438	140.0
193.0878143310547	180.0
194.09706115722656	172.0
199.3128204345703	168.0
201.52488708496094	196.0
202.04039001464844	144.0
203.03515625	148.0
205.14678955078125	892.0
206.14599609375	172.0
216.4639892578125	160.0
230.0740509033203	1212.0
231.0738983154297	172.0
231.83363342285156	148.0
232.01388549804688	144.0
232.07090759277344	796.0
232.10780334472656	304.0
232.15707397460938	50912.0
232.2592010498047	228.0
232.5005645751953	100.0
232.7618865966797	168.0
233.0818328857422	232.0
233.1590118408203	4872.0
233.3201446533203	104.0
233.80308532714844	160.0
234.16358947753906	536.0
234.66490173339844	160.0
234.91250610351562	112.0
235.92636108398438	132.0
238.95379638671875	124.0
307.1703796386719	140.0
333.3764953613281	148.0
1053.5452880859375	176.0
1104.3846435546875	152.0
1146.0494384765625	176.0
1149.8189697265625	160.0
1150.8516845703125	140.0
1153.567626953125	220.0
1194.8477783203125	140.0
1224.9271240234375	164.0
1249.4849853515625	176.0
1262.5128173828125	216.0
1264.0550537109375	236.0
1270.8785400390625	144.0
1277.1513671875	168.0
1280.9381103515625	152.0
1308.7974853515625	148.0
1319.2442626953125	152.0
1320.1624755859375	152.0
1341.253662109375	188.0
1341.603515625	220.0
1349.905029296875	160.0
1355.4169921875	260.0
1356.9781494140625	140.0
1358.1295166015625	160.0
1363.9888916015625	248.0
1369.3453369140625	196.0
1369.4779052734375	160.0
1375.9671630859375	172.0
1381.2435302734375	168.0
1382.4864501953125	188.0
1383.2340087890625	200.0
1387.58251953125	164.0
1387.7900390625	168.0
1391.5443115234375	224.0
1401.145751953125	228.0
1407.7916259765625	144.0
1412.6572265625	148.0
1420.7628173828125	144.0
1420.8153076171875	148.0
1420.8753662109375	144.0
1426.372314453125	204.0
1441.830810546875	188.0
1445.8389892578125	172.0
1466.8629150390625	188.0
1474.7017822265625	180.0
1475.1910400390625	172.0
1479.3677978515625	144.0
1480.0721435546875	192.0
1487.669921875	180.0
1490.4654541015625	232.0
1501.7821044921875	152.0
1503.6414794921875	172.0
1510.494873046875	180.0
1514.0164794921875	180.0
1531.03173828125	140.0
1534.0859375	200.0
1537.6973876953125	160.0
1538.36083984375	140.0
1540.72705078125	156.0
1541.4068603515625	200.0
1541.992919921875	144.0
1556.7366943359375	188.0
1558.857666015625	200.0
1562.490234375	172.0
1562.930908203125	220.0
1569.5394287109375	168.0
1572.1346435546875	160.0
1574.1634521484375	272.0
1574.4337158203125	156.0
1578.786376953125	208.0
1579.6009521484375	160.0
1583.471435546875	168.0
1584.7626953125	164.0
1585.8641357421875	164.0
1589.7581787109375	204.0
1591.44091796875	140.0
1594.586669921875	144.0
1596.916259765625	144.0
1601.158203125	232.0
1606.346923828125	144.0
1616.277587890625	144.0
1630.246337890625	156.0
1632.03076171875	148.0
1633.3577880859375	168.0
1635.07958984375	168.0
1638.888427734375	172.0
1639.4283447265625	204.0
1640.814697265625	168.0
1645.340576171875	152.0
1647.4241943359375	140.0
1652.784423828125	152.0
1664.0343017578125	160.0
1668.6165771484375	188.0
1670.6090087890625	160.0
1672.95263671875	172.0
1680.646240234375	168.0
1681.0623779296875	208.0
1681.723388671875	212.0
1685.994873046875	200.0
1690.2061767578125	160.0
1698.1771240234375	156.0
1703.9642333984375	220.0
1708.2144775390625	164.0
1708.7080078125	204.0
1709.9012451171875	176.0
1712.9146728515625	176.0
1713.31005859375	208.0
1714.068115234375	248.0
1719.8162841796875	148.0
1721.9051513671875	192.0
1724.6729736328125	140.0
1729.29638671875	180.0
1729.4619140625	144.0
1731.2916259765625	140.0
1731.763671875	148.0
1737.1182861328125	156.0
1737.30078125	208.0
1740.3558349609375	172.0
1746.3548583984375	184.0
1748.027099609375	224.0
1752.115234375	180.0
1755.9495849609375	148.0
1756.5750732421875	176.0
1759.9635009765625	156.0
1762.1517333984375	140.0
1764.366455078125	152.0
1764.60888671875	168.0
1768.65771484375	212.0
1771.6136474609375	176.0
1775.4693603515625	184.0
1775.6622314453125	168.0
1779.2950439453125	140.0
1782.067138671875	272.0
1784.361572265625	172.0
1787.72607421875	176.0
1789.93994140625	212.0
1791.46435546875	144.0
1802.6519775390625	168.0
1804.072021484375	152.0
1804.1903076171875	228.0
1805.5093994140625	144.0
1811.8153076171875	156.0
1812.9676513671875	156.0
1815.9444580078125	132.0
1817.631591796875	208.0
1818.369873046875	140.0
1819.4903564453125	216.0
1820.70458984375	168.0
1822.08056640625	140.0
1824.1796875	148.0
1830.2200927734375	160.0
1831.046142578125	152.0
1831.3526611328125	172.0
1832.860595703125	184.0
1837.70361328125	180.0
1839.43603515625	172.0
1842.0745849609375	184.0
1842.732421875	236.0
1845.8948974609375	160.0
1848.7947998046875	224.0
1851.697021484375	140.0
1852.5450439453125	156.0
1856.436279296875	208.0
1860.606201171875	200.0
1865.5201416015625	156.0
1867.4031982421875	176.0
1870.4405517578125	160.0
1873.3941650390625	236.0
1873.6439208984375	204.0
1874.5054931640625	144.0
1875.82421875	140.0
1880.2919921875	188.0
1881.654052734375	212.0
1882.8475341796875	140.0
1885.0762939453125	212.0
1887.4793701171875	212.0
1890.10888671875	148.0
1891.2252197265625	164.0
1891.55419921875	164.0
1891.632080078125	252.0
1892.887451171875	156.0
1893.9354248046875	168.0
1894.09130859375	144.0
1897.973876953125	172.0
1903.7877197265625	200.0
1905.3685302734375	152.0
1907.5584716796875	176.0
1913.9930419921875	188.0
1914.9022216796875	156.0
1916.7926025390625	212.0
1918.4747314453125	220.0
1920.4541015625	188.0
1928.29443359375	260.0
1929.885498046875	176.0
1931.5220947265625	112.0
1933.944580078125	140.0
1936.9390869140625	184.0
1943.1851806640625	144.0
1944.8743896484375	172.0
1945.427490234375	212.0
1950.2410888671875	148.0
1950.5399169921875	180.0
1950.9091796875	172.0
1951.0234375	160.0
1951.42333984375	196.0
1953.9520263671875	188.0
1954.1103515625	184.0
1954.2598876953125	164.0
1956.504150390625	156.0
1959.287109375	192.0
1963.681884765625	188.0
1964.011962890625	196.0
1966.2264404296875	192.0
1967.3563232421875	152.0
1968.35400390625	152.0
1972.84228515625	168.0
1977.494873046875	164.0
1981.0633544921875	204.0
1981.6214599609375	208.0
1982.95947265625	160.0
1987.5797119140625	156.0
1988.307373046875	164.0
1989.5145263671875	188.0
1989.843017578125	152.0
1994.7113037109375	160.0
1995.32470703125	156.0
1995.440185546875	144.0
1995.884765625	144.0
1996.9697265625	148.0
1998.4642333984375	144.0
1999.8079833984375	152.0
2000.632080078125	248.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079070
PEPMASS=346.127136
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_C2_D11_BD1_01_15723.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=73590-58-6 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(OC)c3C
INCHI=InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
INCHIAUX=SUBDBMMJDZJVOS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079070
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079070
SCANS=1062
44.97135543823242	148.0
45.10626220703125	148.0
45.2186164855957	168.0
45.68288040161133	168.0
45.719207763671875	152.0
45.891632080078125	168.0
45.983360290527344	204.0
46.25368881225586	144.0
46.2794075012207	276.0
46.49494552612305	156.0
46.57233428955078	140.0
46.617164611816406	184.0
46.68513870239258	176.0
46.840293884277344	188.0
48.16124725341797	184.0
48.55847930908203	200.0
48.77368927001953	152.0
49.04093551635742	212.0
49.689788818359375	168.0
50.4729118347168	164.0
50.64273452758789	184.0
51.02019119262695	172.0
51.4404411315918	160.0
51.681968688964844	148.0
51.848079681396484	200.0
51.962791442871094	144.0
52.224239349365234	144.0
52.375370025634766	176.0
52.6060905456543	164.0
52.86480712890625	148.0
52.92994689941406	144.0
53.116905212402344	196.0
53.542816162109375	124.0
53.59083938598633	160.0
54.12397003173828	172.0
54.60292434692383	204.0
54.95000457763672	236.0
55.1840705871582	192.0
55.9146728515625	240.0
56.07105255126953	168.0
56.47566604614258	164.0
56.70024490356445	224.0
57.33596420288086	176.0
57.49733352661133	212.0
57.84042739868164	148.0
58.085906982421875	160.0
58.265037536621094	168.0
58.64698791503906	324.0
58.842247009277344	188.0
59.298095703125	156.0
59.64958572387695	172.0
60.06843185424805	144.0
60.2413215637207	176.0
60.36342239379883	168.0
60.813323974609375	236.0
60.8872184753418	164.0
60.902748107910156	256.0
61.391441345214844	184.0
61.644107818603516	140.0
62.038753509521484	196.0
62.104610443115234	148.0
62.450157165527344	156.0
62.76512145996094	168.0
62.78662109375	228.0
63.27546310424805	168.0
63.43229675292969	164.0
63.489376068115234	148.0
63.943748474121094	148.0
64.25128173828125	152.0
64.53656768798828	212.0
64.59474182128906	196.0
64.67635345458984	188.0
64.73719024658203	148.0
64.98885345458984	228.0
65.29727935791016	188.0
65.6999740600586	172.0
65.72740173339844	192.0
65.98258972167969	148.0
66.94316101074219	180.0
67.09632110595703	152.0
67.48979949951172	152.0
68.27362823486328	164.0
68.34764862060547	212.0
68.37727355957031	176.0
68.5106430053711	156.0
68.79098510742188	172.0
68.99087524414062	172.0
69.02725219726562	172.0
69.16456604003906	244.0
69.24735260009766	236.0
69.65538024902344	168.0
69.91475677490234	208.0
70.01131439208984	164.0
70.032958984375	140.0
70.15460205078125	156.0
70.2296371459961	256.0
70.51681518554688	160.0
70.97383117675781	212.0
71.5938949584961	184.0
71.7860107421875	196.0
72.06114196777344	164.0
72.3401870727539	192.0
72.67744445800781	180.0
72.71308135986328	148.0
72.94329833984375	168.0
73.03760528564453	156.0
73.46857452392578	156.0
73.54536437988281	260.0
73.71273040771484	144.0
73.80845642089844	188.0
74.16282653808594	172.0
74.22111511230469	156.0
74.59882354736328	220.0
74.61380004882812	180.0
74.74156951904297	172.0
74.9981689453125	156.0
76.27733612060547	172.0
76.30167388916016	184.0
76.45891571044922	232.0
76.58880615234375	184.0
76.6253890991211	168.0
76.67417907714844	168.0
76.89741516113281	196.0
77.48800659179688	244.0
78.28591918945312	156.0
78.6473388671875	164.0
78.8257064819336	152.0
78.8698959350586	180.0
78.89110565185547	144.0
79.9233169555664	144.0
80.34200286865234	208.0
80.36698150634766	144.0
80.5990982055664	180.0
80.92462921142578	140.0
80.96044158935547	184.0
80.9862060546875	208.0
82.42473602294922	152.0
82.6091537475586	148.0
82.97315216064453	196.0
83.07652282714844	160.0
83.15454864501953	144.0
83.6107177734375	172.0
84.05354309082031	388.0
84.53229522705078	148.0
84.65311431884766	284.0
85.31362915039062	144.0
85.40005493164062	192.0
85.565673828125	168.0
85.61538696289062	144.0
85.83836364746094	156.0
86.07086181640625	196.0
86.26300811767578	164.0
87.10614013671875	168.0
87.39057922363281	216.0
87.41291046142578	184.0
87.72953796386719	148.0
88.17564392089844	192.0
88.84786224365234	156.0
89.29867553710938	144.0
89.50192260742188	152.0
89.64696502685547	140.0
90.08847045898438	204.0
90.37583923339844	204.0
90.41338348388672	152.0
90.70726013183594	168.0
91.04118347167969	188.0
91.17606353759766	148.0
91.51847076416016	144.0
91.70706176757812	156.0
92.59739685058594	224.0
92.67977142333984	208.0
92.79285430908203	164.0
92.89065551757812	172.0
93.07137298583984	172.0
93.77128601074219	208.0
94.06446838378906	340.0
94.0779800415039	152.0
94.97584533691406	188.0
95.13690948486328	200.0
96.0241928100586	204.0
96.35994720458984	196.0
96.45960998535156	196.0
96.69628143310547	196.0
97.05084228515625	172.0
97.12869262695312	196.0
97.18421936035156	140.0
97.37267303466797	156.0
97.63208770751953	164.0
98.73648071289062	192.0
98.84725952148438	172.0
99.10466766357422	196.0
99.21554565429688	216.0
99.49935150146484	148.0
99.57282257080078	188.0
99.8311767578125	196.0
100.08985900878906	208.0
100.37281036376953	268.0
100.40471649169922	224.0
100.92591094970703	140.0
101.67510223388672	144.0
101.70118713378906	160.0
101.84375	156.0
102.2901382446289	156.0
102.99385833740234	252.0
103.81555938720703	168.0
103.99612426757812	144.0
104.06108093261719	196.0
104.21138000488281	144.0
104.26217651367188	172.0
104.53874969482422	148.0
104.7953109741211	164.0
105.12155151367188	144.0
105.77556610107422	188.0
105.85541534423828	208.0
105.9066162109375	180.0
106.06580352783203	1168.0
106.14024353027344	260.0
106.31050109863281	168.0
106.70913696289062	264.0
107.02584075927734	164.0
107.07575988769531	216.0
107.34654998779297	152.0
107.55152893066406	144.0
107.56804656982422	180.0
108.08058166503906	1004.0
108.70221710205078	160.0
109.05110931396484	172.0
109.14466094970703	144.0
109.18416595458984	220.0
109.9717025756836	156.0
110.24320220947266	152.0
110.3916244506836	228.0
110.5003890991211	172.0
111.21916961669922	204.0
111.38504791259766	208.0
111.50691223144531	192.0
111.70877075195312	216.0
112.14372253417969	204.0
113.0697021484375	176.0
113.54425811767578	196.0
113.63335418701172	180.0
114.19627380371094	144.0
115.07849884033203	172.0
115.5401382446289	164.0
117.50809478759766	188.0
118.06349182128906	196.0
118.36185455322266	148.0
118.68687438964844	140.0
119.44263458251953	140.0
119.45875549316406	156.0
119.4817886352539	172.0
119.6842041015625	140.0
120.0434341430664	144.0
120.08150482177734	1836.0
120.29246520996094	176.0
121.08902740478516	5108.0
121.19237518310547	148.0
121.5399398803711	144.0
121.57723999023438	184.0
121.85358428955078	188.0
121.97477722167969	196.0
122.09656524658203	2612.0
122.18769836425781	204.0
122.90414428710938	140.0
122.94607543945312	148.0
123.06340026855469	136.0
123.098388671875	220.0
123.42542266845703	148.0
123.65106201171875	192.0
123.96703338623047	100.0
124.18058013916016	160.0
124.216064453125	152.0
124.45796966552734	168.0
124.6734390258789	200.0
125.61747741699219	172.0
125.97911071777344	204.0
126.1467056274414	184.0
126.204833984375	140.0
126.34797668457031	176.0
126.54044342041016	168.0
127.02226257324219	204.0
127.18830871582031	184.0
127.27586364746094	208.0
127.3117904663086	176.0
127.36344909667969	188.0
127.3948974609375	160.0
128.05169677734375	160.0
128.07647705078125	168.0
128.63153076171875	172.0
129.01364135742188	180.0
129.0807647705078	176.0
129.71014404296875	148.0
129.88475036621094	152.0
130.9120330810547	232.0
131.13528442382812	212.0
131.3769989013672	180.0
131.918212890625	216.0
132.33229064941406	188.0
132.76766967773438	148.0
133.05999755859375	148.0
133.1256561279297	172.0
133.14633178710938	176.0
133.8384246826172	140.0
133.97454833984375	156.0
134.04852294921875	1728.0
134.07110595703125	180.0
134.09649658203125	144.0
134.11724853515625	152.0
134.23712158203125	224.0
134.50474548339844	140.0
134.70333862304688	208.0
134.9552459716797	148.0
135.04884338378906	152.0
135.06214904785156	192.0
135.08937072753906	168.0
135.40159606933594	184.0
135.60108947753906	212.0
135.6997833251953	104.0
135.7378692626953	156.0
135.8352813720703	172.0
135.92807006835938	140.0
135.95687866210938	232.0
136.02401733398438	948.0
136.05331420898438	316.0
136.0765380859375	57664.0
136.26712036132812	108.0
136.34207153320312	172.0
136.47943115234375	152.0
136.93821716308594	116.0
136.9940185546875	196.0
137.02862548828125	160.0
137.0787353515625	5920.0
137.26792907714844	152.0
137.857177734375	104.0
137.885498046875	184.0
137.91778564453125	152.0
138.03384399414062	144.0
138.0804901123047	152.0
138.0841522216797	296.0
138.0931396484375	456.0
138.1671600341797	184.0
138.312255859375	144.0
138.8957061767578	160.0
140.11473083496094	176.0
140.43634033203125	140.0
141.0006103515625	188.0
141.80055236816406	148.0
142.23934936523438	152.0
142.3306884765625	152.0
142.62889099121094	244.0
143.16421508789062	160.0
144.0571746826172	180.0
145.14952087402344	160.0
145.649169921875	176.0
145.7548828125	156.0
146.03614807128906	140.0
146.73268127441406	128.0
147.0659942626953	152.0
148.0186767578125	516.0
148.07852172851562	192.0
148.10223388671875	192.0
148.1458282470703	164.0
148.17005920410156	156.0
148.69866943359375	228.0
149.0297393798828	168.0
149.07154846191406	20904.0
149.19534301757812	220.0
149.39694213867188	140.0
149.5401153564453	172.0
149.93170166015625	160.0
149.97314453125	148.0
150.092041015625	22612.0
150.44293212890625	216.0
150.51255798339844	140.0
150.66127014160156	192.0
150.76632690429688	212.0
150.87142944335938	164.0
150.9961395263672	148.0
151.05943298339844	288.0
151.09996032714844	67220.0
151.1395721435547	276.0
151.23477172851562	156.0
151.2990264892578	112.0
151.4872589111328	144.0
151.52642822265625	100.0
152.0159912109375	1300.0
152.1028289794922	4964.0
152.16644287109375	208.0
152.24354553222656	148.0
152.84927368164062	136.0
153.02252197265625	160.0
153.10372924804688	424.0
153.1541748046875	124.0
153.27001953125	128.0
153.3204803466797	100.0
153.77980041503906	152.0
153.8933563232422	188.0
154.0143585205078	144.0
154.0538787841797	168.0
154.08682250976562	308.0
154.1368865966797	188.0
154.25157165527344	188.0
154.3702392578125	228.0
154.7646942138672	156.0
155.33367919921875	140.0
159.5138702392578	156.0
159.7225799560547	152.0
159.7401885986328	164.0
160.7227325439453	196.0
163.0486602783203	376.0
163.23684692382812	144.0
164.01748657226562	360.0
164.0527801513672	228.0
164.55661010742188	232.0
164.57994079589844	192.0
164.64727783203125	204.0
164.76222229003906	272.0
165.0243682861328	3708.0
165.0714874267578	176.0
165.7421417236328	208.0
166.0313262939453	1388.0
166.08682250976562	2476.0
166.37306213378906	140.0
167.02145385742188	408.0
167.04571533203125	196.0
167.0879669189453	112.0
167.1299591064453	104.0
167.16470336914062	152.0
167.18270874023438	208.0
167.20127868652344	188.0
167.2341766357422	200.0
167.338623046875	112.0
167.8227996826172	116.0
168.01968383789062	120.0
168.0517120361328	196.0
168.1024627685547	33348.0
168.20535278320312	108.0
168.63037109375	180.0
168.73033142089844	160.0
169.10536193847656	1460.0
169.3217010498047	96.0
169.48867797851562	188.0
169.77456665039062	164.0
169.9389190673828	172.0
170.02545166015625	156.0
170.10610961914062	448.0
170.1578369140625	168.0
170.41236877441406	164.0
172.15496826171875	180.0
172.22808837890625	240.0
174.8157501220703	160.0
175.4979705810547	188.0
176.3189239501953	152.0
177.5499725341797	172.0
177.61361694335938	152.0
178.6063690185547	204.0
178.95831298828125	172.0
179.0276336669922	14008.0
179.07015991210938	156.0
179.69781494140625	104.0
180.04820251464844	32784.0
180.09922790527344	188.0
180.5231170654297	188.0
180.58425903320312	160.0
180.65032958984375	160.0
181.00360107421875	228.0
181.02426147460938	724.0
181.0548553466797	9032.0
181.3036346435547	144.0
181.35455322265625	168.0
182.0469970703125	1124.0
182.09603881835938	216.0
182.18283081054688	116.0
182.27215576171875	152.0
182.5213623046875	104.0
182.58419799804688	196.0
183.0514678955078	524.0
183.07667541503906	144.0
183.09471130371094	148.0
183.47006225585938	144.0
184.02313232421875	168.0
184.78799438476562	144.0
185.58970642089844	192.0
187.47889709472656	156.0
190.242431640625	140.0
192.4052276611328	204.0
192.69244384765625	172.0
195.26483154296875	152.0
195.88055419921875	220.0
197.48211669921875	148.0
197.6471710205078	152.0
197.82069396972656	196.0
197.87388610839844	148.0
197.90109252929688	200.0
197.94558715820312	176.0
198.00860595703125	268.0
198.06005859375	153272.0
198.11912536621094	184.0
198.14231872558594	184.0
198.2300262451172	128.0
198.2902374267578	220.0
198.3401641845703	160.0
198.43955993652344	172.0
198.4942169189453	112.0
198.51951599121094	900.0
198.63426208496094	132.0
198.78329467773438	124.0
198.94638061523438	232.0
199.00657653808594	208.0
199.06210327148438	14260.0
199.1651153564453	192.0
199.3970947265625	172.0
199.8847198486328	136.0
200.05615234375	6512.0
200.14715576171875	152.0
200.25967407226562	124.0
200.3174591064453	160.0
200.3423614501953	108.0
200.38197326660156	280.0
200.40699768066406	120.0
200.44952392578125	116.0
200.4805145263672	140.0
200.60928344726562	156.0
200.67417907714844	132.0
200.72251892089844	132.0
200.74636840820312	104.0
201.05789184570312	464.0
201.08187866210938	152.0
201.1978302001953	116.0
211.86776733398438	156.0
224.03997802734375	180.0
226.11520385742188	176.0
227.1156005859375	120.0
236.0779266357422	188.0
237.08815002441406	160.0
250.37646484375	192.0
252.11473083496094	260.0
253.1269989013672	204.0
254.1095733642578	184.0
255.11004638671875	256.0
257.043212890625	144.0
269.1299743652344	444.0
270.13543701171875	168.0
279.09759521484375	196.0
280.1078796386719	464.0
280.2213439941406	188.0
281.05609130859375	152.0
281.1097106933594	252.0
281.6491394042969	144.0
282.11883544921875	208.0
294.1206359863281	412.0
295.13385009765625	128.0
296.1357421875	164.0
298.0681457519531	140.0
311.08251953125	160.0
312.0924377441406	256.0
313.0802001953125	148.0
314.0980224609375	156.0
328.1123352050781	2892.0
329.1156005859375	844.0
329.1634216308594	188.0
330.1174011230469	176.0
331.10107421875	108.0
345.3949279785156	144.0
346.1229248046875	4776.0
347.126953125	580.0
348.1209716796875	524.0
349.12060546875	104.0
350.2909851074219	140.0
359.52203369140625	144.0
390.955810546875	180.0
554.9097900390625	148.0
675.4666137695312	160.0
961.9735717773438	196.0
1154.7232666015625	172.0
1189.3291015625	168.0
1238.022216796875	180.0
1249.512451171875	212.0
1294.865478515625	160.0
1297.3876953125	184.0
1309.07763671875	200.0
1315.818359375	152.0
1321.2034912109375	200.0
1338.0841064453125	192.0
1340.3638916015625	244.0
1350.5260009765625	180.0
1354.98486328125	176.0
1356.046630859375	192.0
1359.977783203125	208.0
1370.8328857421875	208.0
1385.4473876953125	204.0
1394.2103271484375	144.0
1405.3873291015625	224.0
1407.6416015625	168.0
1414.4599609375	168.0
1416.009765625	148.0
1427.28125	152.0
1440.8856201171875	180.0
1451.3909912109375	144.0
1452.74853515625	228.0
1453.4085693359375	212.0
1455.6712646484375	192.0
1457.8355712890625	140.0
1468.7684326171875	176.0
1476.2530517578125	200.0
1489.9730224609375	188.0
1498.6207275390625	164.0
1504.3663330078125	176.0
1504.7677001953125	144.0
1506.6444091796875	156.0
1529.738525390625	148.0
1549.504150390625	168.0
1557.90625	208.0
1576.651123046875	172.0
1584.3023681640625	148.0
1584.8411865234375	140.0
1585.19775390625	176.0
1589.2257080078125	148.0
1590.4002685546875	140.0
1596.7642822265625	272.0
1602.34423828125	188.0
1606.15478515625	156.0
1618.510009765625	176.0
1624.4166259765625	236.0
1625.4434814453125	156.0
1632.0863037109375	160.0
1648.9747314453125	172.0
1649.4193115234375	208.0
1659.9927978515625	144.0
1662.8646240234375	176.0
1665.665771484375	160.0
1675.6312255859375	208.0
1678.076171875	144.0
1679.1607666015625	140.0
1686.034912109375	188.0
1687.448974609375	156.0
1695.7166748046875	160.0
1701.2532958984375	176.0
1702.066162109375	152.0
1706.97998046875	176.0
1707.0374755859375	180.0
1707.3746337890625	188.0
1707.901123046875	200.0
1710.846923828125	160.0
1715.83935546875	168.0
1716.2763671875	140.0
1719.4852294921875	160.0
1720.6954345703125	152.0
1722.523681640625	168.0
1724.5316162109375	212.0
1727.5579833984375	192.0
1730.2144775390625	148.0
1733.07177734375	192.0
1736.84375	152.0
1739.05078125	140.0
1741.5167236328125	140.0
1743.52734375	156.0
1744.5330810546875	160.0
1745.1815185546875	228.0
1750.3985595703125	160.0
1751.09814453125	152.0
1754.4228515625	292.0
1759.6787109375	184.0
1768.93310546875	148.0
1769.2177734375	180.0
1772.400390625	172.0
1776.877685546875	176.0
1779.4793701171875	160.0
1780.025146484375	184.0
1780.403076171875	144.0
1780.97412109375	164.0
1792.7020263671875	176.0
1793.1234130859375	176.0
1793.7640380859375	156.0
1799.770751953125	152.0
1804.2401123046875	144.0
1805.8636474609375	148.0
1809.1383056640625	164.0
1809.3753662109375	172.0
1815.77294921875	164.0
1816.2647705078125	216.0
1816.493896484375	252.0
1818.0380859375	140.0
1832.0162353515625	152.0
1832.2718505859375	168.0
1839.9132080078125	144.0
1840.7498779296875	176.0
1842.031005859375	148.0
1850.0179443359375	196.0
1854.2835693359375	172.0
1857.07861328125	148.0
1857.661865234375	140.0
1858.802978515625	148.0
1858.87158203125	144.0
1859.0517578125	160.0
1861.5927734375	200.0
1862.6405029296875	200.0
1862.82958984375	232.0
1864.135498046875	176.0
1865.605224609375	144.0
1868.00439453125	204.0
1869.04541015625	196.0
1870.0921630859375	200.0
1876.5819091796875	152.0
1878.43603515625	144.0
1886.0001220703125	140.0
1892.341064453125	152.0
1895.2080078125	148.0
1896.7591552734375	168.0
1897.548095703125	160.0
1898.736083984375	180.0
1899.2130126953125	196.0
1901.156494140625	228.0
1901.3387451171875	200.0
1907.844482421875	208.0
1908.070556640625	192.0
1908.2965087890625	148.0
1910.496826171875	172.0
1914.648681640625	176.0
1915.5806884765625	208.0
1921.56982421875	160.0
1928.608154296875	148.0
1928.8704833984375	168.0
1929.6221923828125	156.0
1931.3974609375	156.0
1932.8980712890625	172.0
1940.6451416015625	140.0
1941.2589111328125	140.0
1941.3641357421875	168.0
1951.217529296875	148.0
1956.203857421875	176.0
1956.3975830078125	144.0
1961.1982421875	156.0
1961.5068359375	204.0
1963.6317138671875	212.0
1966.6314697265625	240.0
1969.6070556640625	144.0
1971.038330078125	144.0
1972.6202392578125	184.0
1973.2479248046875	144.0
1974.7335205078125	160.0
1977.86572265625	180.0
1982.398193359375	160.0
1987.5521240234375	200.0
1989.3360595703125	204.0
1989.5845947265625	172.0
1992.248779296875	148.0
1995.7415771484375	140.0
1998.409912109375	188.0
1999.450927734375	140.0
2000.5814208984375	188.0
2003.270751953125	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079071
PEPMASS=396.047913
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_C2_D11_BD1_01_15723.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Nc1nc(cs1)C(=NO)C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)C=C
INCHI=InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/t8-,12-/m1/s1
INCHIAUX=RTXOFQZKPXMALH-PRHODGIISA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079071
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079071
SCANS=994
45.56593322753906	140.0
51.66338348388672	176.0
54.35118103027344	164.0
55.95637130737305	188.0
57.042476654052734	148.0
57.888893127441406	184.0
58.90945816040039	248.0
70.12461853027344	200.0
70.8984146118164	176.0
78.06597137451172	144.0
78.50621795654297	140.0
78.68972778320312	164.0
91.24452209472656	196.0
94.06256866455078	160.0
95.02631378173828	268.0
97.00970458984375	152.0
97.71866607666016	156.0
98.23087310791016	144.0
99.98836517333984	180.0
101.80561828613281	156.0
101.9783935546875	164.0
102.00157165527344	208.0
103.6676025390625	164.0
106.02752685546875	176.0
106.05211639404297	200.0
108.55081939697266	140.0
110.01139068603516	148.0
110.05732727050781	148.0
111.0534439086914	188.0
112.15731048583984	240.0
113.01683044433594	268.0
114.03684997558594	176.0
115.43536376953125	144.0
117.04257202148438	176.0
119.05973052978516	384.0
120.04678344726562	284.0
120.06776428222656	164.0
123.01217651367188	116.0
124.02235412597656	452.0
124.04950714111328	284.0
125.00607299804688	424.0
126.01237487792969	4228.0
127.01173400878906	384.0
127.34326934814453	184.0
127.97904968261719	172.0
128.00845336914062	112.0
128.02920532226562	180.0
128.58154296875	156.0
130.16847229003906	220.0
132.69203186035156	228.0
132.98492431640625	188.0
135.0501708984375	116.0
136.01979064941406	456.0
137.9847869873047	168.0
138.0154266357422	192.0
138.03933715820312	328.0
138.99192810058594	244.0
139.0388641357422	188.0
142.0048370361328	764.0
142.27499389648438	176.0
142.98094177246094	160.0
143.0452117919922	152.0
144.0037384033203	172.0
144.02761840820312	188.0
144.9918212890625	184.0
145.98809814453125	156.0
147.05386352539062	176.0
148.01751708984375	144.0
150.05606079101562	144.0
150.16580200195312	144.0
150.8641357421875	152.0
151.03530883789062	168.0
151.05242919921875	184.0
152.0174560546875	2496.0
153.02352905273438	440.0
154.00372314453125	148.0
154.02603149414062	228.0
154.07615661621094	208.0
155.01637268066406	168.0
155.06346130371094	328.0
156.02613830566406	204.0
157.00262451171875	216.0
161.03579711914062	380.0
164.01565551757812	188.0
164.0349884033203	168.0
166.030029296875	1224.0
167.0369415283203	120.0
167.95567321777344	140.0
168.0076141357422	128.0
170.02670288085938	1628.0
171.03663635253906	420.0
171.9983673095703	172.0
172.02113342285156	144.0
172.03012084960938	216.0
173.0220947265625	136.0
174.08763122558594	184.0
179.03457641601562	168.0
180.02247619628906	468.0
180.0543212890625	208.0
181.0401611328125	264.0
181.64151000976562	144.0
182.02574157714844	1004.0
183.03314208984375	1020.0
184.03494262695312	260.0
184.06907653808594	168.0
184.98289489746094	168.0
185.03109741210938	136.0
187.0283203125	128.0
190.04112243652344	208.0
190.43092346191406	152.0
191.04017639160156	172.0
194.00111389160156	140.0
195.0118865966797	168.0
197.98619079589844	136.0
198.01852416992188	164.0
198.8297882080078	204.0
199.02984619140625	1116.0
199.99078369140625	164.0
200.02713012695312	168.0
200.05401611328125	144.0
200.97686767578125	152.0
201.02764892578125	144.0
202.04483032226562	140.0
204.05274963378906	164.0
207.02427673339844	860.0
209.01361083984375	1064.0
209.98031616210938	152.0
210.02027893066406	752.0
210.98516845703125	240.0
211.02777099609375	1368.0
211.9971466064453	264.0
212.02322387695312	236.0
213.00384521484375	1184.0
213.9988250732422	252.0
214.99691772460938	376.0
216.0073699951172	156.0
219.41387939453125	192.0
221.0442657470703	192.0
222.01463317871094	180.0
224.00502014160156	148.0
225.99856567382812	608.0
227.02362060546875	11684.0
228.02719116210938	836.0
228.24815368652344	188.0
229.0220184326172	792.0
232.04954528808594	140.0
234.96971130371094	124.0
239.9129180908203	156.0
243.0003662109375	1120.0
244.00880432128906	152.0
245.0129852294922	272.0
246.00144958496094	112.0
247.0619354248047	140.0
250.99732971191406	144.0
252.98699951171875	228.0
253.02842712402344	156.0
253.96055603027344	148.0
254.00137329101562	124.0
254.97653198242188	164.0
255.9928436279297	204.0
257.0528564453125	168.0
259.06390380859375	156.0
261.0184631347656	188.0
263.9495544433594	140.0
270.6722717285156	172.0
270.9956970214844	2208.0
271.0358581542969	172.0
272.00189208984375	328.0
272.05450439453125	156.0
272.7259521484375	144.0
272.9913635253906	284.0
273.8808288574219	200.0
274.0060119628906	144.0
284.89849853515625	240.0
286.0499572753906	124.0
288.0042724609375	148.0
290.1903381347656	168.0
291.0365905761719	136.0
294.041015625	172.0
301.0306396484375	148.0
301.07208251953125	160.0
302.0754699707031	184.0
304.04241943359375	148.0
309.0443420410156	168.0
311.8798828125	140.0
312.3932800292969	168.0
316.0412292480469	160.0
319.03125	164.0
322.99273681640625	152.0
328.0955505371094	180.0
332.02691650390625	136.0
335.0437927246094	128.0
336.04315185546875	152.0
350.03521728515625	196.0
351.0514221191406	140.0
362.05499267578125	272.0
363.0175476074219	264.0
364.01556396484375	156.0
365.0035400390625	148.0
368.0456848144531	276.0
369.026123046875	176.0
375.83990478515625	180.0
376.519287109375	172.0
376.6235656738281	184.0
386.4590759277344	212.0
393.21112060546875	224.0
393.3049011230469	144.0
394.2104187011719	156.0
396.0430603027344	5220.0
396.12432861328125	152.0
396.6551818847656	148.0
396.7525329589844	108.0
397.0433349609375	944.0
398.03759765625	684.0
399.0172119140625	148.0
399.2041015625	156.0
417.043212890625	164.0
1227.4915771484375	156.0
1461.85107421875	172.0
1517.4410400390625	200.0
1651.1337890625	140.0
1659.6689453125	160.0
1671.698974609375	160.0
1713.441650390625	176.0
1765.235595703125	212.0
1768.4481201171875	220.0
1781.38623046875	164.0
1782.923828125	212.0
1858.820556640625	196.0
1923.1236572265625	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079072
PEPMASS=347.226898
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_C2_D11_BD1_01_15723.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=50-22-6 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@H]1C(=O)CO
INCHI=InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
INCHIAUX=OMFXVFTZEKFJBZ-HJTSIMOOSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079072
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079072
SCANS=1236
48.98661422729492	168.0
52.05898666381836	148.0
57.09360885620117	160.0
58.54645919799805	152.0
90.98426055908203	196.0
91.05831909179688	272.0
93.06843566894531	196.0
94.97976684570312	148.0
95.08454132080078	264.0
96.1939926147461	220.0
97.06636810302734	496.0
98.27823638916016	184.0
99.07499694824219	172.0
100.048095703125	172.0
101.06294250488281	176.0
104.68943786621094	148.0
105.06951141357422	188.0
107.0863037109375	516.0
109.0638427734375	476.0
113.92424774169922	200.0
117.06879425048828	168.0
119.08405303955078	348.0
121.06416320800781	1052.0
121.10092163085938	492.0
122.06936645507812	144.0
123.07962799072266	504.0
123.3171615600586	224.0
124.08306884765625	224.0
126.15570831298828	176.0
128.06076049804688	316.0
129.07009887695312	508.0
130.0730743408203	132.0
130.88931274414062	160.0
131.08514404296875	312.0
132.08782958984375	156.0
132.15382385253906	180.0
133.0591278076172	180.0
133.10169982910156	148.0
134.10714721679688	480.0
134.61793518066406	216.0
135.08029174804688	680.0
136.08001708984375	176.0
136.1184844970703	140.0
137.0961151123047	136.0
141.0685272216797	340.0
142.07330322265625	160.0
143.08688354492188	716.0
144.09310913085938	128.0
145.101318359375	960.0
147.0802764892578	552.0
147.11534118652344	912.0
148.09503173828125	176.0
148.11956787109375	336.0
149.07029724121094	188.0
149.09837341308594	536.0
149.13140869140625	112.0
151.07765197753906	200.0
151.10960388183594	236.0
151.13563537597656	176.0
151.5298309326172	188.0
152.5507354736328	188.0
153.07232666015625	200.0
153.09246826171875	160.0
154.07618713378906	264.0
155.0871124267578	300.0
156.09133911132812	360.0
157.10206604003906	608.0
158.10897827148438	284.0
159.0811767578125	200.0
159.118896484375	408.0
159.4209442138672	132.0
160.12786865234375	324.0
161.09326171875	432.0
161.1317596435547	168.0
162.09835815429688	384.0
163.11508178710938	424.0
164.11813354492188	236.0
165.09298706054688	332.0
165.1204376220703	168.0
166.06777954101562	196.0
167.085693359375	212.0
169.10211181640625	444.0
170.11119079589844	172.0
171.08096313476562	140.0
171.1171417236328	824.0
172.1227264404297	128.0
173.0951385498047	340.0
173.13047790527344	144.0
174.0986785888672	240.0
175.11434936523438	656.0
175.1504364013672	172.0
176.12213134765625	320.0
176.37451171875	156.0
177.091552734375	160.0
177.1277313232422	456.0
179.08389282226562	156.0
179.11441040039062	144.0
180.09976196289062	176.0
181.1007537841797	164.0
182.10670471191406	456.0
183.11753845214844	364.0
185.10304260253906	232.0
185.1353302001953	208.0
187.11349487304688	344.0
187.15188598632812	160.0
188.12393188476562	104.0
188.14930725097656	132.0
189.093017578125	152.0
189.12437438964844	580.0
193.12132263183594	504.0
194.10379028320312	144.0
195.1147003173828	396.0
195.14024353027344	352.0
196.12525939941406	148.0
197.13247680664062	252.0
197.63047790527344	184.0
197.80958557128906	168.0
199.1115264892578	288.0
199.14718627929688	316.0
200.14822387695312	140.0
201.1281280517578	328.0
201.15878295898438	132.0
201.85142517089844	112.0
203.1085205078125	168.0
203.13990783691406	224.0
205.8763885498047	188.0
207.11764526367188	184.0
207.1434326171875	188.0
208.1207733154297	172.0
209.12796020507812	164.0
210.13900756835938	312.0
211.150146484375	272.0
213.1371612548828	236.0
213.164794921875	208.0
214.16848754882812	160.0
215.10447692871094	140.0
215.1451873779297	268.0
215.6916046142578	228.0
216.06884765625	192.0
217.96876525878906	176.0
219.1427764892578	168.0
222.14051818847656	144.0
223.12049865722656	180.0
223.14674377441406	324.0
224.15782165527344	116.0
225.12503051757812	324.0
225.165283203125	120.0
226.13697814941406	132.0
227.10101318359375	144.0
227.1455535888672	424.0
227.17703247070312	208.0
228.1502227783203	176.0
229.15896606445312	524.0
229.60330200195312	196.0
231.11065673828125	156.0
231.14791870117188	140.0
232.14505004882812	148.0
232.2770233154297	152.0
233.15333557128906	164.0
234.1527099609375	100.0
235.15316772460938	312.0
237.03616333007812	168.0
237.13108825683594	156.0
237.14990234375	140.0
238.12828063964844	164.0
239.13987731933594	300.0
240.1522216796875	176.0
241.16053771972656	568.0
242.1660919189453	180.0
242.1996307373047	196.0
243.17503356933594	460.0
244.198486328125	220.0
245.1588592529297	112.0
246.130615234375	208.0
246.16390991210938	200.0
247.17381286621094	204.0
247.38430786132812	164.0
250.14044189453125	392.0
251.13751220703125	184.0
251.17938232421875	404.0
253.15296936035156	148.0
253.17764282226562	264.0
253.1894989013672	344.0
254.16253662109375	116.0
255.14840698242188	136.0
257.1631164550781	184.0
259.1792907714844	144.0
260.1542663574219	156.0
262.08392333984375	172.0
262.1902770996094	144.0
264.1824645996094	144.0
265.1971740722656	380.0
266.16253662109375	148.0
267.1778564453125	324.0
268.17510986328125	128.0
268.7308044433594	140.0
269.18804931640625	284.0
270.1895446777344	136.0
271.17535400390625	172.0
271.2054443359375	372.0
273.0514831542969	140.0
273.17681884765625	148.0
275.1805114746094	116.0
275.34857177734375	188.0
276.0888671875	144.0
278.1695861816406	168.0
281.1975402832031	260.0
282.88311767578125	164.0
283.1643981933594	212.0
283.20379638671875	120.0
284.059326171875	144.0
284.20269775390625	200.0
285.17742919921875	164.0
287.6261291503906	212.0
290.21075439453125	156.0
293.0146789550781	152.0
293.1910400390625	748.0
293.3077697753906	140.0
294.2007751464844	392.0
295.16497802734375	184.0
296.17877197265625	156.0
297.18585205078125	152.0
299.2047119140625	272.0
300.1749267578125	144.0
300.2059631347656	164.0
301.1787109375	524.0
302.1990051269531	152.0
305.88458251953125	164.0
308.9974365234375	324.0
311.2013854980469	2244.0
311.3143005371094	144.0
312.202392578125	240.0
314.1908874511719	156.0
329.0423889160156	148.0
329.21197509765625	3776.0
329.3150939941406	132.0
330.2148742675781	1124.0
330.25860595703125	152.0
330.2911682128906	184.0
331.21417236328125	160.0
345.1477355957031	168.0
345.21014404296875	232.0
346.3513488769531	104.0
347.04022216796875	136.0
347.2221374511719	21556.0
348.22613525390625	3324.0
349.17138671875	128.0
349.2259826660156	672.0
350.1794128417969	184.0
350.2401123046875	272.0
365.2431945800781	152.0
616.2427978515625	160.0
980.208251953125	264.0
1426.8984375	208.0
1502.34521484375	164.0
1532.768798828125	156.0
1622.5247802734375	156.0
1645.3001708984375	180.0
1681.9764404296875	188.0
1732.68310546875	196.0
1968.892578125	200.0
1980.64697265625	264.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079073
PEPMASS=459.139374
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_E2_F11_BD2_01_15724.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=RALTITREXED [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(Cc1ccc2nc(C)nc(O)c2c1)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
INCHI=InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
INCHIAUX=IVTVGDXNLFLDRM-HNNXBMFYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079073
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079073
SCANS=1057
44.94467544555664	176.0
45.58340072631836	168.0
46.72323226928711	176.0
46.77494430541992	196.0
47.42238998413086	160.0
48.461456298828125	140.0
49.586036682128906	168.0
50.05384063720703	160.0
51.409053802490234	200.0
51.49185562133789	148.0
51.63191223144531	188.0
51.713462829589844	164.0
52.77079772949219	148.0
53.158992767333984	168.0
54.264644622802734	196.0
55.34169006347656	172.0
56.89375686645508	204.0
57.76932144165039	152.0
58.13143539428711	148.0
59.17862319946289	148.0
59.48370361328125	172.0
60.01991271972656	196.0
63.867393493652344	156.0
64.50041961669922	204.0
65.0691146850586	148.0
65.54520416259766	164.0
65.81941986083984	148.0
66.15409088134766	176.0
66.50584411621094	180.0
69.47445678710938	208.0
72.31989288330078	168.0
72.41300964355469	208.0
73.88372802734375	148.0
74.420166015625	240.0
74.92064666748047	168.0
75.68229675292969	168.0
77.54105377197266	180.0
78.6844253540039	252.0
80.55445861816406	192.0
81.3531265258789	152.0
82.4012680053711	148.0
83.37068176269531	188.0
87.64196014404297	164.0
88.3738784790039	212.0
88.47681427001953	172.0
89.00929260253906	152.0
90.64094543457031	180.0
90.96146392822266	212.0
91.4176025390625	176.0
91.7242431640625	268.0
92.22241973876953	192.0
92.4117431640625	156.0
92.93754577636719	196.0
95.08705139160156	236.0
95.36614227294922	180.0
97.15677642822266	180.0
99.24542236328125	256.0
99.6602554321289	208.0
100.11776733398438	188.0
101.1720199584961	156.0
101.2020492553711	284.0
101.70121765136719	164.0
101.74054718017578	176.0
101.99848937988281	140.0
102.47744750976562	220.0
102.68305969238281	172.0
104.30284881591797	180.0
104.66497802734375	148.0
104.7729263305664	184.0
104.90742492675781	220.0
105.0501708984375	192.0
105.90254211425781	152.0
106.11771392822266	196.0
107.02174377441406	216.0
108.63792419433594	140.0
108.81224822998047	220.0
109.01996612548828	192.0
109.85279083251953	152.0
110.9276351928711	212.0
111.82241821289062	220.0
111.95504760742188	180.0
114.10699462890625	180.0
114.13037872314453	192.0
115.84629821777344	168.0
119.8519515991211	180.0
120.04813385009766	164.0
120.25975036621094	176.0
120.34270477294922	240.0
120.43660736083984	200.0
120.58736419677734	144.0
122.44345092773438	200.0
125.32545471191406	148.0
125.708984375	208.0
126.16686248779297	160.0
127.43985748291016	184.0
127.7253646850586	180.0
128.317626953125	148.0
129.1441192626953	160.0
130.04995727539062	160.0
131.0582275390625	164.0
131.12620544433594	168.0
131.1695098876953	204.0
131.4819793701172	164.0
132.0450897216797	2196.0
132.36209106445312	220.0
132.44911193847656	172.0
132.5659637451172	140.0
132.94664001464844	188.0
133.001708984375	208.0
133.0501251220703	368.0
133.08665466308594	200.0
135.2745361328125	236.0
135.3648223876953	180.0
136.03915405273438	180.0
136.35308837890625	208.0
139.44281005859375	236.0
140.01641845703125	9384.0
140.0592498779297	304.0
140.4003448486328	160.0
140.9462890625	192.0
141.01992797851562	612.0
141.30567932128906	172.0
141.9629364013672	124.0
142.0106964111328	752.0
142.3105926513672	152.0
142.40321350097656	184.0
143.02139282226562	424.0
143.80078125	160.0
145.0613250732422	228.0
145.33145141601562	208.0
145.66122436523438	160.0
147.12294006347656	176.0
148.61135864257812	152.0
149.01438903808594	156.0
149.75389099121094	156.0
150.05850219726562	224.0
150.45372009277344	216.0
151.13072204589844	152.0
151.68418884277344	248.0
153.1880645751953	232.0
155.05821228027344	144.0
156.6661376953125	204.0
159.8584747314453	152.0
160.3319091796875	184.0
161.3386688232422	144.0
161.7867889404297	176.0
162.8949737548828	148.0
165.6140899658203	152.0
166.49635314941406	264.0
166.70957946777344	148.0
167.5998992919922	144.0
167.95567321777344	160.0
168.2834014892578	168.0
168.89845275878906	172.0
170.15267944335938	176.0
171.94615173339844	184.0
172.04534912109375	196.0
172.1471710205078	144.0
172.47373962402344	152.0
172.6399688720703	104.0
172.6903533935547	128.0
172.72215270996094	220.0
172.75091552734375	180.0
172.86865234375	152.0
172.9079132080078	224.0
172.96090698242188	240.0
172.98643493652344	216.0
173.07229614257812	112656.0
173.17007446289062	120.0
173.2890167236328	200.0
173.33804321289062	160.0
173.3592987060547	100.0
173.3831329345703	160.0
173.44967651367188	104.0
173.4998321533203	168.0
173.60580444335938	152.0
173.631591796875	124.0
173.9729461669922	136.0
174.02313232421875	248.0
174.07469177246094	13692.0
175.04141235351562	140.0
175.07559204101562	1376.0
175.24488830566406	140.0
175.33871459960938	260.0
175.35720825195312	324.0
175.38565063476562	232.0
175.4128875732422	152.0
175.4619598388672	240.0
175.51776123046875	188.0
176.07516479492188	140.0
176.41842651367188	136.0
177.01205444335938	164.0
177.94911193847656	128.0
178.31727600097656	216.0
180.9045867919922	224.0
181.31707763671875	164.0
185.07493591308594	172.0
185.28077697753906	204.0
188.5214080810547	172.0
189.27456665039062	108.0
191.8893585205078	244.0
194.65628051757812	208.0
198.1511993408203	224.0
198.33055114746094	176.0
200.0538330078125	132.0
201.06715393066406	152.0
201.82138061523438	172.0
202.0476531982422	172.0
202.8632354736328	220.0
203.0220184326172	160.0
203.40786743164062	224.0
204.96067810058594	188.0
209.0584259033203	152.0
210.07608032226562	184.0
210.16781616210938	164.0
211.08056640625	148.0
212.54916381835938	156.0
218.69216918945312	184.0
219.06907653808594	180.0
219.97732543945312	156.0
221.03834533691406	144.0
224.83316040039062	168.0
226.07635498046875	224.0
226.76516723632812	156.0
226.92404174804688	164.0
228.34739685058594	144.0
228.99447631835938	176.0
231.33456420898438	140.0
234.4356231689453	152.0
239.41375732421875	156.0
240.68113708496094	140.0
241.38873291015625	148.0
241.71043395996094	140.0
243.06280517578125	896.0
243.91549682617188	168.0
244.0681915283203	136.0
244.33529663085938	216.0
248.07969665527344	148.0
249.77223205566406	180.0
254.8525848388672	156.0
256.8263244628906	160.0
257.8544006347656	204.0
258.8813171386719	140.0
261.22430419921875	144.0
263.4485778808594	140.0
265.95489501953125	168.0
267.1181335449219	180.0
269.9163818359375	256.0
270.0766296386719	176.0
270.58056640625	148.0
271.1603698730469	196.0
274.2333679199219	176.0
276.030517578125	192.0
278.04339599609375	160.0
283.80438232421875	156.0
284.0904846191406	376.0
285.0911865234375	292.0
286.1009826660156	1952.0
286.9041748046875	224.0
287.1074523925781	368.0
288.10540771484375	160.0
289.1064147949219	144.0
291.9968566894531	184.0
295.03839111328125	188.0
298.0751037597656	168.0
298.1094665527344	156.0
298.1472473144531	156.0
301.3553161621094	216.0
304.535400390625	216.0
307.6344299316406	204.0
310.3135986328125	132.0
310.7539978027344	104.0
310.8118896484375	140.0
310.9862365722656	148.0
311.0649719238281	208.0
311.1903076171875	148.0
311.2720947265625	148.0
311.3388366699219	164.0
311.369140625	116.0
311.470947265625	116.0
311.534423828125	116.0
311.58990478515625	100.0
311.6495361328125	140.0
311.69012451171875	192.0
311.7201843261719	152.0
311.7766418457031	320.0
311.8064270019531	164.0
311.859619140625	176.0
311.9021911621094	144.0
311.96014404296875	188.0
312.00701904296875	112.0
312.0821228027344	138292.0
312.2034606933594	116.0
312.3120422363281	100.0
312.3545837402344	124.0
312.46551513671875	148.0
312.5687255859375	96.0
312.65936279296875	680.0
312.705322265625	548.0
312.86859130859375	232.0
312.91064453125	212.0
312.974365234375	124.0
313.0843505859375	28260.0
313.16937255859375	164.0
313.229736328125	140.0
313.33135986328125	144.0
313.56988525390625	108.0
313.65814208984375	116.0
313.7026062011719	148.0
313.7984313964844	240.0
313.8656311035156	208.0
313.95770263671875	116.0
314.0789489746094	7188.0
314.1639404296875	112.0
314.55096435546875	124.0
314.5838317871094	120.0
314.6824645996094	212.0
314.7542724609375	232.0
314.9260559082031	132.0
314.9604187011719	144.0
315.0799865722656	1112.0
315.1751708984375	96.0
315.3282470703125	236.0
315.4470520019531	188.0
315.9020080566406	140.0
316.07659912109375	144.0
316.12396240234375	144.0
316.3865966796875	116.0
317.0369873046875	152.0
317.6080322265625	116.0
330.00177001953125	156.0
330.0921936035156	768.0
330.13555908203125	188.0
331.0845031738281	216.0
332.0985107421875	152.0
332.81549072265625	104.0
338.3479309082031	144.0
349.62091064453125	212.0
353.5992126464844	148.0
360.2810363769531	184.0
361.5287780761719	172.0
365.49420166015625	188.0
371.7687072753906	216.0
376.6013488769531	144.0
408.4911193847656	172.0
412.042724609375	156.0
414.1368408203125	248.0
416.5921630859375	164.0
423.0977783203125	152.0
424.0858459472656	112.0
439.1216735839844	152.0
439.24261474609375	192.0
441.1179504394531	432.0
446.11431884765625	248.0
458.1286926269531	224.0
458.301025390625	160.0
459.135009765625	1892.0
459.2798156738281	112.0
460.133544921875	632.0
460.30267333984375	240.0
461.1268615722656	300.0
462.3195495605469	516.0
494.1509704589844	168.0
570.1505737304688	176.0
571.1314697265625	144.0
596.171630859375	168.0
597.177978515625	152.0
627.384521484375	144.0
703.4083251953125	144.0
1226.6759033203125	172.0
1267.48193359375	248.0
1296.9866943359375	184.0
1439.3980712890625	152.0
1525.2427978515625	196.0
1573.262939453125	164.0
1592.8701171875	176.0
1646.987548828125	148.0
1664.8865966796875	244.0
1670.942138671875	196.0
1687.572021484375	208.0
1705.36083984375	152.0
1716.227294921875	188.0
1774.8232421875	200.0
1776.5089111328125	140.0
1788.129638671875	176.0
1795.712158203125	216.0
1796.935302734375	172.0
1832.3148193359375	204.0
1842.4842529296875	188.0
1850.4549560546875	152.0
1853.924072265625	140.0
1867.256591796875	172.0
1887.963134765625	172.0
1890.281494140625	140.0
1918.5091552734375	248.0
1931.2579345703125	144.0
1965.8818359375	144.0
1987.747802734375	228.0
1992.0006103515625	196.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079074
PEPMASS=376.152496
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_E2_F11_BD2_01_15724.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Haloperidol [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3
INCHI=InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
INCHIAUX=LNEPOXFFQSENCJ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079074
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079074
SCANS=1154
44.945552825927734	244.0
45.191890716552734	172.0
45.46659469604492	228.0
45.841796875	180.0
46.7613639831543	148.0
46.79948043823242	160.0
48.0025749206543	152.0
48.43377685546875	240.0
49.166500091552734	188.0
50.15530776977539	208.0
50.707950592041016	152.0
50.98896408081055	292.0
51.220882415771484	148.0
52.330772399902344	148.0
52.38838195800781	140.0
52.696041107177734	188.0
52.81855392456055	212.0
53.43064880371094	212.0
53.84324645996094	212.0
54.27200698852539	148.0
54.8005256652832	240.0
55.8328971862793	144.0
55.88942337036133	160.0
55.95937728881836	164.0
56.16801452636719	148.0
56.33669662475586	168.0
56.51460647583008	152.0
57.66804504394531	200.0
57.79810333251953	156.0
58.70039749145508	164.0
58.94463348388672	140.0
59.55744171142578	160.0
59.92048645019531	164.0
59.95438766479492	144.0
59.989837646484375	140.0
60.128658294677734	196.0
60.145633697509766	156.0
60.174964904785156	144.0
61.06911087036133	140.0
61.08777618408203	180.0
62.16271209716797	160.0
62.908748626708984	168.0
63.21062088012695	184.0
63.68622970581055	172.0
63.84516525268555	140.0
64.06959533691406	176.0
64.26409912109375	148.0
64.38063049316406	240.0
65.89698791503906	228.0
66.04571533203125	140.0
66.18003845214844	176.0
66.33393859863281	176.0
66.42475128173828	172.0
66.5708236694336	164.0
67.44244384765625	152.0
67.47187042236328	164.0
67.5405502319336	156.0
68.12410736083984	140.0
68.18983459472656	188.0
68.22764587402344	176.0
68.83396911621094	208.0
68.84718322753906	196.0
69.25862121582031	208.0
69.3915786743164	140.0
69.45458984375	148.0
70.52021789550781	196.0
70.90851593017578	148.0
71.35670471191406	140.0
71.53166198730469	180.0
71.59578704833984	140.0
71.71694946289062	228.0
72.09330749511719	180.0
72.2234878540039	176.0
73.15337371826172	156.0
73.35779571533203	212.0
73.68887329101562	184.0
75.90933990478516	168.0
76.11235809326172	208.0
76.25724792480469	148.0
76.51399230957031	180.0
77.11929321289062	196.0
79.15656280517578	140.0
79.22386932373047	140.0
79.81132507324219	196.0
80.43843078613281	184.0
81.33702087402344	172.0
81.46745300292969	208.0
82.43926239013672	220.0
82.83304595947266	192.0
83.40345001220703	156.0
85.23100280761719	148.0
85.30818939208984	232.0
85.94571685791016	176.0
86.0986328125	144.0
86.13926696777344	204.0
86.3592300415039	212.0
86.58317565917969	184.0
87.74452209472656	208.0
88.31220245361328	228.0
88.4562759399414	144.0
88.529296875	192.0
88.87136840820312	204.0
90.06021118164062	144.0
90.14253997802734	200.0
90.25296783447266	232.0
91.88448333740234	248.0
92.49982452392578	176.0
92.5955581665039	164.0
92.61854553222656	216.0
92.63387298583984	196.0
92.77759552001953	164.0
92.94253540039062	148.0
93.24018096923828	128.0
93.40938568115234	196.0
93.57681274414062	188.0
94.53807067871094	188.0
94.83050537109375	144.0
95.02837371826172	236.0
95.05158996582031	148.0
95.09428405761719	204.0
96.03207397460938	196.0
96.05938720703125	172.0
96.08084106445312	140.0
96.57505798339844	160.0
98.56063079833984	200.0
98.58434295654297	176.0
98.84536743164062	176.0
99.03343963623047	172.0
99.17015075683594	152.0
99.54907989501953	156.0
99.82131958007812	172.0
100.56041717529297	156.0
101.66716003417969	208.0
102.00859832763672	148.0
102.02267456054688	156.0
102.17149353027344	140.0
102.98384857177734	188.0
103.15357971191406	188.0
103.88257598876953	152.0
104.80966186523438	152.0
105.27678680419922	208.0
105.52403259277344	260.0
105.63241577148438	164.0
107.42781066894531	152.0
108.51148223876953	152.0
108.65666198730469	188.0
108.72098541259766	168.0
109.04397583007812	480.0
109.32364654541016	168.0
110.02397918701172	176.0
110.04747009277344	176.0
110.92979431152344	180.0
111.46707916259766	148.0
112.30918884277344	156.0
112.3640365600586	220.0
112.43577575683594	172.0
112.51809692382812	172.0
112.90266418457031	176.0
113.03958892822266	332.0
113.48709869384766	172.0
113.51254272460938	180.0
114.08580017089844	160.0
114.78841400146484	180.0
115.37983703613281	196.0
115.73500061035156	160.0
116.26017761230469	216.0
117.07278442382812	176.0
118.53307342529297	172.0
119.18185424804688	188.0
121.09940338134766	184.0
121.30318450927734	216.0
122.09800720214844	168.0
122.12461853027344	196.0
122.62533569335938	284.0
122.8858642578125	180.0
122.96739959716797	136.0
123.02508544921875	70108.0
123.07536315917969	152.0
123.1097183227539	180.0
123.25128936767578	264.0
123.35929870605469	280.0
123.39556121826172	108.0
123.58279418945312	240.0
123.84988403320312	192.0
123.96878051757812	144.0
124.02822875976562	3888.0
124.91524505615234	124.0
125.01808166503906	180.0
125.05533599853516	120.0
125.74420928955078	160.0
125.98368072509766	204.0
126.18482208251953	156.0
126.48905944824219	164.0
128.35829162597656	160.0
128.91358947753906	176.0
130.0845489501953	204.0
130.5389404296875	188.0
132.0623779296875	176.0
133.0408172607422	148.0
133.20616149902344	164.0
133.2222442626953	160.0
133.92611694335938	204.0
133.99752807617188	196.0
134.23263549804688	164.0
135.0593719482422	376.0
135.979248046875	144.0
136.22305297851562	144.0
137.01756286621094	280.0
137.03497314453125	216.0
137.07923889160156	168.0
138.34982299804688	168.0
141.67745971679688	164.0
143.08468627929688	160.0
143.14051818847656	168.0
143.3072509765625	180.0
143.5312957763672	148.0
147.06259155273438	668.0
147.36453247070312	168.0
148.50469970703125	168.0
149.07533264160156	168.0
150.66627502441406	172.0
151.1356964111328	140.0
151.33885192871094	164.0
154.9792938232422	156.0
155.7433624267578	196.0
155.8533477783203	132.0
157.13491821289062	240.0
160.2740478515625	192.0
160.85409545898438	152.0
162.74269104003906	212.0
163.05592346191406	928.0
163.73951721191406	180.0
164.06565856933594	264.0
164.55638122558594	116.0
164.5861358642578	188.0
164.60911560058594	220.0
164.72488403320312	172.0
164.78599548339844	112.0
164.85272216796875	132.0
164.87478637695312	148.0
164.9259033203125	156.0
164.9690704345703	248.0
164.9984893798828	132.0
165.019287109375	352.0
165.07225036621094	120444.0
165.14942932128906	128.0
165.24899291992188	208.0
165.34156799316406	108.0
165.39768981933594	116.0
165.41314697265625	156.0
165.43441772460938	176.0
165.46615600585938	188.0
165.49143981933594	228.0
165.5423583984375	128.0
165.9934844970703	100.0
166.0753173828125	11352.0
166.11192321777344	112.0
166.54782104492188	172.0
166.849853515625	104.0
166.9141845703125	136.0
166.94874572753906	188.0
167.04510498046875	156.0
167.07826232910156	788.0
167.19003295898438	132.0
167.2405548095703	104.0
167.28543090820312	140.0
167.31578063964844	224.0
167.386962890625	124.0
167.41453552246094	148.0
167.53659057617188	124.0
167.92495727539062	152.0
169.13401794433594	176.0
171.0704803466797	196.0
173.05343627929688	332.0
173.98081970214844	184.0
175.0238494873047	148.0
178.7508544921875	228.0
179.20616149902344	176.0
179.50469970703125	156.0
182.049560546875	200.0
187.29652404785156	176.0
187.87713623046875	156.0
189.05203247070312	152.0
192.06007385253906	176.0
192.12388610839844	192.0
193.07406616210938	184.0
194.07369995117188	724.0
194.09710693359375	1328.0
195.53765869140625	156.0
196.08363342285156	396.0
196.55201721191406	212.0
198.45120239257812	160.0
203.6294708251953	248.0
204.11477661132812	108.0
206.09756469726562	4040.0
206.9745330810547	176.0
207.10289001464844	748.0
208.09849548339844	148.0
212.08392333984375	296.0
213.24334716796875	160.0
216.75991821289062	144.0
217.0677032470703	196.0
220.7574462890625	144.0
221.09469604492188	140.0
221.20420837402344	148.0
222.13169860839844	160.0
223.287109375	140.0
227.29010009765625	152.0
227.3411102294922	164.0
229.55514526367188	164.0
233.44032287597656	284.0
236.3105926513672	192.0
236.62889099121094	208.0
236.96884155273438	176.0
237.47463989257812	140.0
237.89501953125	160.0
239.46009826660156	140.0
239.50013732910156	236.0
240.96234130859375	140.0
243.19813537597656	192.0
247.17784118652344	232.0
249.84786987304688	156.0
250.0807342529297	152.0
257.183837890625	188.0
260.8385925292969	180.0
261.25982666015625	168.0
262.6224060058594	156.0
262.8556213378906	108.0
263.293701171875	144.0
264.1763000488281	248.0
267.31024169921875	172.0
268.87774658203125	188.0
271.576904296875	152.0
272.4927673339844	148.0
277.4830017089844	192.0
282.21746826171875	140.0
283.88836669921875	212.0
285.5818786621094	188.0
285.6482849121094	148.0
289.0625915527344	208.0
292.16839599609375	284.0
296.0445251464844	212.0
299.89923095703125	164.0
300.7166748046875	176.0
302.2198791503906	140.0
302.64215087890625	148.0
302.9018859863281	160.0
304.60504150390625	176.0
305.5993347167969	164.0
306.7241516113281	172.0
307.8266296386719	204.0
308.86810302734375	152.0
312.2879333496094	148.0
313.4144287109375	148.0
314.9101867675781	216.0
316.0767822265625	148.0
318.65802001953125	252.0
319.6571350097656	148.0
323.3435363769531	204.0
324.1457214355469	144.0
324.5897216796875	132.0
327.12384033203125	116.0
331.65997314453125	152.0
336.114990234375	188.0
339.5059814453125	180.0
341.5811462402344	176.0
341.86810302734375	200.0
342.1347351074219	136.0
343.65155029296875	156.0
343.70318603515625	144.0
343.8840026855469	168.0
344.97735595703125	144.0
346.62432861328125	156.0
349.0482482910156	172.0
355.101806640625	152.0
356.705078125	160.0
358.09307861328125	288.0
358.1369934082031	12832.0
359.1411437988281	3300.0
360.0735168457031	168.0
360.13446044921875	2988.0
360.3132629394531	212.0
360.5098571777344	144.0
361.1354064941406	512.0
361.4031066894531	128.0
361.9633483886719	140.0
362.0514221191406	156.0
362.0806884765625	176.0
363.0367126464844	148.0
363.07464599609375	168.0
363.8525085449219	140.0
365.3117980957031	144.0
367.0751953125	152.0
367.9489440917969	144.0
368.27734375	148.0
370.5534362792969	144.0
371.8994140625	144.0
371.97430419921875	140.0
372.77117919921875	180.0
373.2831726074219	104.0
373.482421875	172.0
373.6901550292969	396.0
374.0807800292969	128.0
374.1736145019531	188.0
374.48077392578125	116.0
374.6546630859375	152.0
374.72967529296875	180.0
374.9569396972656	144.0
375.03411865234375	156.0
375.18756103515625	164.0
375.2228698730469	196.0
375.35858154296875	120.0
375.4375305175781	132.0
375.5589599609375	96.0
375.6059875488281	180.0
375.70220947265625	172.0
375.7322692871094	144.0
375.7476806640625	176.0
375.80255126953125	224.0
375.8802795410156	128.0
375.9376525878906	156.0
376.0321350097656	336.0
376.0853576660156	300.0
376.1495361328125	174708.0
376.2720947265625	280.0
376.4328308105469	288.0
376.5042724609375	272.0
376.5566711425781	296.0
376.6156311035156	132.0
376.6977233886719	208.0
376.73291015625	308.0
376.7843017578125	1464.0
376.91168212890625	196.0
377.0514831542969	128.0
377.09991455078125	148.0
377.15191650390625	36804.0
377.28350830078125	100.0
377.3619689941406	192.0
377.42510986328125	176.0
377.48834228515625	136.0
377.7450866699219	136.0
377.8253173828125	256.0
377.854736328125	224.0
377.92315673828125	96.0
378.0293884277344	116.0
378.1468505859375	57692.0
378.3277587890625	176.0
378.44744873046875	160.0
378.5897521972656	204.0
378.6374206542969	140.0
378.78204345703125	140.0
378.8725280761719	96.0
378.97027587890625	168.0
379.0401306152344	120.0
379.14910888671875	8500.0
379.2392883300781	416.0
379.2835998535156	136.0
379.33807373046875	228.0
379.3905944824219	200.0
379.4253234863281	164.0
379.4847717285156	136.0
379.5122375488281	332.0
379.5583801269531	128.0
379.5980224609375	160.0
379.6739501953125	172.0
379.7191162109375	264.0
379.7472839355469	188.0
379.77777099609375	148.0
379.8311767578125	108.0
380.0359802246094	108.0
380.08746337890625	648.0
380.14385986328125	476.0
380.2052001953125	108.0
380.238037109375	196.0
380.50897216796875	96.0
380.68804931640625	96.0
380.7214050292969	148.0
380.9049377441406	124.0
380.94384765625	176.0
381.0675354003906	96.0
381.3543395996094	96.0
381.3947448730469	96.0
381.4624328613281	204.0
381.4969787597656	144.0
381.68072509765625	244.0
381.8912048339844	248.0
382.13995361328125	96.0
385.8361511230469	120.0
388.1425476074219	140.0
388.1788330078125	140.0
393.1669616699219	140.0
396.041259765625	164.0
431.6716003417969	172.0
473.4502258300781	144.0
530.2252807617188	180.0
576.2810668945312	128.0
1023.2808227539062	192.0
1039.51611328125	140.0
1042.2193603515625	140.0
1072.75439453125	168.0
1087.26171875	220.0
1112.89404296875	160.0
1171.4149169921875	188.0
1186.83984375	184.0
1195.9010009765625	220.0
1226.4884033203125	240.0
1278.6744384765625	160.0
1297.1092529296875	152.0
1319.5556640625	176.0
1331.4610595703125	180.0
1355.380859375	176.0
1370.6129150390625	156.0
1436.7874755859375	220.0
1457.4112548828125	156.0
1483.9189453125	184.0
1484.6014404296875	200.0
1497.6898193359375	152.0
1540.2510986328125	148.0
1545.35595703125	148.0
1556.007080078125	156.0
1564.332275390625	192.0
1575.7674560546875	208.0
1611.40087890625	204.0
1613.5108642578125	176.0
1617.118408203125	160.0
1632.21630859375	172.0
1636.4163818359375	180.0
1637.020263671875	188.0
1640.8636474609375	156.0
1646.689697265625	160.0
1647.4974365234375	252.0
1648.1922607421875	212.0
1652.94677734375	144.0
1653.812744140625	180.0
1665.1148681640625	220.0
1665.9840087890625	200.0
1670.154052734375	140.0
1692.1466064453125	144.0
1695.51318359375	284.0
1698.563232421875	180.0
1703.3077392578125	156.0
1703.4637451171875	184.0
1706.9320068359375	160.0
1718.63671875	228.0
1718.7110595703125	168.0
1723.343017578125	140.0
1724.6488037109375	240.0
1726.0623779296875	156.0
1729.777099609375	192.0
1731.3916015625	196.0
1733.189208984375	172.0
1739.10400390625	192.0
1763.3055419921875	144.0
1765.4373779296875	148.0
1772.326416015625	160.0
1818.8458251953125	144.0
1821.9283447265625	280.0
1824.596923828125	184.0
1825.7447509765625	148.0
1829.6673583984375	144.0
1832.418212890625	160.0
1832.8868408203125	204.0
1838.29296875	172.0
1849.3946533203125	168.0
1897.6710205078125	176.0
1900.508544921875	196.0
1905.3519287109375	164.0
1912.83935546875	152.0
1918.24755859375	140.0
1926.8446044921875	224.0
1927.3775634765625	180.0
1942.944580078125	160.0
1948.4842529296875	172.0
1952.8267822265625	160.0
1957.1739501953125	152.0
1971.179443359375	148.0
1973.8243408203125	160.0
1980.2491455078125	212.0
1991.0869140625	196.0
1992.454833984375	256.0
1995.414306640625	160.0
1996.61474609375	196.0
2000.1824951171875	176.0
2001.15283203125	168.0
2002.8359375	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079075
PEPMASS=229.089203
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_E2_F11_BD2_01_15724.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=501-36-0 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
INCHI=InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
INCHIAUX=LUKBXSAWLPMMSZ-OWOJBTEDSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079075
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079075
SCANS=1142
48.190303802490234	140.0
55.62340545654297	208.0
57.35108947753906	180.0
59.25371170043945	152.0
62.088985443115234	144.0
62.519439697265625	148.0
67.49149322509766	140.0
67.78941345214844	192.0
71.24075317382812	172.0
71.26763153076172	312.0
71.5821762084961	144.0
73.6275863647461	148.0
79.0875244140625	204.0
82.20271301269531	216.0
83.17822265625	168.0
91.00708770751953	148.0
91.0531005859375	224.0
92.06009674072266	264.0
92.99627685546875	168.0
107.04957580566406	2592.0
108.05558013916016	368.0
118.94949340820312	164.0
119.04935455322266	876.0
120.05647277832031	240.0
121.02653503417969	316.0
121.06437683105469	164.0
122.06942749023438	172.0
128.06295776367188	172.0
128.93846130371094	168.0
129.072509765625	228.0
131.04551696777344	148.0
133.0660858154297	348.0
134.9946746826172	164.0
135.04446411132812	3916.0
135.65684509277344	108.0
135.97926330566406	156.0
136.0514373779297	656.0
136.07211303710938	168.0
137.0536651611328	392.0
141.06948852539062	200.0
142.0729217529297	172.0
144.05792236328125	156.0
145.06668090820312	512.0
145.93641662597656	136.0
145.96414184570312	272.0
147.04371643066406	144.0
148.1023712158203	176.0
151.0565185546875	300.0
152.0593719482422	160.0
153.0729217529297	500.0
154.07664489746094	192.0
155.0852813720703	396.0
156.0851593017578	172.0
156.53868103027344	204.0
157.038818359375	136.0
157.0624237060547	188.0
158.0694122314453	148.0
159.0833282470703	296.0
159.25270080566406	144.0
160.05239868164062	188.0
161.4883270263672	148.0
163.9392852783203	136.0
165.07057189941406	1972.0
166.07569885253906	288.0
167.10824584960938	152.0
168.05535888671875	476.0
169.05380249023438	164.0
170.07752990722656	184.0
173.05972290039062	156.0
178.48220825195312	164.0
178.85731506347656	168.0
181.0651397705078	400.0
182.07342529296875	572.0
183.08164978027344	660.0
184.0851593017578	348.0
185.06088256835938	168.0
186.96995544433594	232.0
187.07627868652344	308.0
188.0217742919922	196.0
192.05218505859375	168.0
193.06890869140625	748.0
193.85751342773438	152.0
193.89907836914062	236.0
194.06748962402344	176.0
196.05845642089844	144.0
196.0835418701172	148.0
197.0552978515625	164.0
198.0616912841797	224.0
201.09207153320312	248.0
201.2084197998047	220.0
208.97511291503906	172.0
210.07638549804688	168.0
211.0760498046875	1124.0
212.11138916015625	156.0
212.6711883544922	172.0
227.07733154296875	176.0
228.07980346679688	496.0
229.05445861816406	176.0
229.0869903564453	19940.0
229.22512817382812	196.0
229.35618591308594	220.0
230.08956909179688	2272.0
231.0919189453125	740.0
231.38168334960938	172.0
231.4205780029297	156.0
231.6072540283203	144.0
231.9405517578125	140.0
256.09979248046875	200.0
284.10443115234375	168.0
350.2577819824219	148.0
1529.303955078125	140.0
1542.931640625	200.0
1607.8477783203125	228.0
1687.7520751953125	168.0
1735.700927734375	180.0
1768.650146484375	236.0
1818.311279296875	168.0
1842.4769287109375	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079076
PEPMASS=489.23584
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=34.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_E2_F11_BD2_01_15724.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=VARDENAFIL CITRATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCc1nc(C)c2c(O)nc(nn12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC)CC4
INCHI=InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
INCHIAUX=SECKRCOLJRRGGV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079076
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079076
SCANS=1120
44.970027923583984	172.0
45.79595947265625	180.0
46.512596130371094	180.0
47.47859573364258	152.0
47.69140625	148.0
51.6905632019043	192.0
52.074771881103516	140.0
53.82130813598633	140.0
53.891414642333984	156.0
55.617427825927734	168.0
55.98019027709961	148.0
56.88474655151367	188.0
56.983863830566406	168.0
57.864662170410156	152.0
58.76594543457031	180.0
58.80867385864258	180.0
58.89876174926758	184.0
59.891178131103516	184.0
60.32477951049805	168.0
61.34156036376953	164.0
62.02622604370117	184.0
62.4596061706543	196.0
63.04296112060547	172.0
63.19792175292969	144.0
64.29438018798828	152.0
64.36302185058594	248.0
64.57396697998047	180.0
64.64275360107422	156.0
66.4247055053711	284.0
74.81731414794922	180.0
75.22933197021484	160.0
75.27249145507812	160.0
75.8763427734375	212.0
79.32305145263672	168.0
79.56253814697266	236.0
80.25462341308594	164.0
81.45907592773438	160.0
83.02394104003906	148.0
83.58161926269531	176.0
85.28736877441406	148.0
85.99703979492188	176.0
86.83145904541016	144.0
90.07337188720703	164.0
91.39286041259766	200.0
94.0780029296875	176.0
94.42387390136719	192.0
94.62611389160156	128.0
95.02824401855469	152.0
95.04764556884766	148.0
95.7961654663086	184.0
96.91366577148438	144.0
97.07649993896484	276.0
98.0842514038086	760.0
99.09226989746094	5520.0
99.1207275390625	340.0
100.09444427490234	1184.0
100.51445770263672	148.0
102.54998779296875	172.0
103.14946746826172	168.0
103.19596862792969	212.0
108.5842514038086	140.0
109.17587280273438	160.0
110.41883087158203	196.0
111.09406280517578	812.0
111.93187713623047	152.0
112.10047149658203	672.0
113.10800170898438	8008.0
113.83077239990234	200.0
113.86687469482422	208.0
114.0514144897461	140.0
114.11361694335938	2992.0
114.27500915527344	192.0
114.65829467773438	164.0
114.92271423339844	148.0
115.12077331542969	520.0
115.20835876464844	136.0
116.12815856933594	156.0
116.95645141601562	152.0
120.71415710449219	200.0
123.27513885498047	164.0
123.64002227783203	160.0
124.98255920410156	156.0
125.09606170654297	148.0
127.3744888305664	212.0
135.00613403320312	144.0
136.0418243408203	168.0
136.10218811035156	164.0
136.7484588623047	180.0
137.0581817626953	172.0
138.0011444091797	140.0
138.37782287597656	156.0
138.5113067626953	172.0
141.7318572998047	180.0
143.07138061523438	184.0
144.98941040039062	164.0
146.0915069580078	200.0
146.52484130859375	232.0
148.0669403076172	212.0
149.49339294433594	172.0
151.05242919921875	152.0
152.20428466796875	200.0
154.10084533691406	152.0
155.0684051513672	148.0
155.66380310058594	152.0
157.2171630859375	164.0
158.48915100097656	124.0
161.42869567871094	144.0
162.07298278808594	204.0
162.16168212890625	156.0
162.78729248046875	172.0
163.09317016601562	144.0
163.15162658691406	148.0
163.7368621826172	152.0
163.7699737548828	156.0
164.54006958007812	176.0
164.6754150390625	144.0
165.05874633789062	156.0
166.09812927246094	576.0
166.6943817138672	224.0
166.89207458496094	184.0
169.84906005859375	144.0
170.2643280029297	172.0
170.7737274169922	276.0
171.9200439453125	160.0
172.39794921875	140.0
173.0709686279297	1376.0
173.74281311035156	172.0
174.0724334716797	144.0
175.1185302734375	140.0
175.6061248779297	144.0
175.86468505859375	156.0
175.88580322265625	156.0
177.06954956054688	596.0
177.15089416503906	208.0
178.0745849609375	152.0
178.20033264160156	140.0
178.8358917236328	164.0
179.06661987304688	140.0
180.8889617919922	120.0
182.31271362304688	168.0
183.0847930908203	180.0
185.09388732910156	172.0
185.34579467773438	208.0
185.549072265625	200.0
185.70603942871094	180.0
186.3904571533203	184.0
187.08599853515625	120.0
187.6043243408203	208.0
187.77337646484375	172.0
187.95614624023438	212.0
188.133544921875	164.0
190.68092346191406	168.0
192.11776733398438	436.0
193.10989379882812	172.0
193.79364013671875	204.0
194.2649383544922	144.0
194.3317413330078	256.0
195.7435302734375	192.0
196.5072479248047	176.0
196.9874267578125	148.0
197.08241271972656	176.0
198.33531188964844	108.0
199.06277465820312	148.0
201.31558227539062	168.0
202.21458435058594	200.0
206.09629821777344	188.0
207.01736450195312	140.0
207.7510986328125	180.0
210.6383819580078	152.0
211.8967742919922	144.0
212.04022216796875	116.0
212.12281799316406	152.0
212.57444763183594	100.0
213.08157348632812	160.0
214.09707641601562	168.0
215.11318969726562	144.0
216.0775604248047	152.0
216.75685119628906	144.0
217.11264038085938	240.0
217.2787322998047	160.0
218.7539825439453	204.0
219.12799072265625	144.0
220.2299041748047	124.0
220.86276245117188	116.0
221.98326110839844	148.0
223.46841430664062	164.0
223.6344451904297	136.0
224.72274780273438	144.0
225.0685577392578	172.0
226.07933044433594	160.0
227.08815002441406	260.0
227.13995361328125	156.0
228.1046600341797	204.0
228.2659454345703	236.0
228.60911560058594	164.0
228.69337463378906	144.0
231.1196746826172	176.0
232.78683471679688	184.0
233.10275268554688	144.0
237.0912628173828	172.0
238.03302001953125	204.0
238.05758666992188	152.0
239.08743286132812	156.0
239.3121337890625	144.0
239.7711181640625	152.0
239.92831420898438	152.0
240.0675811767578	96.0
240.10153198242188	112.0
240.715087890625	176.0
241.0742950439453	160.0
241.51861572265625	172.0
241.76612854003906	176.0
242.0803985595703	300.0
243.0918731689453	172.0
243.1265869140625	212.0
244.2948455810547	144.0
245.26638793945312	244.0
245.6468048095703	156.0
248.26153564453125	224.0
248.33993530273438	156.0
248.62229919433594	164.0
248.8294677734375	252.0
249.16236877441406	172.0
249.25347900390625	148.0
249.4923553466797	188.0
249.60552978515625	148.0
249.64956665039062	176.0
249.70932006835938	160.0
250.0963134765625	172.0
250.53085327148438	148.0
251.1360626220703	216.0
251.30795288085938	132.0
251.39476013183594	152.0
251.7122344970703	140.0
251.9982452392578	168.0
252.2042236328125	132.0
252.24752807617188	148.0
252.8516387939453	164.0
253.04579162597656	168.0
253.07058715820312	332.0
253.10935974121094	148.0
253.14767456054688	156.0
253.30575561523438	120.0
253.3519287109375	152.0
253.6339569091797	140.0
253.87490844726562	148.0
253.93833923339844	160.0
254.07913208007812	1328.0
254.49049377441406	236.0
254.95013427734375	148.0
255.08567810058594	292.0
255.12591552734375	952.0
255.28643798828125	168.0
255.3262176513672	172.0
255.9212646484375	144.0
255.9791259765625	116.0
256.09759521484375	564.0
257.1317443847656	148.0
257.72137451171875	148.0
258.0773620605469	164.0
258.1549072265625	140.0
259.10986328125	148.0
261.6587219238281	176.0
261.7327880859375	140.0
262.0493469238281	128.0
262.5802917480469	172.0
263.34197998046875	172.0
263.374267578125	220.0
263.5971984863281	144.0
263.7264709472656	172.0
264.11688232421875	128.0
265.1071472167969	188.0
265.4909362792969	176.0
266.0896301269531	360.0
266.12774658203125	148.0
267.08465576171875	176.0
267.1221923828125	644.0
267.5965270996094	180.0
268.10101318359375	244.0
268.12335205078125	176.0
268.1361083984375	276.0
268.2654113769531	148.0
268.8612365722656	184.0
269.1373291015625	552.0
269.2497253417969	148.0
270.0533447265625	100.0
270.1088562011719	188.0
270.14764404296875	180.0
270.4005432128906	168.0
270.4513854980469	208.0
270.652587890625	160.0
271.3045654296875	184.0
271.63250732421875	164.0
271.7506103515625	176.0
272.1280517578125	180.0
272.9396057128906	164.0
273.0711364746094	176.0
273.13104248046875	152.0
273.6470031738281	164.0
273.7128601074219	172.0
273.8742370605469	152.0
274.424560546875	196.0
274.54327392578125	148.0
274.7085876464844	196.0
274.8731384277344	148.0
275.2098083496094	148.0
275.54339599609375	224.0
275.705322265625	156.0
277.1712646484375	144.0
277.4297790527344	264.0
277.7348327636719	144.0
278.12451171875	144.0
279.1302490234375	160.0
279.85302734375	148.0
280.4280090332031	236.0
281.1019287109375	188.0
281.3219299316406	156.0
281.5805969238281	188.0
281.9587707519531	152.0
282.04345703125	164.0
282.112548828125	2092.0
283.1193542480469	22032.0
283.2183837890625	140.0
283.31793212890625	116.0
284.02569580078125	144.0
284.1242370605469	4880.0
284.2103271484375	124.0
284.855224609375	156.0
285.0221862792969	160.0
285.134765625	2184.0
286.0445556640625	188.0
286.0656433105469	100.0
286.1341552734375	604.0
286.1915283203125	176.0
286.2438049316406	180.0
287.08074951171875	164.0
287.1230163574219	108.0
287.6653747558594	136.0
288.0841064453125	220.0
288.11663818359375	124.0
288.5738525390625	108.0
288.6531066894531	140.0
288.7579345703125	168.0
288.85601806640625	156.0
289.4685974121094	172.0
289.7158508300781	176.0
292.1437072753906	132.0
293.1051940917969	164.0
293.1391906738281	616.0
293.18157958984375	168.0
293.9317932128906	196.0
294.13934326171875	144.0
294.76837158203125	116.0
295.0959167480469	192.0
295.11859130859375	236.0
295.15203857421875	292.0
295.1990966796875	224.0
295.46929931640625	156.0
296.12982177734375	136.0
296.1641845703125	152.0
296.4999694824219	208.0
296.8846130371094	100.0
297.0211181640625	156.0
297.0973205566406	464.0
297.1334533691406	1304.0
297.4122619628906	144.0
297.84490966796875	252.0
298.1381530761719	348.0
298.3775329589844	152.0
298.642333984375	140.0
299.11590576171875	6424.0
299.44769287109375	184.0
299.9300537109375	208.0
300.1178894042969	736.0
301.0720520019531	348.0
301.12652587890625	576.0
301.4520568847656	188.0
301.5350036621094	140.0
301.6110534667969	144.0
302.06402587890625	144.0
302.1272277832031	148.0
303.185791015625	204.0
304.23675537109375	180.0
304.60137939453125	180.0
304.7403564453125	144.0
305.4768981933594	128.0
305.67218017578125	176.0
306.5179443359375	176.0
306.8878173828125	176.0
307.9336853027344	180.0
308.11981201171875	144.0
308.4028625488281	160.0
308.6317443847656	136.0
308.7839660644531	148.0
309.06732177734375	156.0
309.2571105957031	156.0
309.5328674316406	152.0
309.9742126464844	172.0
310.10369873046875	244.0
310.14324951171875	172.0
310.4649963378906	188.0
310.7520446777344	124.0
311.1511535644531	12556.0
311.3550109863281	104.0
311.8236389160156	180.0
311.98883056640625	188.0
312.0310363769531	188.0
312.08038330078125	796.0
312.1550598144531	4168.0
312.2515869140625	116.0
312.31573486328125	120.0
313.0851745605469	512.0
313.1627197265625	2536.0
313.38604736328125	148.0
313.7928466796875	132.0
313.8266296386719	160.0
314.053466796875	148.0
314.0910949707031	276.0
314.1708068847656	476.0
314.29437255859375	188.0
315.0668640136719	136.0
315.1082458496094	1188.0
315.1697692871094	228.0
315.26898193359375	104.0
315.85015869140625	172.0
315.8761291503906	140.0
316.0606689453125	144.0
316.1138610839844	404.0
316.67132568359375	140.0
316.8935852050781	160.0
316.9192810058594	144.0
317.11065673828125	172.0
317.29498291015625	204.0
317.4935302734375	160.0
318.11090087890625	188.0
318.5867614746094	148.0
318.9029846191406	152.0
319.596435546875	176.0
320.0440979003906	140.0
320.3687438964844	160.0
321.4545593261719	112.0
322.8067321777344	184.0
323.2001953125	204.0
323.99859619140625	164.0
324.1168518066406	184.0
324.1610412597656	168.0
324.72625732421875	180.0
324.7872314453125	152.0
324.9895935058594	128.0
325.14739990234375	268.0
325.910888671875	160.0
326.09149169921875	876.0
326.1618347167969	192.0
326.4242248535156	172.0
327.09716796875	412.0
327.143310546875	972.0
327.8771057128906	204.0
328.0442199707031	220.0
328.1148681640625	276.0
328.6040344238281	152.0
329.0801086425781	124.0
329.1291198730469	240.0
329.16326904296875	420.0
329.2325439453125	164.0
329.29254150390625	104.0
329.4488220214844	176.0
330.16229248046875	520.0
330.2440490722656	144.0
331.08837890625	288.0
332.082763671875	144.0
332.79522705078125	144.0
333.1026611328125	288.0
334.5366516113281	144.0
334.65679931640625	140.0
334.78424072265625	140.0
335.0865783691406	144.0
335.3926696777344	148.0
335.4327697753906	160.0
335.7973937988281	160.0
335.9286804199219	152.0
336.1074523925781	232.0
336.85223388671875	156.0
338.1177978515625	124.0
338.49072265625	164.0
338.7965087890625	204.0
338.9485778808594	160.0
339.1797790527344	892.0
339.7074890136719	156.0
340.18243408203125	232.0
340.22491455078125	144.0
340.8735046386719	136.0
340.9485168457031	156.0
341.1081237792969	124.0
341.1984558105469	160.0
341.4856872558594	144.0
342.08135986328125	156.0
342.1365966796875	156.0
342.1970520019531	132.0
342.72955322265625	164.0
342.8806457519531	176.0
342.9912109375	140.0
343.12933349609375	300.0
343.9022521972656	260.0
344.03143310546875	156.0
344.0646667480469	148.0
344.14862060546875	2080.0
344.888427734375	152.0
345.15155029296875	400.0
345.59844970703125	188.0
345.63916015625	160.0
346.1495666503906	132.0
346.6092834472656	148.0
346.64263916015625	152.0
346.92803955078125	168.0
347.08416748046875	384.0
347.5165100097656	148.0
348.0932922363281	116.0
348.2564392089844	168.0
349.09368896484375	372.0
349.18560791015625	160.0
349.55389404296875	196.0
350.1053161621094	124.0
350.61895751953125	144.0
351.10357666015625	180.0
351.5263671875	128.0
352.29425048828125	164.0
352.5445861816406	140.0
353.2774353027344	140.0
354.1934814453125	372.0
354.8858337402344	136.0
355.0790710449219	148.0
355.1965637207031	220.0
355.4654541015625	168.0
355.9196472167969	148.0
356.15625	140.0
356.4004211425781	160.0
356.48309326171875	168.0
357.42694091796875	176.0
357.8258972167969	164.0
358.18975830078125	180.0
358.7249450683594	192.0
358.9034729003906	152.0
359.1065979003906	120.0
359.5037536621094	120.0
359.8693542480469	144.0
360.1333312988281	288.0
360.2923583984375	164.0
360.3565979003906	152.0
361.14093017578125	136.0
361.4152526855469	160.0
361.87701416015625	188.0
361.9716796875	172.0
362.6335144042969	108.0
362.8468933105469	180.0
363.9281921386719	244.0
364.0497131347656	152.0
364.1104736328125	156.0
364.2054138183594	148.0
364.47894287109375	168.0
364.6879577636719	140.0
365.1806945800781	304.0
366.0691833496094	128.0
366.1831970214844	148.0
366.2746276855469	204.0
366.3698425292969	180.0
367.19317626953125	144.0
367.60137939453125	164.0
368.2004089355469	312.0
369.3158264160156	192.0
370.4037780761719	180.0
372.0238952636719	112.0
372.1768798828125	176.0
372.4405517578125	160.0
372.88238525390625	144.0
373.0054016113281	140.0
373.04766845703125	140.0
373.609130859375	192.0
373.92950439453125	152.0
374.1479187011719	164.0
374.28692626953125	112.0
374.8489074707031	192.0
375.1131591796875	348.0
375.1649475097656	148.0
375.63153076171875	144.0
375.8966979980469	192.0
375.9595031738281	172.0
376.11163330078125	312.0
376.3300476074219	148.0
376.6776123046875	156.0
376.86773681640625	112.0
376.9398193359375	148.0
377.1289367675781	2796.0
378.1335144042969	640.0
378.2088317871094	164.0
378.2436828613281	144.0
378.38824462890625	116.0
379.1252746582031	148.0
379.6617126464844	160.0
380.5347595214844	172.0
381.20672607421875	168.0
382.2245178222656	184.0
382.688720703125	104.0
383.22412109375	164.0
383.25347900390625	164.0
383.50286865234375	140.0
383.5769348144531	140.0
384.20477294921875	168.0
384.52862548828125	140.0
385.1572570800781	160.0
385.75762939453125	184.0
385.9114685058594	172.0
386.30645751953125	120.0
386.6896667480469	120.0
387.1639404296875	100.0
387.328125	156.0
388.0374450683594	148.0
388.4452819824219	164.0
388.55511474609375	152.0
388.7002868652344	308.0
388.9710998535156	164.0
389.59820556640625	100.0
390.22821044921875	176.0
391.1384582519531	184.0
391.361328125	168.0
392.1334533691406	140.0
392.49395751953125	108.0
393.01678466796875	208.0
393.814208984375	176.0
395.328369140625	160.0
395.72418212890625	176.0
396.2224426269531	236.0
396.944580078125	160.0
397.0516357421875	152.0
397.0833740234375	188.0
397.2251892089844	144.0
397.5232238769531	124.0
397.6824645996094	184.0
399.2358703613281	144.0
399.53814697265625	156.0
399.5819091796875	168.0
399.7530212402344	300.0
400.7006530761719	156.0
401.5377502441406	148.0
401.6653747558594	140.0
401.7730712890625	176.0
402.761962890625	244.0
403.8266906738281	140.0
404.16094970703125	120.0
404.6065368652344	224.0
404.7666931152344	160.0
405.119140625	140.0
405.17059326171875	340.0
406.05706787109375	336.0
406.1661071777344	240.0
406.49835205078125	160.0
406.6749267578125	148.0
406.956298828125	132.0
407.184814453125	240.0
407.647705078125	124.0
407.8135986328125	96.0
408.4106750488281	188.0
408.5393981933594	144.0
408.963623046875	164.0
409.46112060546875	160.0
409.85992431640625	148.0
410.3960266113281	160.0
410.8777770996094	176.0
410.9405212402344	156.0
410.9727783203125	156.0
411.0292663574219	148.0
411.0978698730469	164.0
412.110107421875	128.0
412.2083435058594	156.0
412.2810974121094	148.0
412.7580871582031	208.0
414.5756530761719	232.0
414.8634033203125	156.0
415.0580139160156	164.0
415.6258850097656	148.0
415.8085021972656	148.0
416.1535339355469	204.0
416.52716064453125	164.0
416.6894226074219	136.0
416.9090576171875	200.0
417.031005859375	156.0
417.37652587890625	140.0
417.5229187011719	168.0
417.7402648925781	156.0
417.8361511230469	188.0
417.90753173828125	108.0
418.0273742675781	144.0
418.1476745605469	164.0
418.60540771484375	188.0
418.7544860839844	152.0
418.8660583496094	160.0
419.2396545410156	128.0
420.0930480957031	168.0
420.1664123535156	152.0
420.60003662109375	112.0
420.7835693359375	96.0
421.5202331542969	104.0
422.02069091796875	144.0
422.056640625	116.0
422.990234375	148.0
423.25750732421875	244.0
423.4119567871094	172.0
424.15582275390625	152.0
424.99017333984375	160.0
425.024658203125	196.0
425.2632751464844	144.0
426.1188049316406	152.0
426.1905517578125	164.0
426.5775146484375	156.0
426.6452941894531	156.0
427.0295715332031	96.0
428.5869445800781	124.0
428.65380859375	184.0
428.85986328125	232.0
429.68048095703125	260.0
429.8785400390625	160.0
430.8143005371094	136.0
431.2974548339844	112.0
431.9153137207031	184.0
432.82965087890625	184.0
432.9955749511719	144.0
433.6128845214844	180.0
433.7745361328125	192.0
434.18499755859375	156.0
434.5583190917969	176.0
435.6878967285156	148.0
436.5645751953125	180.0
436.631103515625	156.0
437.7101135253906	212.0
437.8692932128906	164.0
439.3135070800781	140.0
439.6449890136719	116.0
440.0062561035156	200.0
440.1297302246094	192.0
440.25103759765625	168.0
440.5909423828125	168.0
441.1927185058594	248.0
441.2512512207031	156.0
442.71417236328125	120.0
443.26031494140625	160.0
443.6165771484375	212.0
443.9603576660156	180.0
444.1271667480469	136.0
444.2330017089844	156.0
444.6651611328125	156.0
444.8078918457031	156.0
444.92962646484375	140.0
445.0555725097656	192.0
445.66461181640625	152.0
446.206787109375	196.0
446.5473937988281	176.0
446.5852355957031	176.0
446.6651611328125	208.0
447.1900939941406	132.0
448.6315612792969	152.0
450.4377746582031	148.0
450.6246643066406	152.0
450.7842102050781	204.0
450.9278869628906	176.0
451.5367126464844	156.0
451.74395751953125	144.0
452.0062561035156	156.0
452.1670837402344	144.0
452.5268859863281	148.0
452.8402404785156	144.0
454.4723205566406	220.0
454.54443359375	176.0
455.1556701660156	140.0
455.7290954589844	144.0
455.81591796875	128.0
456.43890380859375	164.0
457.083740234375	128.0
457.700927734375	120.0
458.1839599609375	148.0
458.46942138671875	164.0
458.546142578125	148.0
459.5354309082031	164.0
459.765869140625	212.0
460.24395751953125	144.0
460.735107421875	156.0
461.0555725097656	180.0
461.19464111328125	4060.0
461.5315856933594	168.0
461.6112976074219	216.0
462.0860900878906	184.0
462.1998291015625	1208.0
462.2523498535156	172.0
462.42156982421875	120.0
463.0221252441406	124.0
463.194580078125	228.0
463.8504333496094	144.0
463.98333740234375	152.0
464.01763916015625	144.0
464.17626953125	164.0
464.7176818847656	124.0
466.6967468261719	160.0
467.0290832519531	144.0
468.1339416503906	144.0
468.6422119140625	140.0
468.8864440917969	148.0
469.4064636230469	168.0
470.1557312011719	152.0
470.328369140625	140.0
470.8896789550781	148.0
471.06427001953125	168.0
471.34759521484375	160.0
471.3951110839844	176.0
471.61553955078125	160.0
472.45440673828125	140.0
473.5451965332031	216.0
473.76177978515625	180.0
474.122802734375	144.0
474.51153564453125	156.0
474.61126708984375	184.0
475.66546630859375	168.0
476.2169189453125	180.0
476.3190612792969	100.0
476.93780517578125	96.0
477.04144287109375	100.0
477.1250915527344	156.0
477.2685546875	152.0
478.9949645996094	108.0
479.29876708984375	160.0
479.4276428222656	140.0
479.91583251953125	188.0
480.3345031738281	152.0
480.53955078125	148.0
480.7275085449219	156.0
481.00469970703125	116.0
481.3807678222656	116.0
481.438720703125	96.0
481.58111572265625	152.0
481.6235046386719	196.0
481.7357177734375	168.0
482.33001708984375	152.0
482.4393005371094	148.0
482.6588134765625	172.0
482.9932556152344	140.0
483.59521484375	108.0
483.9573974609375	260.0
484.0602722167969	220.0
484.09912109375	212.0
484.1607666015625	184.0
484.3973388671875	164.0
484.573486328125	160.0
484.7502136230469	148.0
484.7852783203125	196.0
484.86669921875	152.0
484.9494934082031	112.0
485.0424499511719	108.0
485.29180908203125	136.0
485.3678283691406	236.0
485.4205017089844	268.0
485.57440185546875	304.0
485.6473693847656	172.0
485.7041015625	112.0
485.79071044921875	100.0
485.8682861328125	212.0
485.91180419921875	192.0
485.99884033203125	108.0
486.0509033203125	108.0
486.10015869140625	240.0
486.214599609375	108.0
486.3387145996094	132.0
486.4496154785156	232.0
486.54193115234375	260.0
486.6349182128906	216.0
486.7373046875	124.0
486.8225402832031	248.0
486.8690490722656	244.0
486.92498779296875	432.0
486.9763488769531	168.0
487.0429382324219	320.0
487.154296875	248.0
487.21728515625	1460.0
487.3144226074219	176.0
487.3496398925781	296.0
487.37939453125	256.0
487.4254455566406	400.0
487.5341796875	424.0
487.6136779785156	200.0
487.7027893066406	244.0
487.7652587890625	232.0
487.80194091796875	184.0
487.83697509765625	332.0
487.8720397949219	296.0
487.9404602050781	196.0
487.98822021484375	224.0
488.0413513183594	328.0
488.0673828125	344.0
488.11572265625	272.0
488.1577453613281	308.0
488.2171630859375	664.0
488.3278503417969	96.0
488.4506530761719	264.0
488.5320129394531	220.0
488.5631408691406	408.0
488.6070556640625	340.0
488.65179443359375	436.0
488.7007751464844	444.0
488.73516845703125	472.0
488.80914306640625	516.0
488.8416442871094	456.0
488.862548828125	532.0
488.9199523925781	544.0
488.9792785644531	472.0
489.0356140136719	896.0
489.0632629394531	712.0
489.0953674316406	1352.0
489.2308654785156	255300.0
489.485107421875	116.0
489.5406799316406	320.0
489.6414794921875	1408.0
489.7101745605469	720.0
489.7806396484375	684.0
489.8992004394531	1064.0
489.96820068359375	9988.0
490.02972412109375	864.0
490.1221618652344	604.0
490.1555480957031	400.0
490.2332763671875	199300.0
490.392822265625	284.0
490.4476013183594	268.0
490.50048828125	148.0
490.54071044921875	100.0
490.64520263671875	1572.0
490.7190246582031	556.0
490.75830078125	516.0
490.8575134277344	164.0
490.911865234375	264.0
490.9627990722656	524.0
491.013916015625	456.0
491.0738830566406	396.0
491.11810302734375	612.0
491.155517578125	320.0
491.2306823730469	69480.0
491.3364562988281	140.0
491.3633117675781	476.0
491.3831787109375	284.0
491.5023193359375	132.0
491.5652160644531	108.0
491.6230773925781	148.0
491.69219970703125	388.0
491.82122802734375	152.0
491.886474609375	240.0
491.9765319824219	148.0
492.04339599609375	284.0
492.1053771972656	100.0
492.150390625	152.0
492.23040771484375	7464.0
492.3096008300781	204.0
492.3801574707031	188.0
492.40350341796875	176.0
492.5122375488281	260.0
492.6337585449219	144.0
492.6765441894531	324.0
492.7318420410156	376.0
492.78173828125	532.0
492.8460998535156	316.0
492.9169616699219	324.0
492.9455871582031	332.0
493.02545166015625	680.0
493.08355712890625	280.0
493.1230163574219	392.0
493.15924072265625	632.0
493.22918701171875	1116.0
493.2795715332031	460.0
493.33648681640625	456.0
493.427734375	228.0
493.4821472167969	240.0
493.5553894042969	184.0
493.6020812988281	228.0
493.71478271484375	164.0
493.8223876953125	112.0
493.8759460449219	128.0
493.9160461425781	124.0
493.9940490722656	172.0
494.1053771972656	152.0
494.1792297363281	212.0
494.2252197265625	112.0
494.3187561035156	112.0
494.37066650390625	216.0
494.4051208496094	204.0
494.43975830078125	388.0
494.49969482421875	212.0
494.6115417480469	128.0
494.8082580566406	212.0
494.8752136230469	116.0
494.9695739746094	116.0
495.064208984375	144.0
495.1380615234375	140.0
495.19970703125	116.0
495.3294372558594	96.0
495.6954345703125	108.0
495.9231262207031	124.0
496.17791748046875	124.0
496.90386962890625	144.0
499.66015625	100.0
500.7310485839844	108.0
500.77191162109375	100.0
503.079345703125	148.0
503.2958679199219	216.0
503.8735046386719	96.0
505.28271484375	96.0
505.65704345703125	104.0
506.22259521484375	160.0
506.46575927734375	112.0
506.9364318847656	180.0
507.0769348144531	120.0
507.1436462402344	116.0
507.54766845703125	136.0
508.02423095703125	144.0
508.7033386230469	120.0
509.9413757324219	96.0
510.7290954589844	180.0
511.14111328125	148.0
511.3492736816406	184.0
511.4546813964844	172.0
513.8845825195312	112.0
518.4260864257812	152.0
523.1831665039062	104.0
552.5120239257812	144.0
586.2847900390625	192.0
614.1909790039062	100.0
616.0765380859375	140.0
625.5015258789062	144.0
633.3108520507812	164.0
636.0184326171875	148.0
638.5205078125	148.0
666.6369018554688	108.0
668.3988037109375	140.0
689.8033447265625	100.0
697.6663818359375	144.0
729.8324584960938	116.0
785.026123046875	124.0
817.7947998046875	156.0
888.3919677734375	96.0
989.1655883789062	120.0
1390.311767578125	156.0
1430.9683837890625	144.0
1432.570068359375	104.0
1468.73828125	156.0
1494.5755615234375	104.0
1535.1614990234375	160.0
1562.6392822265625	184.0
1575.766357421875	180.0
1576.0982666015625	260.0
1627.121337890625	140.0
1654.904541015625	140.0
1655.0745849609375	148.0
1665.0732421875	160.0
1665.7554931640625	148.0
1686.8443603515625	232.0
1733.8427734375	164.0
1740.7945556640625	196.0
1773.90087890625	144.0
1792.1378173828125	152.0
1798.935302734375	224.0
1845.9798583984375	140.0
1846.1595458984375	184.0
1857.6622314453125	176.0
1863.594482421875	164.0
1877.2376708984375	176.0
1885.412841796875	172.0
1889.27783203125	160.0
1905.9154052734375	164.0
1914.1962890625	204.0
1916.4522705078125	172.0
1923.1583251953125	256.0
1944.44384765625	160.0
1975.388427734375	152.0
1979.1497802734375	140.0
1993.90185546875	140.0
1997.9920654296875	176.0
2000.79541015625	268.0
2000.9022216796875	196.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079077
PEPMASS=245.122421
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_E2_F11_BD2_01_15724.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=VARDENAFIL CITRATE [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCc1nc(C)c2c(O)nc(nn12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC)CC4
INCHI=InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
INCHIAUX=SECKRCOLJRRGGV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079077
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079077
SCANS=1131
46.602210998535156	180.0
47.820674896240234	152.0
47.876625061035156	188.0
48.09910202026367	196.0
48.61118698120117	196.0
49.92576217651367	144.0
50.38527297973633	164.0
51.414737701416016	208.0
52.07044219970703	160.0
57.462615966796875	164.0
57.642295837402344	240.0
58.48400115966797	196.0
58.93846130371094	156.0
62.053016662597656	188.0
62.35266876220703	184.0
63.22321701049805	168.0
63.46875	196.0
64.60112762451172	140.0
64.64752960205078	228.0
64.97439575195312	148.0
66.60973358154297	168.0
67.28555297851562	176.0
69.14800262451172	172.0
69.24899291992188	300.0
69.49102020263672	152.0
69.61219024658203	156.0
69.67364501953125	216.0
70.38482666015625	192.0
70.63385009765625	176.0
71.17349243164062	144.0
71.28435516357422	152.0
71.76744842529297	180.0
73.61022186279297	160.0
75.46944427490234	140.0
76.2582015991211	164.0
76.72820281982422	152.0
77.47793579101562	156.0
77.60061645507812	152.0
77.97802734375	160.0
78.59790802001953	140.0
81.01774597167969	156.0
81.21492767333984	184.0
81.4608383178711	200.0
82.16111755371094	192.0
82.82453918457031	212.0
82.98710632324219	136.0
83.64892578125	172.0
83.7581787109375	176.0
87.10055541992188	148.0
88.32145690917969	156.0
88.41126251220703	164.0
89.58477020263672	164.0
89.62245178222656	160.0
92.3390121459961	176.0
92.40787506103516	148.0
92.56865692138672	140.0
93.32274627685547	156.0
93.62677764892578	156.0
94.44123840332031	172.0
95.047607421875	164.0
95.69096374511719	148.0
95.99492645263672	160.0
96.06693267822266	416.0
96.18611907958984	208.0
96.40148162841797	120.0
96.5573501586914	140.0
98.05534362792969	160.0
98.09771728515625	368.0
98.86505126953125	168.0
99.09159088134766	4768.0
100.00822448730469	248.0
100.09518432617188	412.0
100.31896209716797	152.0
100.6321792602539	140.0
100.68209838867188	152.0
100.93588256835938	152.0
101.09991455078125	188.0
101.14794921875	236.0
101.4704818725586	168.0
101.76741790771484	216.0
101.79472351074219	96.0
102.28514862060547	168.0
103.05646514892578	180.0
103.38566589355469	120.0
104.514892578125	168.0
104.88291931152344	164.0
105.51779174804688	148.0
105.82467651367188	172.0
105.99058532714844	280.0
106.06436920166016	140.0
106.14842224121094	164.0
106.22225189208984	156.0
107.60518646240234	172.0
109.06463623046875	208.0
110.38533020019531	152.0
110.43761444091797	180.0
110.83536529541016	168.0
111.01388549804688	216.0
112.02239990234375	164.0
112.15936279296875	284.0
112.90042877197266	276.0
113.10687255859375	604.0
114.11448669433594	3460.0
115.12184143066406	784.0
115.34979248046875	200.0
116.07006072998047	440.0
117.5771255493164	244.0
118.61964416503906	160.0
119.11003875732422	216.0
119.49047088623047	192.0
120.44092559814453	148.0
120.68568420410156	244.0
121.03353118896484	180.0
121.06835174560547	144.0
121.35786437988281	196.0
122.03514862060547	516.0
122.07368469238281	144.0
122.21886444091797	192.0
123.04316711425781	224.0
123.11161804199219	184.0
125.04704284667969	204.0
125.25411224365234	208.0
125.33208465576172	212.0
127.09402465820312	204.0
128.65597534179688	180.0
128.91571044921875	228.0
128.96092224121094	180.0
130.3024139404297	304.0
130.68209838867188	156.0
131.0586700439453	160.0
131.5070343017578	152.0
131.5846405029297	164.0
132.04354858398438	440.0
132.50633239746094	196.0
133.07052612304688	176.0
133.13482666015625	204.0
133.86380004882812	144.0
133.9190673828125	252.0
134.3016815185547	176.0
134.6501922607422	184.0
135.0665740966797	364.0
135.19346618652344	208.0
135.7517547607422	156.0
136.0508575439453	1728.0
136.08477783203125	140.0
137.05911254882812	244.0
137.08778381347656	148.0
137.92861938476562	156.0
138.06422424316406	296.0
138.41734313964844	176.0
139.06460571289062	184.0
139.45358276367188	104.0
140.01666259765625	252.0
140.14163208007812	144.0
141.2772216796875	196.0
142.0660858154297	240.0
142.8228759765625	128.0
144.0462646484375	248.0
144.06346130371094	736.0
145.03968811035156	232.0
145.06365966796875	156.0
145.0828399658203	156.0
145.53387451171875	140.0
145.7764892578125	144.0
146.38710021972656	224.0
146.67660522460938	228.0
147.0770721435547	132.0
147.1566619873047	160.0
148.0465087890625	148.0
148.08419799804688	276.0
148.21363830566406	200.0
149.06874084472656	312.0
149.09207153320312	180.0
149.25009155273438	140.0
149.55661010742188	176.0
150.06686401367188	184.0
150.10757446289062	152.0
150.29013061523438	192.0
150.62948608398438	236.0
150.7516326904297	176.0
151.73805236816406	196.0
152.08169555664062	280.0
152.9216766357422	208.0
154.06089782714844	456.0
154.3875274658203	204.0
154.42709350585938	180.0
155.06097412109375	144.0
155.43040466308594	252.0
155.95603942871094	152.0
156.04885864257812	204.0
156.0762176513672	200.0
156.220458984375	144.0
156.35980224609375	272.0
156.54310607910156	2112.0
156.60877990722656	140.0
157.047119140625	640.0
157.0725860595703	328.0
157.53892517089844	372.0
158.0517120361328	196.0
158.07752990722656	160.0
159.05555725097656	280.0
159.1043701171875	164.0
159.17214965820312	152.0
159.36807250976562	176.0
159.5264129638672	140.0
160.0702362060547	132.0
163.5483856201172	144.0
164.08074951171875	316.0
165.0876007080078	352.0
165.11163330078125	164.0
165.47828674316406	140.0
166.09793090820312	1324.0
167.07833862304688	160.0
167.10279846191406	256.0
167.22900390625	208.0
167.34999084472656	188.0
168.10006713867188	204.0
168.4047088623047	172.0
169.07431030273438	136.0
169.6856231689453	212.0
170.0487823486328	180.0
171.05467224121094	160.0
171.1718292236328	140.0
171.6982421875	224.0
173.03335571289062	168.0
173.0721893310547	1860.0
174.07855224609375	1772.0
174.3739013671875	228.0
174.55691528320312	136.0
175.05068969726562	336.0
175.08804321289062	196.0
175.24490356445312	176.0
176.0904083251953	236.0
176.2211151123047	144.0
176.57269287109375	144.0
176.84254455566406	168.0
177.07980346679688	216.0
177.10202026367188	176.0
179.00088500976562	164.0
179.1606903076172	232.0
179.2326202392578	164.0
181.054443359375	212.0
181.95310974121094	132.0
182.0771026611328	156.0
183.05642700195312	140.0
183.0753936767578	304.0
183.09548950195312	148.0
184.07135009765625	148.0
184.15541076660156	140.0
185.08128356933594	504.0
185.12631225585938	196.0
185.6384735107422	172.0
186.06297302246094	512.0
187.0684356689453	116.0
187.11114501953125	144.0
187.33718872070312	176.0
187.876953125	160.0
188.07342529296875	152.0
188.1007080078125	176.0
188.1334686279297	168.0
188.19354248046875	144.0
188.41749572753906	140.0
189.93128967285156	148.0
190.90902709960938	144.0
191.72389221191406	196.0
192.09886169433594	144.0
192.25613403320312	160.0
192.9051971435547	152.0
193.61074829101562	156.0
195.1285400390625	180.0
196.08277893066406	348.0
196.5601806640625	180.0
196.64390563964844	156.0
197.06503295898438	272.0
197.29473876953125	160.0
198.07862854003906	296.0
198.10069274902344	440.0
198.32205200195312	152.0
198.5519561767578	160.0
198.58560180664062	156.0
198.9223175048828	152.0
199.03741455078125	316.0
199.07215881347656	380.0
199.0963897705078	176.0
199.208740234375	160.0
200.04318237304688	304.0
200.08169555664062	328.0
200.11294555664062	284.0
200.30860900878906	144.0
200.7680206298828	144.0
201.07418823242188	260.0
201.66864013671875	144.0
202.09848022460938	244.0
202.54824829101562	156.0
202.91566467285156	168.0
203.054443359375	188.0
203.09036254882812	124.0
203.1353759765625	196.0
203.9742889404297	144.0
204.06402587890625	168.0
204.11526489257812	168.0
204.4793243408203	164.0
205.15724182128906	260.0
205.5879364013672	188.0
207.11752319335938	240.0
209.06141662597656	112.0
209.11300659179688	140.0
209.4930877685547	152.0
210.0465545654297	156.0
210.07827758789062	228.0
210.10243225097656	140.0
210.28025817871094	152.0
210.64407348632812	160.0
211.0713653564453	344.0
211.16433715820312	260.0
211.48838806152344	172.0
212.07403564453125	276.0
212.11752319335938	120.0
212.18650817871094	140.0
213.07778930664062	608.0
213.11680603027344	204.0
214.0879364013672	624.0
215.06997680664062	132.0
216.07533264160156	372.0
216.38478088378906	248.0
216.44918823242188	140.0
216.47262573242188	184.0
216.58413696289062	156.0
217.1055145263672	780.0
217.2698516845703	180.0
217.4811248779297	168.0
217.58973693847656	148.0
218.0684356689453	216.0
218.11227416992188	164.0
218.52728271484375	144.0
218.86871337890625	328.0
219.1230010986328	448.0
219.46095275878906	176.0
219.85438537597656	144.0
220.06875610351562	148.0
221.0589599609375	180.0
222.49647521972656	196.0
222.59149169921875	192.0
222.88555908203125	144.0
223.06387329101562	148.0
223.0940399169922	208.0
223.59033203125	196.0
224.08995056152344	132.0
224.38265991210938	232.0
224.61227416992188	212.0
224.84799194335938	148.0
225.0121612548828	176.0
225.08348083496094	676.0
225.11666870117188	140.0
225.18833923339844	144.0
225.32275390625	192.0
225.3974609375	196.0
225.73223876953125	156.0
225.95956420898438	176.0
226.08689880371094	768.0
227.0198974609375	192.0
227.0936279296875	3356.0
227.13006591796875	332.0
227.92825317382812	204.0
228.1003875732422	2064.0
229.04916381835938	104.0
229.1068878173828	432.0
229.6966552734375	236.0
230.0376434326172	208.0
230.09231567382812	940.0
230.4000244140625	204.0
230.54879760742188	116.0
230.59884643554688	340.0
230.65545654296875	364.0
230.73851013183594	304.0
231.00022888183594	132.0
231.033203125	192.0
231.10311889648438	66332.0
231.19024658203125	168.0
231.2133331298828	144.0
231.24729919433594	148.0
231.27481079101562	260.0
231.35446166992188	152.0
231.4767608642578	204.0
231.51022338867188	256.0
231.60377502441406	19388.0
232.06459045410156	156.0
232.10240173339844	3508.0
232.1494903564453	160.0
232.57000732421875	136.0
232.60069274902344	428.0
232.70628356933594	168.0
232.8866424560547	112.0
233.03187561035156	160.0
233.14028930664062	116.0
233.22267150878906	148.0
233.38534545898438	164.0
233.69534301757812	96.0
233.7654571533203	224.0
233.81883239746094	224.0
233.8629608154297	208.0
234.12550354003906	152.0
234.23443603515625	152.0
234.3489990234375	112.0
234.38772583007812	140.0
234.44439697265625	136.0
234.82269287109375	168.0
234.87313842773438	104.0
235.6560516357422	168.0
236.0799560546875	164.0
236.2644500732422	228.0
236.46640014648438	228.0
236.60108947753906	148.0
237.07533264160156	144.0
237.28733825683594	156.0
237.35479736328125	184.0
237.67457580566406	220.0
238.09310913085938	432.0
238.22076416015625	172.0
238.61671447753906	156.0
238.77865600585938	112.0
239.06251525878906	464.0
239.09234619140625	380.0
239.12734985351562	152.0
239.5060577392578	156.0
239.89122009277344	144.0
240.06280517578125	228.0
240.1007843017578	1212.0
240.21192932128906	172.0
240.97789001464844	176.0
241.0736083984375	2384.0
241.10723876953125	1172.0
241.3886260986328	156.0
241.8084716796875	180.0
242.0802459716797	816.0
242.11892700195312	460.0
242.1623077392578	168.0
242.3626708984375	124.0
242.44113159179688	204.0
242.55271911621094	144.0
242.63641357421875	156.0
242.6612091064453	208.0
242.73252868652344	152.0
242.82839965820312	144.0
242.86622619628906	108.0
243.0254364013672	176.0
243.0592803955078	128.0
243.12109375	444.0
243.1782989501953	160.0
243.23558044433594	136.0
243.2989501953125	128.0
243.32760620117188	116.0
243.38922119140625	220.0
243.43478393554688	104.0
243.4715118408203	128.0
243.50682067871094	284.0
243.58143615722656	204.0
243.60610961914062	164.0
243.63787841796875	132.0
243.7254180908203	292.0
243.8380584716797	140.0
243.8888397216797	128.0
243.93157958984375	128.0
243.98486328125	424.0
244.02191162109375	268.0
244.08998107910156	296.0
244.1209716796875	172.0
244.1582794189453	328.0
244.1970672607422	120.0
244.21713256835938	252.0
244.26100158691406	488.0
244.28646850585938	248.0
244.31919860839844	216.0
244.3348388671875	152.0
244.3430633544922	212.0
244.42367553710938	324.0
244.48733520507812	196.0
244.55242919921875	200.0
244.6023712158203	220.0
244.64175415039062	180.0
244.67381286621094	312.0
244.75181579589844	180.0
244.78298950195312	240.0
244.8056182861328	248.0
244.87144470214844	576.0
244.9197998046875	484.0
244.94146728515625	452.0
244.99742126464844	704.0
245.03868103027344	872.0
245.0613250732422	316.0
245.12010192871094	202108.0
245.24061584472656	616.0
245.27964782714844	316.0
245.32740783691406	468.0
245.34861755371094	360.0
245.40792846679688	1080.0
245.46273803710938	856.0
245.49359130859375	316.0
245.56434631347656	316.0
245.62147521972656	130444.0
245.6583251953125	260.0
245.69227600097656	244.0
245.7298126220703	148.0
245.78329467773438	300.0
245.82594299316406	160.0
245.89559936523438	644.0
245.97027587890625	388.0
246.05751037597656	380.0
246.07980346679688	264.0
246.1190948486328	33236.0
246.16629028320312	176.0
246.2276611328125	212.0
246.29476928710938	156.0
246.3645782470703	348.0
246.41200256347656	320.0
246.46945190429688	136.0
246.51800537109375	192.0
246.56935119628906	112.0
246.61915588378906	7828.0
246.69505310058594	240.0
246.7481231689453	200.0
246.82957458496094	204.0
246.87025451660156	168.0
246.89720153808594	228.0
246.93687438964844	204.0
246.97964477539062	120.0
247.05589294433594	232.0
247.08175659179688	184.0
247.1195526123047	816.0
247.1808319091797	868.0
247.2138214111328	316.0
247.25067138671875	136.0
247.28631591796875	188.0
247.3656768798828	244.0
247.3973388671875	140.0
247.41876220703125	360.0
247.4430389404297	124.0
247.4517059326172	208.0
247.47425842285156	220.0
247.50546264648438	176.0
247.53253173828125	148.0
247.5786895751953	148.0
247.6125946044922	480.0
247.6562042236328	124.0
247.71559143066406	276.0
247.79598999023438	328.0
247.82781982421875	248.0
247.8921661376953	420.0
247.9455108642578	236.0
247.96896362304688	236.0
248.00794982910156	132.0
248.05775451660156	320.0
248.09347534179688	176.0
248.12353515625	332.0
248.15219116210938	176.0
248.18800354003906	188.0
248.2595672607422	280.0
248.32876586914062	248.0
248.363525390625	240.0
248.39144897460938	104.0
248.43885803222656	208.0
248.55072021484375	152.0
248.60061645507812	168.0
248.66537475585938	180.0
248.71209716796875	160.0
248.79017639160156	132.0
248.8214111328125	112.0
248.95681762695312	124.0
249.09259033203125	308.0
249.21148681640625	132.0
249.61148071289062	200.0
249.66575622558594	132.0
249.76377868652344	104.0
250.05612182617188	196.0
250.0894012451172	176.0
250.3644561767578	192.0
251.09292602539062	336.0
251.5651092529297	156.0
251.62118530273438	116.0
252.07701110839844	320.0
253.0750732421875	284.0
253.1807861328125	164.0
253.2029571533203	212.0
253.4278564453125	184.0
254.0809326171875	700.0
254.36465454101562	112.0
254.39515686035156	208.0
254.90516662597656	144.0
255.0050048828125	180.0
255.0883331298828	4424.0
255.12428283691406	9056.0
255.22283935546875	184.0
255.47743225097656	160.0
255.84475708007812	208.0
255.93389892578125	164.0
256.09576416015625	7768.0
256.1269836425781	2068.0
256.3784484863281	216.0
256.85809326171875	220.0
256.9239501953125	116.0
257.0708312988281	220.0
257.1006164550781	1124.0
257.1343688964844	296.0
257.314453125	152.0
257.6578369140625	172.0
257.68585205078125	112.0
257.9661560058594	176.0
258.00213623046875	204.0
258.07684326171875	168.0
258.13031005859375	116.0
258.1629943847656	284.0
258.7388610839844	212.0
258.94464111328125	124.0
259.1121826171875	508.0
260.0867004394531	404.0
260.1208801269531	132.0
260.4006652832031	188.0
260.4848327636719	148.0
261.0989990234375	144.0
261.2424621582031	108.0
262.0644226074219	140.0
262.7906494140625	180.0
262.827880859375	148.0
264.05938720703125	172.0
264.1014404296875	256.0
264.5317687988281	260.0
265.6300048828125	1180.0
266.0939025878906	280.0
266.13092041015625	444.0
267.1047668457031	428.0
267.12078857421875	308.0
267.5756530761719	148.0
268.0984191894531	328.0
268.1273498535156	312.0
269.0650329589844	164.0
269.1026611328125	3148.0
269.14166259765625	1208.0
269.3762512207031	236.0
269.51422119140625	192.0
269.9215087890625	192.0
270.1092834472656	744.0
270.1424560546875	312.0
271.0750427246094	252.0
271.1227111816406	328.0
272.0752258300781	140.0
272.0992126464844	176.0
272.1342468261719	212.0
273.0988464355469	124.0
273.1327819824219	140.0
274.0765380859375	164.0
274.1123046875	136.0
275.09417724609375	188.0
275.42437744140625	204.0
275.8869934082031	188.0
278.11297607421875	160.0
279.1258544921875	300.0
279.6918029785156	144.0
280.134765625	176.0
280.7452087402344	160.0
280.81463623046875	160.0
280.971435546875	244.0
281.1060485839844	360.0
281.4620666503906	160.0
282.10699462890625	372.0
282.151611328125	104.0
282.8762512207031	216.0
282.9532470703125	236.0
282.9947509765625	132.0
283.1198425292969	23984.0
283.3944091796875	96.0
283.41796875	200.0
283.6016845703125	112.0
283.84771728515625	116.0
284.0412292480469	168.0
284.12677001953125	30984.0
284.306396484375	212.0
284.8056640625	128.0
284.8392639160156	128.0
285.0900573730469	208.0
285.13055419921875	4616.0
285.17889404296875	156.0
286.0683288574219	232.0
286.1033630371094	272.0
286.1368713378906	388.0
286.54010009765625	140.0
287.0775146484375	472.0
287.11370849609375	3448.0
287.264892578125	184.0
288.0843200683594	580.0
288.1170959472656	860.0
289.11492919921875	260.0
289.15087890625	156.0
290.0023498535156	132.0
290.9326171875	168.0
292.0919494628906	140.0
293.1410827636719	136.0
293.7474365234375	160.0
295.1271667480469	148.0
295.8285217285156	148.0
296.0989990234375	152.0
296.462158203125	200.0
297.1346740722656	632.0
297.6558837890625	224.0
298.1089172363281	396.0
298.6284484863281	264.0
298.8124084472656	168.0
299.11456298828125	4196.0
299.1719665527344	200.0
299.33050537109375	264.0
300.11968994140625	1540.0
301.1308898925781	400.0
302.04315185546875	148.0
302.0995788574219	268.0
302.3095397949219	148.0
304.5283203125	164.0
306.3823547363281	200.0
306.70294189453125	148.0
306.7447509765625	176.0
308.4842834472656	212.0
310.3062744140625	104.0
310.78057861328125	216.0
310.9349670410156	132.0
311.1534118652344	628.0
311.8235168457031	168.0
312.0812072753906	1624.0
312.1588134765625	29124.0
312.3509216308594	168.0
312.6971130371094	112.0
312.8059997558594	116.0
313.0859680175781	844.0
313.1615905761719	4676.0
313.2309265136719	144.0
313.4562072753906	100.0
313.6361389160156	172.0
313.96173095703125	104.0
314.1031188964844	1064.0
314.1642150878906	696.0
314.7021484375	100.0
315.1089172363281	764.0
315.1437072753906	1396.0
315.3100280761719	120.0
315.35150146484375	140.0
315.585693359375	128.0
315.7953186035156	136.0
316.0223083496094	136.0
316.1175231933594	51528.0
316.1856384277344	384.0
316.2142333984375	140.0
316.2376708984375	160.0
316.4747619628906	304.0
316.74822998046875	208.0
316.97332763671875	128.0
317.1202392578125	7816.0
317.169677734375	148.0
317.3848571777344	104.0
317.4414367675781	108.0
318.1229248046875	1200.0
319.0146789550781	184.0
319.1211853027344	228.0
319.2050476074219	108.0
319.4789123535156	196.0
319.519775390625	116.0
319.73272705078125	108.0
320.10382080078125	172.0
323.153564453125	164.0
323.62957763671875	176.0
324.9198303222656	240.0
326.1319885253906	132.0
327.1443176269531	284.0
327.2811584472656	160.0
328.15460205078125	316.0
329.15252685546875	156.0
330.09576416015625	148.0
331.08489990234375	452.0
332.0946044921875	184.0
333.3980712890625	140.0
333.5863952636719	168.0
334.0307312011719	164.0
334.6603088378906	140.0
341.5807800292969	164.0
342.1806335449219	216.0
342.2527160644531	132.0
342.5157470703125	192.0
343.0596008300781	144.0
343.2881774902344	184.0
343.6200866699219	196.0
344.07635498046875	312.0
344.1490783691406	62672.0
344.2614440917969	140.0
344.3090515136719	216.0
344.365966796875	108.0
344.5037536621094	104.0
344.6434631347656	156.0
344.70526123046875	104.0
344.733642578125	132.0
345.0610656738281	216.0
345.1514587402344	12068.0
345.2310791015625	236.0
345.3239440917969	188.0
345.4665222167969	100.0
346.15435791015625	1440.0
346.66717529296875	100.0
346.9591369628906	132.0
347.0833740234375	360.0
347.15057373046875	228.0
347.3318786621094	140.0
347.468017578125	168.0
347.5296936035156	180.0
347.8881530761719	136.0
348.0916748046875	108.0
348.3580322265625	160.0
348.5020751953125	128.0
349.09228515625	532.0
359.114501953125	140.0
371.1878967285156	144.0
373.9217224121094	116.0
374.2189025878906	100.0
377.1278381347656	492.0
393.4310302734375	172.0
394.2051696777344	152.0
398.2461242675781	152.0
403.1224670410156	144.0
432.7384338378906	136.0
453.7341613769531	140.0
461.1960754394531	2560.0
462.2021789550781	408.0
463.2037658691406	188.0
464.199462890625	204.0
469.5946960449219	144.0
491.2206115722656	148.0
637.3690795898438	140.0
829.65478515625	124.0
834.9757080078125	144.0
912.2791748046875	156.0
1161.4825439453125	144.0
1283.8380126953125	140.0
1416.5638427734375	152.0
1507.0150146484375	216.0
1515.4097900390625	144.0
1611.9825439453125	148.0
1693.3157958984375	264.0
1699.111083984375	160.0
1701.0888671875	144.0
1746.8111572265625	212.0
1832.7315673828125	200.0
1860.3560791015625	164.0
1887.4434814453125	164.0
1914.5177001953125	164.0
1946.2864990234375	152.0
1951.6551513671875	160.0
1952.490478515625	144.0
1987.5517578125	184.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079078
PEPMASS=412.150238
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_E2_F11_BD2_01_15724.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="L-694,247" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CS(=O)(=O)Nc1ccc(Cc2noc(n2)c3ccc4[nH]cc(CCN)c4c3)cc1
INCHI=InChI=1S/C20H21N5O3S/c1-29(26,27)25-16-5-2-13(3-6-16)10-19-23-20(28-24-19)14-4-7-18-17(11-14)15(8-9-21)12-22-18/h2-7,11-12,22,25H,8-10,21H2,1H3
INCHIAUX=HKXMQLISPYELRD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079078
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079078
SCANS=1077
45.16770935058594	200.0
45.50542068481445	188.0
45.611549377441406	268.0
45.76356887817383	140.0
46.12917709350586	176.0
46.2427978515625	140.0
46.37010955810547	160.0
46.68235397338867	172.0
46.78303909301758	204.0
46.812992095947266	164.0
46.87020492553711	140.0
47.06389617919922	172.0
47.787593841552734	140.0
48.26344680786133	200.0
48.55009460449219	188.0
49.4431037902832	168.0
49.50469970703125	144.0
50.29766082763672	148.0
51.31254196166992	128.0
51.52033996582031	152.0
51.936378479003906	176.0
52.35513687133789	172.0
53.25472640991211	200.0
53.41461181640625	196.0
53.48882293701172	188.0
54.071197509765625	144.0
54.27042007446289	160.0
54.37457275390625	156.0
54.65525436401367	156.0
54.87575912475586	192.0
54.92780303955078	184.0
56.248470306396484	176.0
56.3037109375	144.0
56.6462287902832	152.0
56.73764419555664	168.0
57.33739471435547	216.0
57.55915069580078	148.0
57.64749526977539	144.0
58.16928482055664	144.0
58.29686737060547	192.0
58.77958679199219	196.0
58.938392639160156	192.0
59.48821258544922	240.0
60.83744812011719	148.0
61.16233444213867	196.0
61.483402252197266	220.0
61.96971130371094	156.0
62.131195068359375	200.0
62.2394905090332	164.0
62.3981819152832	184.0
62.72089385986328	180.0
62.828125	208.0
62.897560119628906	148.0
63.54956817626953	152.0
63.57337188720703	240.0
64.02803802490234	164.0
64.19856262207031	168.0
65.40660095214844	168.0
65.4178695678711	164.0
65.57088470458984	224.0
65.59345245361328	196.0
66.64376831054688	164.0
67.11253356933594	148.0
67.17450714111328	144.0
68.29491424560547	168.0
68.42162322998047	172.0
68.61417388916016	160.0
69.40800476074219	164.0
69.73670959472656	208.0
70.05951690673828	148.0
70.17618560791016	184.0
71.1650161743164	156.0
71.42044830322266	180.0
72.52471923828125	240.0
74.97911071777344	156.0
75.20850372314453	160.0
75.33800506591797	152.0
75.54891204833984	188.0
75.95252990722656	144.0
75.9664077758789	184.0
77.19080352783203	192.0
77.24851989746094	172.0
77.52340698242188	140.0
77.77946472167969	140.0
77.8549575805664	140.0
78.12992095947266	204.0
78.23474884033203	160.0
78.27172088623047	140.0
79.43286895751953	204.0
80.07986450195312	168.0
80.33832550048828	244.0
81.12517547607422	140.0
81.5002670288086	140.0
81.5326156616211	172.0
81.69264221191406	148.0
81.92486572265625	144.0
82.14479064941406	220.0
82.57286071777344	144.0
82.69770050048828	196.0
82.73933410644531	228.0
83.55601501464844	144.0
83.97315979003906	220.0
84.71893310546875	176.0
84.93891143798828	168.0
85.20692443847656	184.0
86.31095886230469	160.0
86.6366958618164	176.0
87.73003387451172	156.0
87.83757019042969	236.0
87.95326232910156	180.0
88.49539947509766	152.0
88.65836334228516	176.0
89.13876342773438	168.0
89.79389190673828	156.0
89.86934661865234	140.0
90.47412872314453	200.0
90.59343719482422	176.0
90.60669708251953	196.0
90.99928283691406	224.0
91.07144927978516	192.0
91.65167236328125	160.0
91.97206115722656	172.0
92.27962493896484	176.0
93.2034683227539	156.0
93.56890106201172	148.0
93.62474060058594	144.0
93.802001953125	184.0
94.59786224365234	168.0
94.82254791259766	212.0
95.38153839111328	144.0
95.43985748291016	176.0
95.64218139648438	156.0
95.89344024658203	196.0
96.17625427246094	160.0
96.85865783691406	180.0
98.15379333496094	160.0
98.49127197265625	164.0
99.20362854003906	196.0
99.38211822509766	148.0
100.12557220458984	236.0
100.1952896118164	176.0
100.23912048339844	176.0
100.48037719726562	156.0
100.70994567871094	160.0
101.40621948242188	148.0
101.87599182128906	164.0
102.91899871826172	144.0
103.3090591430664	176.0
104.018310546875	156.0
104.24171447753906	332.0
104.30471801757812	252.0
104.53046417236328	156.0
105.06063842773438	168.0
105.60968780517578	164.0
105.72630310058594	156.0
106.06544494628906	14236.0
106.18726348876953	148.0
106.26726531982422	160.0
107.01951599121094	216.0
107.04893493652344	336.0
107.06744384765625	1608.0
108.05719757080078	188.0
108.11561584472656	168.0
108.46978759765625	160.0
108.48749542236328	228.0
108.51746368408203	172.0
108.79547119140625	208.0
109.81089782714844	140.0
109.89434051513672	176.0
110.59650421142578	204.0
110.74725341796875	144.0
111.97803497314453	184.0
112.07072448730469	216.0
112.530517578125	188.0
112.75443267822266	144.0
112.88761138916016	164.0
113.0208740234375	168.0
113.29611206054688	152.0
113.79025268554688	160.0
113.94316864013672	156.0
114.03028869628906	156.0
114.93107604980469	184.0
115.05432891845703	1068.0
115.28340148925781	196.0
115.92538452148438	148.0
116.04597473144531	468.0
116.80564880371094	140.0
117.06640625	220.0
117.25995635986328	164.0
117.33324432373047	172.0
118.0646743774414	1020.0
118.8515625	184.0
118.9709243774414	140.0
119.06842041015625	160.0
120.06561279296875	172.0
120.08499145507812	188.0
120.83645629882812	148.0
121.0750503540039	160.0
121.28318786621094	172.0
121.5244140625	188.0
122.05973815917969	432.0
122.14612579345703	172.0
122.66358947753906	148.0
122.86264038085938	152.0
124.3357162475586	140.0
126.27758026123047	192.0
126.7978744506836	172.0
126.98171997070312	180.0
127.1297836303711	148.0
128.0477294921875	148.0
128.08755493164062	152.0
128.31517028808594	152.0
129.06114196777344	120.0
129.7507781982422	172.0
129.8959197998047	176.0
129.9707794189453	188.0
130.04339599609375	164.0
130.06512451171875	1212.0
130.11831665039062	172.0
131.0697021484375	156.0
131.35400390625	152.0
132.0433807373047	144.0
132.06590270996094	496.0
132.24513244628906	156.0
134.27615356445312	176.0
135.34378051757812	152.0
136.2366943359375	168.0
136.73660278320312	144.0
137.0439910888672	140.0
138.04067993164062	180.0
138.7618408203125	140.0
139.1771240234375	156.0
140.02134704589844	288.0
140.0554656982422	288.0
140.83030700683594	232.0
141.05772399902344	160.0
141.67477416992188	184.0
141.70556640625	244.0
142.06527709960938	3836.0
142.0867919921875	240.0
142.7880096435547	148.0
142.80703735351562	140.0
142.97833251953125	180.0
143.0259246826172	144.0
143.07260131835938	1900.0
143.98199462890625	152.0
144.0135040283203	168.0
144.0449981689453	624.0
144.08126831054688	8376.0
144.27828979492188	160.0
145.0518341064453	176.0
145.0832061767578	404.0
145.9950714111328	152.0
146.0706024169922	1860.0
147.07557678222656	736.0
147.39561462402344	164.0
148.06190490722656	192.0
148.08807373046875	152.0
148.60745239257812	196.0
148.81256103515625	164.0
149.06785583496094	152.0
149.32772827148438	156.0
149.93881225585938	144.0
150.92990112304688	140.0
151.3997344970703	156.0
151.85313415527344	148.0
152.18441772460938	164.0
152.34649658203125	184.0
153.6093292236328	212.0
154.0797576904297	228.0
154.37002563476562	180.0
154.9541778564453	156.0
155.05577087402344	164.0
155.1995391845703	140.0
156.04620361328125	164.0
156.07994079589844	904.0
156.25759887695312	144.0
157.05589294433594	408.0
157.07696533203125	508.0
157.49154663085938	148.0
157.97897338867188	196.0
158.06097412109375	10212.0
158.15663146972656	240.0
158.4136505126953	112.0
159.06219482421875	1128.0
159.09043884277344	364.0
159.2272186279297	148.0
159.62930297851562	176.0
160.05926513671875	268.0
160.07489013671875	444.0
160.09988403320312	144.0
160.19436645507812	160.0
160.2957763671875	272.0
160.61656188964844	200.0
160.73765563964844	140.0
160.81588745117188	144.0
160.89666748046875	180.0
161.04425048828125	160.0
161.10879516601562	180.0
161.71060180664062	152.0
162.3820037841797	172.0
162.41497802734375	152.0
162.732177734375	148.0
162.84005737304688	192.0
163.0255584716797	152.0
163.45404052734375	172.0
163.7671661376953	140.0
163.8486785888672	220.0
165.066162109375	160.0
165.73165893554688	140.0
166.5834197998047	152.0
167.0621795654297	404.0
167.59190368652344	144.0
168.0674285888672	1096.0
168.7469024658203	244.0
169.0758056640625	996.0
169.15953063964844	160.0
169.22970581054688	112.0
169.3521270751953	136.0
169.37445068359375	184.0
169.59210205078125	176.0
169.8310089111328	168.0
169.8513946533203	180.0
169.93142700195312	332.0
170.02223205566406	204.0
170.0608673095703	82436.0
170.13133239746094	208.0
170.1863555908203	372.0
170.38015747070312	176.0
170.4827423095703	292.0
170.7913360595703	124.0
170.84759521484375	96.0
171.06365966796875	10268.0
171.19186401367188	104.0
171.36959838867188	192.0
171.4138946533203	152.0
171.7467498779297	112.0
171.79714965820312	208.0
172.06463623046875	808.0
172.10511779785156	208.0
172.20021057128906	116.0
172.4185791015625	216.0
172.65582275390625	204.0
173.03065490722656	172.0
173.0709991455078	3780.0
173.10659790039062	212.0
173.25404357910156	108.0
173.3067626953125	172.0
174.04835510253906	192.0
174.07420349121094	452.0
174.7444610595703	176.0
175.06471252441406	1516.0
175.95944213867188	152.0
176.90586853027344	152.0
176.9614715576172	184.0
178.0805206298828	220.0
178.372802734375	232.0
181.4239959716797	188.0
182.44412231445312	140.0
182.6861572265625	164.0
182.88796997070312	144.0
183.32005310058594	120.0
183.40780639648438	208.0
183.62713623046875	152.0
183.72840881347656	144.0
183.7646026611328	128.0
183.87315368652344	248.0
183.90139770507812	140.0
183.92030334472656	160.0
183.93919372558594	224.0
183.99444580078125	184.0
184.04351806640625	84688.0
184.13494873046875	196.0
184.28192138671875	144.0
184.2986602783203	184.0
184.3604736328125	136.0
184.5219268798828	112.0
184.59390258789062	108.0
184.79234313964844	120.0
185.04579162597656	6792.0
185.07107543945312	1312.0
185.32498168945312	168.0
185.89053344726562	192.0
186.03958129882812	3124.0
186.07366943359375	400.0
186.16702270507812	148.0
186.3345947265625	96.0
186.37620544433594	128.0
186.4468231201172	104.0
186.50694274902344	128.0
187.0412139892578	356.0
187.08673095703125	5124.0
187.13272094726562	184.0
187.47320556640625	140.0
187.8167266845703	152.0
187.9422149658203	140.0
188.08926391601562	1064.0
189.37525939941406	112.0
189.4040985107422	172.0
190.85105895996094	220.0
191.17840576171875	184.0
193.94297790527344	168.0
194.50270080566406	116.0
195.0569305419922	180.0
195.9270477294922	176.0
196.08497619628906	148.0
196.64088439941406	176.0
196.9647674560547	224.0
197.06944274902344	192.0
198.064453125	280.0
199.0854034423828	168.0
199.93673706054688	184.0
200.08309936523438	404.0
201.08941650390625	148.0
202.40505981445312	132.0
203.2174072265625	180.0
204.8492431640625	184.0
206.00454711914062	144.0
209.0348663330078	168.0
209.0771484375	224.0
210.1011199951172	208.0
210.16171264648438	144.0
210.63804626464844	208.0
210.9761505126953	156.0
211.0748291015625	2420.0
211.29136657714844	180.0
211.50262451171875	144.0
211.95599365234375	160.0
212.08267211914062	30204.0
212.1389617919922	196.0
212.676513671875	188.0
212.90878295898438	196.0
213.08447265625	3316.0
213.14407348632812	140.0
213.2835693359375	140.0
214.08607482910156	440.0
214.80062866210938	140.0
215.08950805664062	156.0
215.8958740234375	176.0
217.08151245117188	128.0
218.83607482910156	180.0
220.06092834472656	128.0
222.2326202392578	156.0
223.06956481933594	172.0
223.42642211914062	140.0
224.08262634277344	228.0
225.0327911376953	164.0
226.06634521484375	324.0
227.24758911132812	144.0
228.75021362304688	248.0
229.1039581298828	120.0
230.0736083984375	148.0
230.5357208251953	172.0
230.5689697265625	140.0
231.09512329101562	208.0
232.0370330810547	188.0
232.1055145263672	220.0
234.1170196533203	164.0
235.5977325439453	148.0
235.86358642578125	212.0
235.88804626464844	156.0
237.12460327148438	180.0
238.859375	168.0
240.8042755126953	152.0
242.6144256591797	204.0
244.88587951660156	152.0
245.10250854492188	408.0
245.29718017578125	160.0
246.08270263671875	180.0
246.11598205566406	380.0
246.7613067626953	152.0
247.12559509277344	300.0
247.46212768554688	156.0
248.1271514892578	128.0
248.31446838378906	156.0
253.53848266601562	176.0
256.38275146484375	156.0
258.0956726074219	180.0
258.6600036621094	200.0
259.09149169921875	112.0
259.1187438964844	128.0
259.82965087890625	192.0
260.08612060546875	144.0
260.1182861328125	132.0
261.1004943847656	540.0
262.1019592285156	260.0
262.199462890625	168.0
262.3412780761719	188.0
263.1930236816406	180.0
263.63232421875	208.0
264.08770751953125	168.0
265.0075378417969	152.0
265.0622863769531	272.0
269.281982421875	144.0
269.34075927734375	176.0
270.6587219238281	148.0
272.1211853027344	496.0
272.5348815917969	204.0
273.12518310546875	696.0
274.1274108886719	200.0
275.1091613769531	144.0
275.1342468261719	128.0
276.1163024902344	204.0
276.14129638671875	152.0
278.16094970703125	176.0
279.2256774902344	144.0
282.44427490234375	228.0
282.7052307128906	200.0
283.15716552734375	148.0
283.1973571777344	200.0
285.1130676269531	148.0
285.6880187988281	160.0
286.1060791015625	196.0
287.1246032714844	244.0
287.33203125	184.0
288.1068420410156	136.0
288.1334228515625	112.0
289.129638671875	168.0
290.12823486328125	172.0
290.40350341796875	172.0
290.6511535644531	160.0
293.55950927734375	216.0
293.79486083984375	260.0
294.224853515625	228.0
294.4775390625	200.0
295.4962158203125	172.0
296.17401123046875	164.0
296.8800354003906	176.0
297.200927734375	188.0
297.89251708984375	140.0
298.1213073730469	176.0
299.10418701171875	176.0
299.1671447753906	208.0
300.1056213378906	180.0
301.1163024902344	112.0
301.24774169921875	192.0
302.1183776855469	160.0
302.9462585449219	236.0
303.1252746582031	2280.0
304.1316833496094	2156.0
304.8614807128906	160.0
305.1380310058594	420.0
305.4247131347656	164.0
306.82110595703125	140.0
307.14190673828125	152.0
307.3058776855469	192.0
308.19970703125	192.0
308.4618225097656	216.0
309.3153076171875	160.0
312.08087158203125	2180.0
313.08392333984375	1040.0
314.0869445800781	288.0
314.9483337402344	148.0
315.1246032714844	2572.0
315.5844421386719	176.0
316.1318664550781	14340.0
316.63653564453125	152.0
317.0498962402344	188.0
317.13427734375	2668.0
318.1353759765625	672.0
319.158447265625	336.0
323.21759033203125	172.0
325.0342712402344	156.0
325.1003723144531	196.0
325.150146484375	144.0
327.10076904296875	148.0
328.7658996582031	140.0
330.7356262207031	196.0
331.1200866699219	124.0
333.0489196777344	144.0
333.1627197265625	308.0
334.1630859375	800.0
335.171630859375	228.0
335.2572937011719	152.0
335.4395446777344	264.0
335.8333435058594	148.0
336.12945556640625	328.0
339.7656555175781	172.0
340.1108093261719	276.0
342.1065979003906	152.0
344.7178955078125	148.0
345.37225341796875	140.0
346.94232177734375	228.0
347.0646667480469	148.0
348.0293884277344	168.0
348.9359436035156	160.0
349.7878112792969	140.0
349.9665222167969	160.0
351.1217041015625	156.0
351.423828125	160.0
351.7858581542969	200.0
352.1069641113281	140.0
353.0943908691406	132.0
353.34796142578125	220.0
354.0965881347656	300.0
354.7485656738281	148.0
355.29608154296875	216.0
355.6187744140625	176.0
357.0013122558594	192.0
357.13671875	168.0
359.4045715332031	276.0
364.6265869140625	160.0
365.5887451171875	144.0
365.9579772949219	172.0
368.1104431152344	164.0
368.35675048828125	152.0
368.49810791015625	140.0
369.1040344238281	328.0
370.10614013671875	156.0
370.4951477050781	164.0
370.6445617675781	188.0
371.0469970703125	140.0
371.51104736328125	152.0
373.1470642089844	144.0
373.85479736328125	236.0
377.2218933105469	164.0
379.6611328125	208.0
380.9031066894531	160.0
381.2877502441406	200.0
382.0420837402344	168.0
382.495361328125	156.0
382.6608581542969	164.0
383.11798095703125	10728.0
383.27117919921875	208.0
383.4248962402344	112.0
383.69964599609375	184.0
383.8630065917969	144.0
384.0357360839844	100.0
384.1201171875	1764.0
384.4373474121094	112.0
384.90521240234375	188.0
385.01165771484375	156.0
385.11614990234375	1316.0
385.2308654785156	156.0
385.2777404785156	188.0
385.3285217285156	148.0
386.1141662597656	300.0
388.1958312988281	132.0
389.95635986328125	152.0
390.84906005859375	160.0
392.50732421875	152.0
392.8780822753906	152.0
393.10296630859375	144.0
393.6236267089844	116.0
393.8242492675781	184.0
393.9972229003906	180.0
394.0841369628906	180.0
394.1281433105469	128.0
394.26336669921875	104.0
394.3248596191406	196.0
394.48602294921875	180.0
394.65771484375	292.0
394.6875915527344	100.0
394.8724365234375	108.0
394.967041015625	248.0
395.0346374511719	96.0
395.0617370605469	384.0
395.11895751953125	142500.0
395.258056640625	172.0
395.3039245605469	124.0
395.3591003417969	148.0
395.4047546386719	112.0
395.46942138671875	144.0
395.5119934082031	180.0
395.5582275390625	156.0
395.5920715332031	120.0
395.6378173828125	108.0
395.6755676269531	140.0
395.73651123046875	104.0
395.76690673828125	396.0
395.86944580078125	196.0
395.9513244628906	124.0
396.0015869140625	116.0
396.031982421875	172.0
396.12066650390625	34196.0
396.48822021484375	112.0
396.6016845703125	124.0
396.76116943359375	180.0
396.9759826660156	164.0
397.1177978515625	7472.0
397.2428283691406	148.0
397.5615234375	100.0
397.70050048828125	116.0
398.0627746582031	160.0
398.1125793457031	1796.0
398.24261474609375	164.0
398.33270263671875	180.0
398.4312744140625	256.0
398.5914306640625	104.0
398.6492919921875	116.0
398.70147705078125	100.0
398.78045654296875	100.0
398.8081359863281	148.0
399.0256042480469	116.0
399.12835693359375	100.0
399.5614013671875	256.0
399.5959167480469	196.0
399.7690734863281	124.0
399.8055725097656	124.0
400.05712890625	164.0
400.4666748046875	96.0
401.5871276855469	148.0
402.3670959472656	140.0
402.66259765625	140.0
403.00860595703125	124.0
403.40362548828125	104.0
403.90496826171875	100.0
405.6554870605469	156.0
406.32281494140625	156.0
407.390380859375	144.0
409.2324523925781	184.0
409.3500061035156	148.0
409.9300537109375	172.0
410.05908203125	132.0
410.1293029785156	156.0
410.18170166015625	144.0
410.2337341308594	124.0
410.2905578613281	172.0
410.7410888671875	132.0
410.8446960449219	264.0
411.0462341308594	144.0
411.08154296875	132.0
411.1593017578125	136.0
411.2659606933594	224.0
411.294677734375	136.0
411.4494323730469	140.0
411.5049133300781	108.0
411.6310119628906	252.0
411.79730224609375	384.0
411.82403564453125	164.0
411.8711853027344	104.0
411.944580078125	180.0
411.9962463378906	124.0
412.05169677734375	444.0
412.1455993652344	162160.0
412.24591064453125	196.0
412.27911376953125	212.0
412.4923095703125	200.0
412.5242614746094	132.0
412.65435791015625	168.0
412.7084655761719	112.0
412.7539367675781	180.0
412.81109619140625	640.0
412.9280090332031	96.0
412.99920654296875	236.0
413.0862121582031	224.0
413.14788818359375	35684.0
413.3400573730469	144.0
413.5142822265625	148.0
413.66290283203125	168.0
413.7555236816406	132.0
413.798828125	148.0
413.86090087890625	252.0
414.0602722167969	144.0
414.14385986328125	8552.0
414.4084777832031	100.0
414.4367980957031	264.0
415.1436462402344	1188.0
415.2472839355469	192.0
415.40771484375	200.0
415.5099792480469	100.0
415.5801696777344	144.0
415.6947326660156	128.0
415.7332763671875	132.0
415.8281555175781	140.0
415.9399719238281	212.0
416.1440734863281	236.0
416.2374267578125	96.0
416.3775939941406	176.0
416.7360534667969	120.0
416.7981262207031	124.0
416.96124267578125	148.0
417.0046081542969	136.0
417.3013610839844	96.0
417.4961242675781	176.0
428.9704895019531	140.0
430.1468200683594	96.0
432.3821716308594	156.0
522.7847900390625	144.0
541.3828735351562	120.0
551.3375854492188	164.0
629.1744384765625	152.0
652.2062377929688	160.0
669.3294067382812	156.0
756.0446166992188	148.0
778.5277099609375	108.0
952.4218139648438	140.0
1225.2174072265625	144.0
1287.090576171875	224.0
1373.234375	216.0
1389.1002197265625	172.0
1391.23095703125	152.0
1430.6123046875	140.0
1433.7607421875	276.0
1446.3056640625	144.0
1474.9896240234375	164.0
1475.4788818359375	164.0
1489.179931640625	184.0
1491.3388671875	152.0
1510.314208984375	176.0
1537.7882080078125	180.0
1545.5404052734375	152.0
1552.32373046875	140.0
1573.52099609375	220.0
1585.647216796875	180.0
1586.0435791015625	144.0
1599.077392578125	144.0
1614.3468017578125	176.0
1616.234619140625	164.0
1616.675537109375	196.0
1617.5711669921875	144.0
1619.773193359375	152.0
1627.953857421875	148.0
1633.185791015625	160.0
1638.756591796875	168.0
1654.61865234375	168.0
1663.9500732421875	268.0
1682.030517578125	140.0
1685.060302734375	184.0
1687.4876708984375	148.0
1692.76513671875	172.0
1695.6651611328125	152.0
1711.0010986328125	220.0
1714.8890380859375	168.0
1727.0179443359375	156.0
1732.5723876953125	148.0
1735.3570556640625	160.0
1735.7550048828125	160.0
1742.0128173828125	164.0
1743.283935546875	152.0
1744.9796142578125	160.0
1747.6162109375	164.0
1748.7645263671875	232.0
1763.2681884765625	172.0
1774.2335205078125	188.0
1775.19775390625	168.0
1794.613037109375	164.0
1803.003662109375	168.0
1806.1741943359375	208.0
1816.45751953125	176.0
1820.43798828125	144.0
1825.5111083984375	152.0
1830.68505859375	140.0
1831.7752685546875	144.0
1847.28564453125	228.0
1847.6448974609375	148.0
1859.6328125	152.0
1865.9981689453125	152.0
1872.8565673828125	164.0
1874.1143798828125	168.0
1876.57080078125	184.0
1879.39111328125	212.0
1879.5498046875	176.0
1880.4439697265625	172.0
1881.7646484375	168.0
1886.2569580078125	176.0
1899.5228271484375	224.0
1900.70263671875	148.0
1900.8328857421875	160.0
1907.3724365234375	140.0
1911.0162353515625	148.0
1916.28369140625	184.0
1918.0789794921875	156.0
1918.8984375	152.0
1921.3927001953125	144.0
1939.415283203125	176.0
1946.5001220703125	196.0
1962.465087890625	200.0
1980.22705078125	152.0
1982.5748291015625	208.0
1986.16552734375	180.0
1991.944091796875	164.0
1999.9912109375	140.0
2001.656005859375	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079079
PEPMASS=325.160339
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_E2_F11_BD2_01_15724.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=DOLASETRON MESYLATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=O=C(O[C@H]1C[C@H]2C[C@H]3C[C@@H](C1)N2CC3=O)c4c[nH]c5ccccc45
INCHI=InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11-,12+,13-,14-
INCHIAUX=UKTAZPQNNNJVKR-YXSUXZIUSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079079
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079079
SCANS=1066
46.674190521240234	164.0
46.90427017211914	204.0
47.06525421142578	148.0
47.50457763671875	176.0
47.81069564819336	116.0
47.89125061035156	172.0
48.342288970947266	184.0
50.176334381103516	172.0
50.494049072265625	144.0
50.52941131591797	184.0
50.754615783691406	164.0
52.95303726196289	176.0
53.35643768310547	192.0
54.03022003173828	200.0
54.106319427490234	148.0
54.54641342163086	200.0
54.84080123901367	148.0
55.0030517578125	156.0
55.28830337524414	184.0
55.44824981689453	196.0
56.30967712402344	192.0
56.60129165649414	152.0
56.95372009277344	220.0
57.867591857910156	148.0
58.32725524902344	196.0
60.80173873901367	148.0
61.05652618408203	160.0
61.66768264770508	176.0
61.79434585571289	140.0
62.09040451049805	244.0
62.258323669433594	192.0
62.70669937133789	172.0
63.98503875732422	196.0
64.25119018554688	152.0
64.7499008178711	164.0
65.26823425292969	140.0
65.4339599609375	160.0
65.48709869384766	140.0
67.36711883544922	184.0
68.08946228027344	152.0
68.60612487792969	180.0
68.88170623779297	164.0
70.04285430908203	188.0
70.06616973876953	192.0
70.43316650390625	180.0
70.93348693847656	176.0
71.64768981933594	212.0
71.66117095947266	232.0
71.88542938232422	144.0
72.31468963623047	156.0
73.44458770751953	228.0
73.5367202758789	152.0
75.9525146484375	156.0
76.11044311523438	156.0
76.47725677490234	180.0
77.66890716552734	148.0
78.28227996826172	184.0
78.54664611816406	228.0
78.60662841796875	192.0
80.29749298095703	152.0
80.92450714111328	180.0
81.726806640625	152.0
82.05280303955078	156.0
82.07263946533203	208.0
84.26155853271484	160.0
84.814208984375	188.0
86.45893096923828	152.0
87.23236846923828	148.0
88.79520416259766	224.0
88.92841339111328	184.0
89.05984497070312	168.0
89.2759780883789	148.0
89.42724609375	168.0
90.16201782226562	216.0
91.05406951904297	200.0
91.19683074951172	232.0
93.04595947265625	184.0
93.0709228515625	196.0
94.06498718261719	432.0
95.07465362548828	188.0
95.32904815673828	152.0
95.6012954711914	188.0
95.8992691040039	204.0
95.9655532836914	236.0
96.04484558105469	3460.0
96.54549407958984	216.0
96.58265686035156	176.0
96.66873931884766	160.0
97.05261993408203	628.0
98.05375671386719	148.0
98.90450286865234	172.0
99.52303314208984	196.0
100.81980895996094	168.0
102.4692153930664	204.0
103.331298828125	184.0
104.30267333984375	160.0
104.7605209350586	152.0
105.06768798828125	136.0
105.44610595703125	140.0
105.90645599365234	204.0
106.06786346435547	176.0
106.61221313476562	192.0
106.68826293945312	156.0
107.05656433105469	252.0
107.08543395996094	572.0
107.1069107055664	176.0
107.2296142578125	192.0
108.04556274414062	184.0
108.08271789550781	184.0
108.23358917236328	164.0
108.72098541259766	164.0
109.05302429199219	184.0
109.23600006103516	156.0
110.06122589111328	176.0
110.61113739013672	172.0
111.07841491699219	196.0
113.09492492675781	156.0
114.2535400390625	172.0
115.06124877929688	188.0
115.93608093261719	144.0
116.8680191040039	164.0
117.0700454711914	196.0
117.16297149658203	172.0
118.0652084350586	320.0
118.28157043457031	180.0
118.53496551513672	212.0
119.0897445678711	524.0
119.32502746582031	140.0
120.08338928222656	244.0
120.2049789428711	208.0
120.24208068847656	152.0
121.10787963867188	140.0
121.33358764648438	152.0
121.59242248535156	176.0
121.60997772216797	204.0
122.0611343383789	516.0
122.09332275390625	188.0
123.04080200195312	180.0
123.11808013916016	196.0
124.47332763671875	160.0
125.54368591308594	144.0
127.5564956665039	144.0
127.76788330078125	156.0
128.05992126464844	308.0
128.58131408691406	164.0
129.07008361816406	316.0
130.07289123535156	152.0
130.69786071777344	256.0
130.84124755859375	188.0
131.0705108642578	276.0
131.88143920898438	164.0
131.9431610107422	188.0
132.08050537109375	196.0
132.3275146484375	200.0
132.86380004882812	164.0
132.96246337890625	164.0
133.07723999023438	204.0
133.10479736328125	160.0
133.3345184326172	208.0
134.0992431640625	204.0
135.08558654785156	204.0
135.83506774902344	160.0
136.1122589111328	3740.0
136.75985717773438	124.0
137.11598205566406	416.0
137.54302978515625	144.0
137.9261016845703	172.0
138.08743286132812	160.0
140.0181427001953	148.0
140.5635223388672	144.0
140.89170837402344	192.0
141.6558074951172	148.0
142.97354125976562	176.0
143.2783203125	156.0
143.32691955566406	176.0
143.53335571289062	164.0
143.76052856445312	236.0
144.04437255859375	6024.0
144.08230590820312	140.0
144.41696166992188	200.0
145.0469207763672	1120.0
145.15090942382812	144.0
145.22412109375	152.0
145.28453063964844	128.0
146.07147216796875	160.0
146.09542846679688	1048.0
146.57736206054688	200.0
147.07681274414062	224.0
147.09982299804688	180.0
147.1878662109375	240.0
149.18505859375	156.0
149.47853088378906	164.0
149.7609405517578	148.0
151.7917938232422	160.0
152.43739318847656	232.0
153.2986602783203	164.0
153.52792358398438	164.0
154.90460205078125	196.0
154.97149658203125	164.0
155.16481018066406	140.0
155.57167053222656	156.0
157.83389282226562	144.0
158.4871826171875	156.0
158.58633422851562	136.0
159.00375366210938	164.0
159.83050537109375	148.0
159.99411010742188	140.0
160.61148071289062	144.0
161.11888122558594	144.0
162.0955047607422	156.0
162.6636199951172	176.0
163.1170654296875	168.0
163.2149200439453	140.0
163.593994140625	180.0
163.6773223876953	192.0
163.75440979003906	152.0
163.9607696533203	184.0
163.99136352539062	148.0
164.037109375	168.0
164.04527282714844	160.0
164.07546997070312	260.0
164.10781860351562	99340.0
164.2432098388672	212.0
164.37158203125	144.0
164.47311401367188	168.0
164.5244140625	96.0
164.5753631591797	200.0
164.60997009277344	140.0
164.669921875	96.0
164.8708953857422	96.0
164.99630737304688	104.0
165.1109161376953	9668.0
165.64453125	156.0
165.6935272216797	128.0
165.87062072753906	104.0
165.89993286132812	120.0
166.11300659179688	632.0
166.1483917236328	160.0
166.41220092773438	152.0
166.49551391601562	132.0
170.8905029296875	204.0
171.53897094726562	172.0
171.61195373535156	220.0
172.06593322753906	164.0
172.3558349609375	148.0
172.73492431640625	164.0
173.0684356689453	168.0
174.07681274414062	228.0
174.25804138183594	184.0
176.09555053710938	148.0
177.74600219726562	152.0
180.37997436523438	152.0
181.07296752929688	140.0
181.1345672607422	164.0
181.61167907714844	152.0
182.1175994873047	2800.0
182.24253845214844	140.0
183.119873046875	372.0
183.5668487548828	168.0
183.99314880371094	188.0
185.74400329589844	296.0
187.91217041015625	148.0
189.3089141845703	176.0
191.0875701904297	144.0
191.26368713378906	224.0
192.05723571777344	200.0
192.20346069335938	172.0
192.30311584472656	172.0
193.25381469726562	136.0
194.12315368652344	152.0
194.25350952148438	168.0
196.041259765625	152.0
197.07089233398438	188.0
197.34201049804688	188.0
197.66366577148438	172.0
198.9585418701172	144.0
200.83262634277344	144.0
201.56381225585938	168.0
203.31101989746094	224.0
205.5534210205078	184.0
206.78797912597656	152.0
207.74501037597656	180.0
208.11236572265625	172.0
208.87391662597656	144.0
209.56771850585938	156.0
210.1097412109375	192.0
210.3146209716797	144.0
210.56581115722656	144.0
213.2544708251953	172.0
214.6401824951172	168.0
214.87351989746094	144.0
214.95230102539062	160.0
216.91766357421875	140.0
219.46360778808594	196.0
225.54359436035156	144.0
227.55068969726562	172.0
228.915771484375	192.0
230.7684326171875	152.0
231.2463836669922	184.0
232.13705444335938	148.0
233.21481323242188	164.0
234.4870147705078	180.0
235.6221466064453	176.0
236.57015991210938	164.0
236.68344116210938	148.0
237.06021118164062	152.0
241.47181701660156	140.0
242.05670166015625	152.0
242.92140197753906	152.0
245.26596069335938	256.0
247.99462890625	152.0
251.01580810546875	144.0
253.26913452148438	156.0
256.3094177246094	144.0
256.3381042480469	148.0
262.9960632324219	148.0
266.3635559082031	164.0
267.19573974609375	144.0
268.968505859375	160.0
270.1285095214844	196.0
270.442626953125	200.0
277.2768249511719	184.0
278.7635498046875	144.0
279.63818359375	148.0
285.2138366699219	152.0
285.9336242675781	156.0
288.3382263183594	144.0
289.0889892578125	160.0
289.4681091308594	228.0
292.8540344238281	160.0
293.54925537109375	140.0
293.77777099609375	184.0
294.6995544433594	160.0
295.46881103515625	144.0
295.7185974121094	140.0
301.66583251953125	156.0
305.02825927734375	212.0
305.6020812988281	164.0
309.476318359375	176.0
315.67633056640625	224.0
317.3192443847656	192.0
318.4583435058594	180.0
320.0158996582031	200.0
320.5893859863281	168.0
321.3167724609375	224.0
321.3702697753906	156.0
321.6986083984375	192.0
322.9313659667969	128.0
323.0413513183594	96.0
323.14599609375	152.0
323.2449645996094	168.0
323.3475341796875	112.0
323.380859375	196.0
323.65423583984375	204.0
323.72796630859375	108.0
323.81536865234375	228.0
323.8913879394531	120.0
323.92547607421875	136.0
324.0160827636719	140.0
324.0688171386719	224.0
324.1343078613281	208.0
324.16583251953125	116.0
324.2259521484375	160.0
324.26263427734375	248.0
324.3065185546875	116.0
324.4997863769531	240.0
324.5772705078125	144.0
324.6755065917969	180.0
324.76580810546875	196.0
324.83990478515625	148.0
324.8804931640625	400.0
324.9694519042969	144.0
325.0032653808594	152.0
325.0600891113281	188.0
325.1567687988281	208280.0
325.2630920410156	96.0
325.4001159667969	200.0
325.5436706542969	128.0
325.5896301269531	180.0
325.7462463378906	1696.0
325.795654296875	184.0
325.8655700683594	148.0
326.02655029296875	256.0
326.052978515625	140.0
326.09600830078125	172.0
326.158447265625	38368.0
326.45550537109375	136.0
326.5287170410156	168.0
326.5773620605469	124.0
326.7196044921875	136.0
326.7788391113281	256.0
326.8931579589844	100.0
327.07470703125	232.0
327.11773681640625	160.0
327.1602478027344	4732.0
327.27923583984375	144.0
327.5202941894531	132.0
327.6365661621094	100.0
327.7259216308594	144.0
327.7514953613281	216.0
327.7761535644531	192.0
327.8500671386719	228.0
327.9130554199219	240.0
327.98797607421875	116.0
328.0222473144531	124.0
328.0566711425781	132.0
328.1639404296875	628.0
328.23016357421875	324.0
328.2679748535156	172.0
328.3309326171875	200.0
328.3824462890625	116.0
328.42218017578125	108.0
328.4474182128906	268.0
328.5113220214844	128.0
328.62054443359375	132.0
329.17877197265625	140.0
331.2511901855469	120.0
341.621826171875	128.0
366.1839294433594	112.0
464.630126953125	140.0
549.7263793945312	140.0
576.3697509765625	160.0
1149.6209716796875	212.0
1160.918212890625	156.0
1179.4503173828125	148.0
1230.056884765625	152.0
1258.9556884765625	156.0
1296.1029052734375	172.0
1307.3480224609375	212.0
1315.398681640625	160.0
1402.5811767578125	172.0
1421.67529296875	172.0
1431.4403076171875	232.0
1455.8885498046875	180.0
1456.1468505859375	200.0
1464.901611328125	188.0
1495.722900390625	224.0
1504.572509765625	144.0
1507.376220703125	164.0
1543.647216796875	156.0
1544.171142578125	156.0
1552.8646240234375	144.0
1574.2314453125	144.0
1574.8631591796875	200.0
1628.8291015625	196.0
1652.7891845703125	172.0
1701.1195068359375	140.0
1704.72509765625	148.0
1710.482177734375	168.0
1712.7054443359375	148.0
1718.14599609375	144.0
1721.5052490234375	208.0
1733.947509765625	188.0
1748.3065185546875	188.0
1759.1658935546875	168.0
1769.6839599609375	220.0
1782.5340576171875	224.0
1784.5933837890625	160.0
1785.2745361328125	264.0
1791.2418212890625	164.0
1800.6800537109375	144.0
1820.5311279296875	264.0
1823.666015625	156.0
1832.788818359375	164.0
1846.10498046875	160.0
1900.1470947265625	148.0
1905.4429931640625	180.0
1906.8245849609375	180.0
1914.6981201171875	208.0
1915.3338623046875	140.0
1917.076416015625	184.0
1928.0546875	148.0
1943.5015869140625	204.0
1945.002197265625	140.0
1947.645263671875	184.0
1967.652587890625	188.0
1970.098876953125	156.0
1991.8460693359375	204.0
1999.1275634765625	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079080
PEPMASS=259.044495
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_E2_F11_BD2_01_15724.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Lofexidine hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(Oc1c(Cl)cccc1Cl)C2=NCCN2
INCHI=InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)
INCHIAUX=KSMAGQUYOIHWFS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079080
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079080
SCANS=1067
46.698665618896484	156.0
47.08573532104492	196.0
48.59447479248047	176.0
48.93220520019531	156.0
51.27633285522461	172.0
51.44036102294922	212.0
52.1810188293457	268.0
52.809749603271484	172.0
53.311378479003906	192.0
54.83195495605469	180.0
55.0783576965332	236.0
55.45121383666992	152.0
56.224578857421875	200.0
56.509986877441406	148.0
56.653709411621094	152.0
57.03185272216797	144.0
57.43840408325195	196.0
58.20571517944336	236.0
58.65452194213867	228.0
59.674095153808594	232.0
59.83102035522461	156.0
60.84364700317383	196.0
62.43748092651367	224.0
62.86598587036133	140.0
63.988224029541016	272.0
64.07422637939453	216.0
66.29326629638672	188.0
66.31595611572266	240.0
67.88432312011719	192.0
70.60445404052734	216.0
72.57048034667969	192.0
72.85730743408203	212.0
72.95417022705078	168.0
73.42070770263672	156.0
73.43775939941406	144.0
75.1308364868164	156.0
75.65792846679688	140.0
77.76014709472656	252.0
78.25586700439453	148.0
78.31221771240234	160.0
79.44705200195312	176.0
80.19210052490234	220.0
81.36555480957031	160.0
81.42839813232422	172.0
82.90777587890625	172.0
83.6888656616211	184.0
83.82547760009766	152.0
85.1738510131836	176.0
85.3429183959961	188.0
85.86036682128906	196.0
87.45558166503906	168.0
87.47419738769531	176.0
88.01298522949219	216.0
88.04286193847656	144.0
88.25775909423828	188.0
88.89088439941406	168.0
92.72562408447266	172.0
93.31108856201172	228.0
93.94275665283203	168.0
94.74502563476562	184.0
95.18724060058594	188.0
95.75898742675781	244.0
96.77247619628906	184.0
97.0767593383789	24544.0
97.24989318847656	96.0
97.98624420166016	240.0
98.08405303955078	21604.0
98.4535140991211	112.0
98.84840393066406	104.0
99.08565521240234	440.0
100.09568786621094	148.0
100.11360931396484	212.0
104.37586212158203	152.0
105.18142700195312	116.0
109.27345275878906	164.0
118.07170104980469	140.0
118.57830810546875	144.0
122.31993865966797	152.0
122.90616607666016	196.0
129.4743194580078	168.0
133.38047790527344	156.0
134.41915893554688	176.0
137.73829650878906	160.0
144.09214782714844	164.0
147.42459106445312	168.0
147.52610778808594	160.0
147.90830993652344	140.0
152.0984649658203	160.0
156.63348388671875	156.0
161.6549072265625	212.0
165.62916564941406	192.0
167.88316345214844	152.0
168.00439453125	156.0
169.0352783203125	160.0
175.08926391601562	196.0
177.23690795898438	204.0
183.87979125976562	176.0
189.0187530517578	160.0
194.03895568847656	468.0
194.10374450683594	172.0
198.09202575683594	148.0
198.34141540527344	200.0
198.87432861328125	184.0
202.4832000732422	152.0
204.0182647705078	148.0
204.72389221191406	144.0
205.92169189453125	232.0
206.06451416015625	168.0
207.066650390625	120.0
209.06564331054688	176.0
209.88189697265625	172.0
210.19630432128906	152.0
211.45338439941406	188.0
212.4153289794922	148.0
212.9929656982422	160.0
214.99899291992188	164.0
218.30050659179688	144.0
218.48875427246094	160.0
223.065185546875	312.0
224.07061767578125	972.0
225.07269287109375	312.0
226.06883239746094	136.0
227.0737762451172	284.0
235.4022216796875	224.0
237.35142517089844	228.0
240.9525146484375	196.0
243.1727294921875	160.0
244.0642852783203	244.0
246.93325805664062	192.0
252.376708984375	164.0
256.19793701171875	356.0
256.6971435546875	1260.0
257.1008605957031	136.0
257.1995849609375	664.0
257.7069396972656	148.0
258.2152099609375	148.0
258.2471923828125	144.0
258.6119384765625	148.0
258.7157287597656	152.0
258.8224182128906	188.0
258.96734619140625	324.0
259.0405578613281	56772.0
259.3466796875	164.0
259.645263671875	176.0
259.87939453125	132.0
260.04290771484375	4116.0
260.1136169433594	176.0
260.2071533203125	140.0
260.34136962890625	156.0
260.4789123535156	128.0
260.92230224609375	200.0
261.0371398925781	29636.0
261.4217834472656	100.0
261.68853759765625	180.0
261.8339538574219	116.0
262.0403747558594	2064.0
263.03155517578125	196.0
263.235595703125	132.0
306.2217102050781	144.0
355.2725830078125	160.0
370.2697448730469	116.0
371.27587890625	244.0
413.29534912109375	180.0
1174.2340087890625	220.0
1189.4166259765625	176.0
1221.1104736328125	192.0
1245.665283203125	220.0
1267.8056640625	228.0
1283.9862060546875	180.0
1311.8135986328125	172.0
1321.4908447265625	164.0
1329.229248046875	208.0
1349.3028564453125	164.0
1370.5286865234375	160.0
1376.9022216796875	148.0
1384.74169921875	220.0
1386.2529296875	152.0
1403.73681640625	220.0
1412.833984375	160.0
1413.125732421875	208.0
1417.5284423828125	212.0
1446.9715576171875	168.0
1454.9698486328125	160.0
1465.3052978515625	200.0
1480.5975341796875	164.0
1507.9866943359375	144.0
1515.376708984375	152.0
1519.8504638671875	168.0
1528.257568359375	168.0
1537.2027587890625	208.0
1538.990234375	148.0
1541.71630859375	144.0
1552.9117431640625	220.0
1560.788330078125	176.0
1568.03857421875	144.0
1575.7242431640625	192.0
1576.6961669921875	176.0
1579.107421875	180.0
1598.3529052734375	184.0
1600.0880126953125	144.0
1602.3817138671875	160.0
1603.9835205078125	184.0
1604.111083984375	140.0
1604.8046875	228.0
1607.9794921875	144.0
1608.083251953125	160.0
1622.7139892578125	148.0
1628.6844482421875	212.0
1650.2332763671875	148.0
1660.0794677734375	204.0
1664.43701171875	168.0
1696.46826171875	168.0
1707.1336669921875	180.0
1717.3623046875	160.0
1718.3109130859375	144.0
1729.8310546875	152.0
1730.7996826171875	184.0
1740.1024169921875	196.0
1746.4844970703125	168.0
1752.3533935546875	264.0
1761.7806396484375	236.0
1766.3782958984375	144.0
1767.7587890625	140.0
1769.240234375	224.0
1771.67724609375	144.0
1778.5616455078125	204.0
1783.45849609375	160.0
1805.2098388671875	172.0
1806.3431396484375	228.0
1820.310302734375	188.0
1823.275146484375	164.0
1824.3800048828125	168.0
1825.6724853515625	168.0
1836.8809814453125	172.0
1848.1922607421875	232.0
1856.9814453125	144.0
1861.86474609375	172.0
1874.837890625	176.0
1877.9342041015625	176.0
1880.1761474609375	188.0
1887.951171875	160.0
1889.7763671875	180.0
1901.578857421875	164.0
1903.427978515625	148.0
1912.1558837890625	188.0
1913.18310546875	168.0
1924.5693359375	184.0
1927.600341796875	172.0
1943.1944580078125	144.0
1946.327880859375	176.0
1952.7781982421875	140.0
1954.8016357421875	212.0
1974.3414306640625	168.0
1977.2431640625	208.0
1981.87451171875	152.0
1982.397216796875	152.0
1984.1522216796875	160.0
1989.4129638671875	148.0
1999.919677734375	192.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079081
PEPMASS=379.243195
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_E2_F11_BD2_01_15724.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=DOXAPRAM HYDROCHLORIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCN1CC(CCN2CCOCC2)C(C1=O)(c3ccccc3)c4ccccc4
INCHI=InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3
INCHIAUX=XFDJYSQDBULQSI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079081
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079081
SCANS=1079
46.031898498535156	144.0
46.45824432373047	172.0
47.05706787109375	164.0
47.38942337036133	156.0
47.41408920288086	176.0
47.818695068359375	180.0
48.74860763549805	160.0
48.833412170410156	144.0
49.39802169799805	164.0
49.4766960144043	172.0
49.618194580078125	164.0
49.81747817993164	144.0
49.87228012084961	164.0
51.1054573059082	144.0
51.2749137878418	144.0
52.0488395690918	188.0
52.1494026184082	192.0
52.28315734863281	180.0
52.467525482177734	164.0
52.78372573852539	160.0
54.1824836730957	196.0
54.37897491455078	180.0
54.818702697753906	152.0
55.226173400878906	172.0
55.86967086791992	164.0
55.996482849121094	188.0
57.65280532836914	152.0
57.71478271484375	152.0
57.9736328125	156.0
59.02552032470703	184.0
59.31947326660156	228.0
60.09766387939453	152.0
60.5722770690918	236.0
63.06831359863281	192.0
63.14878463745117	180.0
63.73057174682617	144.0
64.34746551513672	188.0
65.43879699707031	152.0
65.92269897460938	160.0
66.4684066772461	168.0
66.5122299194336	188.0
66.60315704345703	188.0
68.43973541259766	164.0
68.60613250732422	156.0
69.00566101074219	152.0
69.02715301513672	180.0
69.63037109375	172.0
70.16451263427734	232.0
70.64049530029297	160.0
70.79779052734375	140.0
70.88489532470703	152.0
70.95697021484375	140.0
71.35150146484375	248.0
71.73701477050781	180.0
72.81145477294922	172.0
73.69042205810547	144.0
74.83269500732422	140.0
76.24247741699219	196.0
76.41287994384766	164.0
78.06724548339844	160.0
78.3791732788086	140.0
78.83090209960938	176.0
79.25912475585938	140.0
79.62278747558594	160.0
80.17428588867188	144.0
80.31513977050781	172.0
80.97466278076172	176.0
81.87622833251953	152.0
82.06543731689453	216.0
82.19891357421875	164.0
82.27832794189453	140.0
82.61265563964844	180.0
82.66512298583984	172.0
82.96216583251953	156.0
83.81273651123047	156.0
85.14080047607422	184.0
86.05597686767578	140.0
87.56544494628906	164.0
87.96446228027344	176.0
88.21664428710938	144.0
89.97881317138672	176.0
90.26600646972656	164.0
90.31139373779297	196.0
90.54798126220703	140.0
90.8664321899414	184.0
91.05469512939453	2668.0
91.22916412353516	180.0
91.9663314819336	156.0
92.05890655517578	500.0
92.83683013916016	172.0
92.9749526977539	248.0
93.93505859375	204.0
94.294189453125	160.0
94.3270492553711	200.0
94.5533447265625	144.0
94.61141204833984	160.0
95.24552154541016	224.0
95.3174057006836	192.0
96.08124542236328	1844.0
97.08917999267578	5740.0
97.1213150024414	180.0
98.09358978271484	1184.0
98.13604736328125	164.0
98.29286193847656	212.0
98.38858032226562	160.0
99.66207885742188	180.0
100.07676696777344	828.0
100.58614349365234	156.0
100.82981872558594	148.0
101.14382934570312	176.0
101.44630432128906	184.0
102.26785278320312	192.0
102.70709991455078	140.0
103.05486297607422	192.0
103.4912109375	172.0
104.24171447753906	236.0
105.06962585449219	1368.0
105.09080505371094	164.0
106.07119750976562	204.0
106.26726531982422	264.0
106.32266998291016	176.0
106.93305969238281	140.0
107.19047546386719	200.0
108.33509063720703	160.0
108.39310455322266	140.0
108.67716979980469	164.0
109.03433990478516	244.0
110.3956527709961	216.0
112.54740905761719	148.0
112.86858367919922	140.0
113.98140716552734	172.0
114.69648742675781	160.0
114.71854400634766	112.0
114.94174194335938	184.0
115.01643371582031	144.0
115.05429077148438	260.0
115.4209976196289	228.0
115.96824645996094	184.0
116.05828857421875	156.0
117.07022094726562	2640.0
117.64144134521484	124.0
118.04792785644531	164.0
118.07544708251953	188.0
118.21233367919922	144.0
118.48731231689453	156.0
118.51331329345703	200.0
118.66936492919922	160.0
120.62870025634766	196.0
122.6195068359375	148.0
122.65257263183594	192.0
124.17375946044922	148.0
124.6377182006836	200.0
126.03409576416016	128.0
127.02433013916016	228.0
127.05596160888672	616.0
128.06251525878906	4324.0
128.10118103027344	176.0
128.25711059570312	180.0
128.8726348876953	160.0
128.98562622070312	144.0
129.0282745361328	144.0
129.0707244873047	18456.0
129.1234893798828	272.0
129.8029327392578	200.0
130.03091430664062	152.0
130.07424926757812	2048.0
130.40907287597656	176.0
130.8443603515625	124.0
130.92095947265625	200.0
131.05316162109375	108.0
131.08370971679688	576.0
131.67811584472656	180.0
131.69410705566406	152.0
131.922607421875	220.0
132.06617736816406	172.0
132.08184814453125	200.0
133.2035675048828	164.0
133.65187072753906	204.0
134.09469604492188	416.0
134.39610290527344	156.0
134.80712890625	168.0
134.87876892089844	252.0
136.01144409179688	176.0
137.42636108398438	228.0
137.50804138183594	164.0
137.91209411621094	180.0
139.60009765625	208.0
140.10675048828125	296.0
140.61309814453125	220.0
141.0699462890625	472.0
141.3125457763672	168.0
141.6392364501953	204.0
141.7434844970703	156.0
142.0762481689453	296.0
142.83795166015625	168.0
143.08612060546875	24496.0
144.0885467529297	3460.0
144.14923095703125	152.0
144.96043395996094	144.0
145.08828735351562	428.0
146.105712890625	244.0
148.4461669921875	172.0
149.43719482421875	176.0
150.0485076904297	152.0
151.8727569580078	148.0
152.0627899169922	572.0
152.33177185058594	176.0
152.7861328125	120.0
152.99900817871094	168.0
154.40713500976562	144.0
155.05990600585938	264.0
155.08551025390625	196.0
155.8945770263672	144.0
156.10836791992188	168.0
156.27003479003906	212.0
157.0645294189453	2924.0
157.38665771484375	172.0
158.0674285888672	276.0
158.09303283691406	164.0
158.71278381347656	140.0
159.10166931152344	180.0
159.66954040527344	180.0
159.90855407714844	236.0
160.07484436035156	148.0
160.11154174804688	356.0
160.41734313964844	140.0
160.59637451171875	160.0
160.87646484375	268.0
160.99261474609375	176.0
161.11497497558594	168.0
161.29074096679688	148.0
161.33624267578125	144.0
161.74856567382812	188.0
161.84571838378906	128.0
165.07138061523438	1324.0
165.88031005859375	184.0
166.02645874023438	204.0
166.07644653320312	892.0
166.1873016357422	136.0
166.21371459960938	152.0
166.68360900878906	192.0
166.8018341064453	156.0
166.8841094970703	156.0
167.017822265625	148.0
167.0538330078125	144.0
167.0860137939453	36356.0
167.220947265625	116.0
167.98533630371094	112.0
168.05499267578125	156.0
168.08880615234375	4780.0
168.24957275390625	176.0
168.5380096435547	100.0
169.0637664794922	248.0
169.0956268310547	180.0
169.52731323242188	156.0
170.048583984375	168.0
170.0983428955078	140.0
171.08572387695312	140.0
171.61720275878906	164.0
172.07952880859375	164.0
172.11141967773438	328.0
173.06903076171875	140.0
173.1178741455078	324.0
174.12448120117188	452.0
174.24493408203125	196.0
175.53465270996094	148.0
175.6503448486328	152.0
175.88816833496094	176.0
175.93304443359375	180.0
178.08099365234375	480.0
179.05393981933594	200.0
179.08966064453125	248.0
181.05960083007812	144.0
182.02767944335938	172.0
182.05270385742188	176.0
182.10018920898438	164.0
184.6416778564453	160.0
185.9068145751953	160.0
186.088623046875	392.0
186.12806701660156	624.0
186.5885772705078	148.0
187.05377197265625	152.0
187.09642028808594	456.0
187.12454223632812	144.0
188.1058349609375	936.0
188.16055297851562	168.0
189.1132354736328	160.0
189.4513702392578	176.0
189.94754028320312	192.0
190.51576232910156	164.0
191.0655975341797	184.0
191.08615112304688	144.0
192.09059143066406	176.0
192.39944458007812	140.0
193.1016082763672	176.0
195.08082580566406	2184.0
196.08213806152344	644.0
196.11160278320312	228.0
196.48182678222656	220.0
197.51956176757812	200.0
198.2843017578125	192.0
200.0746612548828	172.0
200.10745239257812	660.0
200.43234252929688	176.0
200.69447326660156	244.0
201.11476135253906	1448.0
201.5695037841797	176.0
202.11856079101562	368.0
202.55404663085938	164.0
203.7000274658203	152.0
203.8790283203125	336.0
204.08831787109375	236.0
204.1206512451172	144.0
205.10000610351562	164.0
205.62765502929688	152.0
205.78465270996094	180.0
206.10455322265625	148.0
207.11651611328125	2604.0
208.1183624267578	468.0
208.50018310546875	144.0
208.7100372314453	168.0
209.12428283691406	320.0
209.5706329345703	212.0
209.7118377685547	180.0
210.03477478027344	180.0
210.1284637451172	516.0
210.17901611328125	160.0
212.6039581298828	152.0
212.8042449951172	140.0
213.31845092773438	188.0
214.12281799316406	1056.0
214.38369750976562	168.0
215.1267547607422	392.0
215.86663818359375	152.0
216.09271240234375	164.0
217.1007537841797	104.0
217.4163055419922	144.0
218.34759521484375	140.0
219.11993408203125	596.0
219.26614379882812	144.0
220.1231231689453	288.0
221.14846801757812	180.0
221.5738983154297	184.0
221.80503845214844	216.0
222.12527465820312	180.0
223.18551635742188	180.0
224.87159729003906	180.0
225.0089111328125	140.0
225.0327911376953	188.0
225.39718627929688	156.0
228.34703063964844	140.0
228.9549560546875	140.0
229.09828186035156	244.0
230.56594848632812	148.0
231.1177520751953	268.0
231.15455627441406	156.0
231.52798461914062	168.0
232.118896484375	116.0
233.66793823242188	144.0
234.0179443359375	140.0
234.50534057617188	180.0
236.40673828125	176.0
236.4691925048828	140.0
239.69985961914062	256.0
239.95877075195312	172.0
240.8753204345703	148.0
241.2523193359375	180.0
241.57083129882812	188.0
242.1691131591797	148.0
242.96176147460938	264.0
243.03668212890625	136.0
243.93374633789062	156.0
244.12181091308594	152.0
245.1255340576172	264.0
246.12525939941406	192.0
246.14859008789062	380.0
246.73316955566406	160.0
247.11073303222656	232.0
247.640625	176.0
248.96409606933594	172.0
249.9542999267578	172.0
250.0109405517578	156.0
251.8837432861328	160.0
252.1175537109375	152.0
253.18682861328125	156.0
253.3578643798828	160.0
253.76036071777344	152.0
254.16635131835938	148.0
254.7981719970703	148.0
256.37957763671875	152.0
257.57281494140625	176.0
257.9147033691406	160.0
258.1065368652344	168.0
259.0602722167969	184.0
259.13714599609375	168.0
260.1955261230469	144.0
260.3785400390625	152.0
262.1897888183594	160.0
262.23492431640625	172.0
262.2735900878906	148.0
262.54119873046875	156.0
262.9638366699219	192.0
263.1686706542969	164.0
263.59033203125	160.0
263.9750061035156	156.0
264.1364440917969	152.0
264.17486572265625	18732.0
264.24237060546875	108.0
264.2970275878906	172.0
264.6006164550781	112.0
264.7160339355469	252.0
264.9121398925781	108.0
265.17724609375	3640.0
265.2179260253906	156.0
266.1834411621094	412.0
266.4277648925781	160.0
266.8951721191406	160.0
267.7068176269531	164.0
268.9718017578125	176.0
271.4910583496094	200.0
272.1463928222656	184.0
272.19329833984375	196.0
274.15869140625	992.0
274.2230529785156	160.0
275.166748046875	176.0
275.6709289550781	172.0
276.11151123046875	208.0
276.1942138671875	140.0
276.74737548828125	128.0
278.0595703125	224.0
279.594970703125	172.0
280.12103271484375	168.0
281.98284912109375	144.0
282.5546569824219	160.0
282.9886779785156	224.0
283.6664733886719	212.0
285.7754821777344	208.0
286.6711730957031	152.0
287.5041198730469	144.0
287.86871337890625	196.0
288.0882263183594	160.0
289.7696228027344	144.0
291.62255859375	96.0
291.79718017578125	288.0
291.9808654785156	148.0
292.1260070800781	144.0
292.1698913574219	32516.0
292.31524658203125	120.0
292.65765380859375	108.0
292.8003845214844	184.0
293.052490234375	144.0
293.12811279296875	108.0
293.1718444824219	10196.0
293.22784423828125	292.0
293.3025207519531	200.0
294.0678405761719	164.0
294.1763610839844	1320.0
294.60052490234375	172.0
294.9012145996094	224.0
295.1758117675781	144.0
295.2969665527344	264.0
295.34716796875	100.0
295.48223876953125	140.0
296.3880615234375	124.0
297.2024841308594	156.0
298.42864990234375	140.0
300.66424560546875	140.0
300.8126525878906	180.0
301.18603515625	252.0
301.79034423828125	180.0
302.3412170410156	140.0
302.49261474609375	172.0
305.454345703125	132.0
305.9849853515625	152.0
307.3023986816406	228.0
308.8207702636719	176.0
308.8639221191406	196.0
309.0843505859375	144.0
313.4947814941406	192.0
314.41522216796875	176.0
314.5705261230469	144.0
314.9412841796875	148.0
317.5128173828125	160.0
317.8371276855469	200.0
318.7106018066406	156.0
319.2189025878906	172.0
320.7747497558594	152.0
320.8888244628906	208.0
322.79193115234375	180.0
323.49676513671875	188.0
323.7975158691406	220.0
325.2244873046875	184.0
326.43878173828125	168.0
330.2869567871094	220.0
334.4014587402344	172.0
334.8565673828125	144.0
340.2207336425781	148.0
343.2782287597656	172.0
343.4773864746094	144.0
343.6434020996094	140.0
345.33526611328125	152.0
345.87548828125	172.0
346.82000732421875	180.0
347.3465270996094	216.0
347.4429626464844	192.0
347.6544494628906	216.0
350.486572265625	176.0
351.774658203125	148.0
351.9053039550781	144.0
354.03668212890625	168.0
354.100341796875	184.0
354.7523193359375	152.0
355.4874267578125	164.0
359.7366638183594	160.0
360.1077880859375	204.0
360.684814453125	152.0
361.21038818359375	188.0
361.24078369140625	116.0
361.6493225097656	148.0
361.78179931640625	152.0
361.9434509277344	196.0
362.3081970214844	160.0
362.48248291015625	144.0
366.9414367675781	152.0
367.734375	172.0
369.61456298828125	176.0
371.01251220703125	160.0
371.7796325683594	160.0
373.9471740722656	224.0
374.6747131347656	136.0
374.7982177734375	140.0
375.2832946777344	192.0
375.3995361328125	168.0
375.8011169433594	180.0
375.94244384765625	112.0
376.2163391113281	120.0
376.30828857421875	172.0
376.3526306152344	176.0
376.4839172363281	164.0
376.9280090332031	96.0
377.10601806640625	172.0
377.2586975097656	132.0
377.33514404296875	192.0
377.3621826171875	288.0
377.4530944824219	124.0
377.6259460449219	104.0
377.662841796875	108.0
377.7229309082031	280.0
377.7932434082031	128.0
377.8728332519531	160.0
377.939697265625	192.0
378.0411682128906	268.0
378.0737609863281	184.0
378.1472473144531	304.0
378.18658447265625	160.0
378.22650146484375	156.0
378.36737060546875	264.0
378.4500732421875	128.0
378.4849853515625	296.0
378.5218200683594	116.0
378.56414794921875	360.0
378.7200012207031	120.0
378.7820129394531	196.0
378.8555603027344	284.0
378.89990234375	264.0
378.9914245605469	196.0
379.0348815917969	132.0
379.06292724609375	236.0
379.100341796875	212.0
379.1303405761719	520.0
379.1748962402344	360.0
379.2407531738281	225992.0
379.3838806152344	240.0
379.4985046386719	144.0
379.5982360839844	196.0
379.65155029296875	296.0
379.7508239746094	252.0
379.8082580566406	224.0
379.81866455078125	272.0
379.8306579589844	464.0
379.8780517578125	4820.0
379.9194641113281	420.0
379.95965576171875	308.0
380.0017395019531	176.0
380.09796142578125	232.0
380.139892578125	160.0
380.190185546875	352.0
380.2424621582031	96776.0
380.3724365234375	168.0
380.4414978027344	108.0
380.49053955078125	164.0
380.528564453125	200.0
380.6250915527344	128.0
380.6597900390625	204.0
380.7221984863281	200.0
380.7948913574219	268.0
380.82275390625	140.0
380.8797912597656	256.0
381.0489501953125	136.0
381.098876953125	304.0
381.2436828613281	10624.0
381.35308837890625	168.0
381.427001953125	140.0
381.46038818359375	200.0
381.53765869140625	108.0
381.74871826171875	112.0
381.8589172363281	96.0
381.9640808105469	188.0
381.99163818359375	208.0
382.04925537109375	156.0
382.10528564453125	104.0
382.1632385253906	196.0
382.2481689453125	412.0
382.3133239746094	180.0
382.3863525390625	284.0
382.47174072265625	276.0
382.6128234863281	192.0
382.66094970703125	244.0
382.70318603515625	204.0
382.7821960449219	228.0
382.8865051269531	280.0
382.95843505859375	240.0
383.0578308105469	132.0
383.36004638671875	128.0
383.4491882324219	128.0
383.5971984863281	204.0
383.63861083984375	156.0
383.6890563964844	224.0
383.79052734375	148.0
383.966552734375	100.0
387.240234375	112.0
392.0303649902344	140.0
395.5177307128906	184.0
396.3199462890625	112.0
408.3537292480469	144.0
477.08087158203125	192.0
483.2416687011719	144.0
513.1097412109375	164.0
522.2706909179688	144.0
844.4093017578125	128.0
1027.3956298828125	164.0
1027.5040283203125	148.0
1058.8343505859375	156.0
1061.2384033203125	176.0
1108.580078125	152.0
1136.0233154296875	148.0
1160.728515625	184.0
1167.1043701171875	216.0
1170.6358642578125	160.0
1177.6876220703125	240.0
1183.972900390625	152.0
1190.6319580078125	156.0
1193.82763671875	236.0
1205.539794921875	208.0
1220.43603515625	148.0
1229.3033447265625	144.0
1269.0391845703125	192.0
1274.8526611328125	200.0
1287.9189453125	168.0
1299.88916015625	148.0
1315.781494140625	160.0
1326.6474609375	144.0
1333.2452392578125	184.0
1339.13818359375	144.0
1348.6451416015625	196.0
1357.594482421875	220.0
1365.876220703125	164.0
1374.13427734375	204.0
1375.0050048828125	152.0
1375.329833984375	164.0
1383.3720703125	140.0
1390.0350341796875	216.0
1408.0504150390625	168.0
1408.886962890625	168.0
1419.905029296875	212.0
1431.500732421875	148.0
1444.6787109375	192.0
1449.956298828125	168.0
1451.5784912109375	188.0
1452.22314453125	216.0
1453.492431640625	140.0
1457.1953125	152.0
1466.8372802734375	164.0
1497.51708984375	240.0
1497.809814453125	184.0
1499.9700927734375	172.0
1504.3333740234375	228.0
1504.8892822265625	160.0
1506.2330322265625	188.0
1526.9586181640625	180.0
1531.0211181640625	188.0
1551.712158203125	160.0
1553.500244140625	204.0
1554.1749267578125	148.0
1571.421630859375	176.0
1576.8861083984375	176.0
1611.884765625	232.0
1612.1005859375	144.0
1624.0775146484375	168.0
1624.38232421875	156.0
1625.9949951171875	160.0
1635.8814697265625	220.0
1636.30810546875	144.0
1639.5704345703125	172.0
1642.5697021484375	240.0
1657.437255859375	272.0
1661.450439453125	144.0
1665.4443359375	176.0
1670.2886962890625	140.0
1677.617431640625	152.0
1679.6397705078125	192.0
1683.50830078125	164.0
1685.9267578125	156.0
1691.5289306640625	208.0
1701.3084716796875	148.0
1705.27587890625	168.0
1706.459716796875	140.0
1709.050537109375	140.0
1709.9638671875	164.0
1716.3729248046875	140.0
1721.315673828125	208.0
1727.1585693359375	152.0
1727.4481201171875	156.0
1727.779052734375	140.0
1749.1224365234375	196.0
1750.47119140625	228.0
1760.1021728515625	176.0
1769.173583984375	160.0
1770.7979736328125	164.0
1779.9471435546875	176.0
1783.139404296875	212.0
1791.6549072265625	160.0
1797.4639892578125	164.0
1810.5245361328125	200.0
1816.0927734375	164.0
1819.0626220703125	200.0
1821.3297119140625	172.0
1829.4844970703125	160.0
1830.4210205078125	180.0
1832.5760498046875	164.0
1840.7816162109375	144.0
1844.1390380859375	168.0
1844.4381103515625	140.0
1845.0023193359375	156.0
1850.277099609375	216.0
1857.479248046875	164.0
1866.0755615234375	144.0
1877.2347412109375	192.0
1879.0374755859375	220.0
1880.0728759765625	164.0
1885.0728759765625	144.0
1886.2828369140625	204.0
1896.4078369140625	164.0
1898.5860595703125	148.0
1903.0635986328125	184.0
1905.5562744140625	184.0
1912.1387939453125	152.0
1917.19873046875	184.0
1920.8692626953125	236.0
1929.304931640625	184.0
1930.458984375	176.0
1944.2828369140625	148.0
1945.12548828125	228.0
1948.69091796875	236.0
1951.70556640625	192.0
1954.485107421875	160.0
1958.02392578125	204.0
1960.9224853515625	212.0
1968.4210205078125	204.0
1976.4559326171875	180.0
1984.5958251953125	244.0
1987.5672607421875	140.0
1988.5433349609375	200.0
1996.0589599609375	192.0
2001.7442626953125	224.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079082
PEPMASS=555.028748
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=36.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_E2_F11_BD2_01_15724.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=AM-251 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1c(nn(c1c2ccc(I)cc2)c3ccc(Cl)cc3Cl)C(=O)NN4CCCCC4
INCHI=InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
INCHIAUX=BUZAJRPLUGXRAB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079082
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079082
SCANS=3087
47.52793502807617	140.0
51.473236083984375	204.0
52.74038314819336	164.0
52.753395080566406	156.0
55.57136535644531	156.0
59.31950378417969	180.0
72.18616485595703	160.0
72.73848724365234	160.0
73.1124038696289	188.0
73.5811538696289	196.0
74.17476654052734	200.0
74.34284973144531	160.0
75.09121704101562	156.0
82.70861053466797	180.0
85.20330047607422	256.0
88.48046875	144.0
89.43031311035156	212.0
92.7621078491211	188.0
95.86815643310547	228.0
97.82020568847656	184.0
99.09290313720703	1108.0
99.55487060546875	168.0
100.09130096435547	220.0
104.0549087524414	144.0
105.84713745117188	172.0
116.0240478515625	208.0
118.8104019165039	180.0
119.47081756591797	208.0
125.91423034667969	160.0
127.65101623535156	140.0
128.05032348632812	188.0
128.25436401367188	164.0
129.06036376953125	444.0
129.1077880859375	192.0
130.88232421875	216.0
132.9606475830078	248.0
140.04776000976562	184.0
141.05580139160156	100.0
147.95924377441406	160.0
149.0117950439453	148.0
153.90310668945312	144.0
155.06080627441406	152.0
155.5916290283203	172.0
156.8628387451172	212.0
159.9161834716797	164.0
159.97222900390625	844.0
160.83616638183594	148.0
160.97943115234375	172.0
161.96766662597656	364.0
162.0123748779297	140.0
162.9024200439453	144.0
162.9735565185547	156.0
163.0156707763672	124.0
163.75198364257812	148.0
163.81056213378906	180.0
164.67013549804688	160.0
165.10205078125	148.0
165.53196716308594	148.0
167.9150848388672	144.0
168.66815185546875	196.0
169.41600036621094	160.0
170.6305389404297	152.0
170.9771728515625	352.0
171.97207641601562	256.0
172.9663848876953	132.0
173.98765563964844	192.0
174.96400451660156	168.0
176.96685791015625	156.0
177.32977294921875	164.0
178.00360107421875	140.0
178.6787109375	168.0
181.440185546875	168.0
182.07611083984375	164.0
182.4254150390625	156.0
182.63246154785156	164.0
184.96646118164062	184.0
185.98291015625	152.0
188.57313537597656	192.0
192.40505981445312	248.0
195.42880249023438	148.0
197.98556518554688	144.0
198.01202392578125	124.0
198.59109497070312	232.0
199.02752685546875	112.0
203.66162109375	128.0
205.3025360107422	192.0
206.0218048095703	160.0
208.59515380859375	212.0
210.00892639160156	152.0
210.87875366210938	136.0
212.96408081054688	156.0
214.4129638671875	140.0
214.43919372558594	140.0
216.3905029296875	172.0
218.3094940185547	164.0
219.98300170898438	140.0
221.10617065429688	152.0
222.98516845703125	164.0
224.02354431152344	144.0
224.07554626464844	176.0
224.93739318847656	188.0
224.98020935058594	152.0
225.4959259033203	144.0
226.01327514648438	156.0
226.95196533203125	368.0
227.96835327148438	144.0
228.15771484375	156.0
228.6901397705078	248.0
228.9340057373047	148.0
229.07762145996094	384.0
230.07969665527344	708.0
231.08555603027344	260.0
231.25563049316406	144.0
233.24839782714844	140.0
233.3608856201172	220.0
234.78594970703125	140.0
238.04258728027344	672.0
239.0194854736328	208.0
239.04544067382812	252.0
239.6876678466797	176.0
239.94039916992188	160.0
240.03485107421875	272.0
240.21177673339844	148.0
240.8785400390625	148.0
244.45639038085938	220.0
245.31912231445312	148.0
245.39083862304688	212.0
245.8462371826172	164.0
248.00201416015625	212.0
251.04727172851562	156.0
252.03358459472656	104.0
253.4530487060547	180.0
254.55056762695312	156.0
254.92539978027344	156.0
255.8191375732422	148.0
255.96141052246094	5712.0
256.9657897949219	880.0
258.58367919921875	176.0
261.0149841308594	144.0
264.0426940917969	224.0
265.0011901855469	168.0
265.05352783203125	1808.0
266.05499267578125	336.0
267.0495910644531	756.0
268.0548400878906	320.0
268.94256591796875	152.0
270.69488525390625	180.0
272.44305419921875	192.0
273.0104064941406	288.0
273.5183410644531	236.0
274.01519775390625	148.0
275.00726318359375	208.0
275.2920837402344	144.0
275.8697204589844	168.0
277.023681640625	196.0
278.98974609375	144.0
280.2311096191406	164.0
280.48773193359375	148.0
281.976318359375	172.0
282.0264587402344	140.0
283.86444091796875	188.0
284.8982849121094	116.0
286.9981994628906	132.0
287.11968994140625	156.0
289.83074951171875	160.0
290.8006286621094	148.0
292.0292053222656	180.0
293.04437255859375	276.0
294.05126953125	120.0
295.0498046875	252.0
296.0474548339844	152.0
297.1134338378906	144.0
299.0141906738281	760.0
299.05145263671875	180.0
299.58172607421875	220.0
299.9883728027344	200.0
300.0236511230469	1076.0
300.37255859375	112.0
301.013671875	428.0
301.17974853515625	164.0
301.4897766113281	184.0
302.0205078125	848.0
303.0075988769531	152.0
303.0295715332031	448.0
303.3899841308594	144.0
304.0232849121094	408.0
305.6162109375	160.0
307.9762878417969	152.0
308.55987548828125	176.0
308.7941589355469	144.0
309.0040283203125	140.0
309.5150451660156	156.0
310.05682373046875	108.0
313.1039123535156	160.0
313.32232666015625	192.0
313.6288757324219	156.0
316.0868835449219	144.0
316.8374938964844	148.0
317.7698974609375	216.0
317.8656921386719	176.0
318.95599365234375	160.0
320.8426513671875	196.0
322.19879150390625	140.0
322.65625	156.0
326.9281921386719	152.0
327.0217590332031	184.0
328.0153503417969	2216.0
329.0155029296875	408.0
330.01300048828125	1076.0
330.2364807128906	144.0
331.0122375488281	112.0
331.3552551269531	200.0
332.012451171875	260.0
332.59161376953125	160.0
332.6569519042969	208.0
333.89593505859375	188.0
334.3943786621094	208.0
334.5326843261719	148.0
334.79119873046875	156.0
335.0278015136719	112.0
335.37774658203125	160.0
336.9468688964844	228.0
337.5411071777344	132.0
338.2720947265625	136.0
338.6625061035156	192.0
339.9419860839844	160.0
340.76812744140625	144.0
344.4483642578125	176.0
346.0291748046875	336.0
346.16815185546875	152.0
347.0050354003906	148.0
347.8943786621094	136.0
348.0295715332031	252.0
348.3772277832031	104.0
348.5681457519531	152.0
348.6090393066406	156.0
348.6907958984375	148.0
349.04022216796875	140.0
349.486572265625	220.0
349.73590087890625	172.0
349.8922424316406	156.0
350.02130126953125	140.0
350.380126953125	208.0
351.0174560546875	144.0
351.9391174316406	140.0
352.3275146484375	140.0
352.8934326171875	128.0
355.0487060546875	160.0
355.2174987792969	152.0
355.9798583984375	124.0
356.72705078125	144.0
356.9971923828125	136.0
357.2352600097656	184.0
357.5959167480469	148.0
360.0055236816406	1464.0
360.5338134765625	196.0
361.00933837890625	720.0
362.0064392089844	508.0
363.00750732421875	252.0
364.0082702636719	228.0
365.9496154785156	148.0
366.9599304199219	128.0
367.261474609375	208.0
369.603271484375	156.0
369.9285888671875	140.0
371.6723937988281	148.0
373.9046936035156	744.0
374.3515930175781	180.0
375.89654541015625	272.0
376.93072509765625	280.0
377.968505859375	152.0
378.0160827636719	1028.0
378.9336853027344	144.0
379.0180969238281	284.0
380.016357421875	1236.0
381.0162048339844	248.0
381.9606018066406	200.0
382.0214538574219	112.0
383.3840637207031	192.0
383.4362487792969	176.0
383.86895751953125	188.0
384.18878173828125	140.0
384.3214416503906	152.0
384.39556884765625	212.0
384.4306945800781	148.0
385.8641662597656	156.0
386.180908203125	144.0
387.48052978515625	144.0
388.5581359863281	148.0
390.5484619140625	164.0
390.8846740722656	188.0
390.9481201171875	988.0
391.6445007324219	216.0
391.9576721191406	2416.0
392.2158203125	152.0
392.8016052246094	172.0
392.95233154296875	392.0
393.49395751953125	184.0
393.9554748535156	584.0
394.9534606933594	96.0
396.2109375	184.0
398.3491516113281	168.0
399.3746643066406	156.0
399.9186096191406	192.0
400.90435791015625	160.0
402.0500793457031	192.0
403.48193359375	252.0
408.89306640625	160.0
409.38018798828125	148.0
410.649658203125	196.0
410.75579833984375	164.0
411.7878112792969	188.0
411.8871154785156	168.0
412.7172546386719	140.0
413.6072692871094	148.0
413.67608642578125	140.0
413.90234375	160.0
414.91015625	152.0
416.2830505371094	156.0
417.921142578125	156.0
418.048583984375	152.0
418.67828369140625	168.0
418.9526062011719	128.0
419.1304626464844	172.0
419.615478515625	180.0
419.7530822753906	132.0
419.9541320800781	1164.0
420.02734375	164.0
420.2653503417969	212.0
420.9580078125	116.0
421.43170166015625	212.0
421.7422790527344	140.0
421.9422912597656	408.0
421.9897155761719	184.0
422.6025085449219	124.0
422.8752136230469	168.0
422.9493103027344	156.0
423.34600830078125	144.0
423.6327209472656	152.0
424.1654357910156	184.0
424.39910888671875	168.0
424.7969055175781	160.0
425.2154235839844	160.0
426.833984375	192.0
426.93267822265625	228.0
427.47979736328125	148.0
427.910400390625	136.0
428.9404602050781	2992.0
429.68829345703125	144.0
429.9471740722656	632.0
430.0074768066406	148.0
430.938720703125	1420.0
431.1665344238281	184.0
431.9458312988281	364.0
432.41839599609375	128.0
432.92889404296875	372.0
437.37127685546875	200.0
437.6293640136719	160.0
438.3791198730469	148.0
438.48748779296875	144.0
441.2884521484375	148.0
442.4347839355469	140.0
442.5854797363281	148.0
443.16351318359375	152.0
444.1067199707031	172.0
448.7661437988281	192.0
449.89678955078125	184.0
449.9770202636719	156.0
450.1289978027344	140.0
450.5851745605469	156.0
451.5024108886719	204.0
452.927490234375	124.0
453.394775390625	160.0
453.7950134277344	120.0
453.85150146484375	156.0
453.8879699707031	104.0
454.08819580078125	144.0
454.2955017089844	136.0
454.3272399902344	240.0
454.3967590332031	132.0
454.5264587402344	124.0
454.59649658203125	440.0
454.6652526855469	152.0
454.73260498046875	180.0
454.8058166503906	340.0
454.9225158691406	107072.0
455.0630798339844	108.0
455.2294006347656	120.0
455.4175109863281	128.0
455.486083984375	132.0
455.5584716796875	148.0
455.6351623535156	184.0
455.708740234375	164.0
455.8365478515625	176.0
455.9243469238281	16268.0
456.0849609375	212.0
456.1632385253906	180.0
456.1976318359375	124.0
456.42144775390625	208.0
456.4765930175781	136.0
456.5779113769531	156.0
456.82073974609375	200.0
456.9195251464844	59236.0
457.0515441894531	284.0
457.2969055175781	176.0
457.42279052734375	108.0
457.5348815917969	168.0
457.62896728515625	156.0
457.6879577636719	116.0
457.9205322265625	8536.0
458.0344543457031	156.0
458.1904602050781	132.0
458.21923828125	176.0
458.2599182128906	104.0
458.4117736816406	116.0
458.60211181640625	216.0
458.6683349609375	232.0
458.73809814453125	228.0
458.8562316894531	112.0
458.91656494140625	5932.0
459.02740478515625	204.0
459.20367431640625	128.0
459.25555419921875	136.0
459.3249206542969	112.0
459.65576171875	96.0
459.78857421875	112.0
459.84381103515625	224.0
459.8962707519531	156.0
459.9298095703125	272.0
460.16876220703125	96.0
460.43994140625	144.0
460.6420593261719	112.0
460.74163818359375	168.0
460.8232727050781	140.0
461.0163269042969	100.0
461.34576416015625	156.0
461.3856201171875	100.0
461.4341125488281	96.0
461.6921081542969	156.0
462.07110595703125	192.0
462.82177734375	160.0
463.47283935546875	144.0
464.4024963378906	116.0
464.7677307128906	160.0
465.2012023925781	188.0
469.2787170410156	212.0
469.9293518066406	452.0
470.48712158203125	136.0
470.93670654296875	160.0
471.3737487792969	148.0
471.43353271484375	188.0
471.92535400390625	492.0
472.2570495605469	296.0
472.46990966796875	156.0
472.93218994140625	57148.0
473.0956726074219	200.0
473.16412353515625	200.0
473.3342590332031	240.0
473.3823547363281	324.0
473.4259033203125	224.0
473.59161376953125	132.0
473.64306640625	228.0
473.7202453613281	100.0
473.7923583984375	244.0
473.8329772949219	156.0
473.9346923828125	11204.0
474.0146484375	176.0
474.2500915527344	156.0
474.3605041503906	216.0
474.3940124511719	152.0
474.5906982421875	136.0
474.7198791503906	184.0
474.7869873046875	264.0
474.85992431640625	124.0
474.93011474609375	32620.0
475.1116638183594	96.0
475.6421203613281	104.0
475.7388000488281	152.0
475.7996826171875	112.0
475.8478698730469	124.0
475.9328308105469	4796.0
476.10711669921875	104.0
476.321533203125	184.0
476.4172058105469	164.0
476.69189453125	136.0
476.77435302734375	96.0
476.81561279296875	148.0
476.8529357910156	108.0
476.92669677734375	3792.0
477.0257873535156	148.0
477.923828125	248.0
478.0423583984375	224.0
478.19207763671875	176.0
478.32244873046875	216.0
478.6231994628906	100.0
479.46954345703125	176.0
480.94488525390625	140.0
484.7847900390625	224.0
488.22210693359375	148.0
489.1592712402344	148.0
489.7889404296875	172.0
492.5810852050781	168.0
493.3698425292969	196.0
493.75677490234375	152.0
494.0885314941406	152.0
496.0059814453125	164.0
496.5628662109375	100.0
497.68292236328125	184.0
497.9493408203125	164.0
498.8424377441406	220.0
499.9499206542969	156.0
500.14129638671875	168.0
504.0077819824219	164.0
504.8213195800781	204.0
505.7633056640625	108.0
506.5623474121094	196.0
507.65594482421875	156.0
507.96710205078125	96.0
512.267333984375	168.0
515.7734375	144.0
516.0491943359375	140.0
516.5059204101562	152.0
516.8814086914062	172.0
516.9674072265625	160.0
517.3837890625	140.0
517.524169921875	148.0
518.906005859375	156.0
519.1055297851562	152.0
520.6303100585938	140.0
520.8392333984375	152.0
521.0572509765625	368.0
521.3934936523438	156.0
522.2073364257812	156.0
524.0372924804688	144.0
524.4793090820312	144.0
524.5886840820312	144.0
524.83203125	140.0
525.0401000976562	160.0
526.18017578125	140.0
526.65576171875	172.0
527.62451171875	140.0
528.9877319335938	144.0
532.1004638671875	140.0
535.6368408203125	192.0
536.6461181640625	172.0
537.0040893554688	508.0
538.0147094726562	136.0
538.193115234375	124.0
538.9934692382812	216.0
539.6044921875	104.0
539.9032592773438	140.0
541.1832885742188	152.0
541.739013671875	164.0
543.1509399414062	116.0
543.1674194335938	160.0
544.7357177734375	148.0
546.0042114257812	160.0
546.4722290039062	156.0
547.7360229492188	196.0
549.3955078125	248.0
550.2214965820312	172.0
550.4878540039062	104.0
550.7425537109375	240.0
550.8753051757812	148.0
551.006103515625	160.0
551.1110229492188	132.0
551.3649291992188	216.0
551.5286865234375	112.0
551.547119140625	120.0
551.6787109375	100.0
551.7469482421875	176.0
551.87841796875	132.0
552.1158447265625	192.0
552.2635498046875	168.0
552.3477783203125	232.0
552.4124145507812	108.0
552.6331176757812	176.0
552.6987915039062	136.0
552.7910766601562	180.0
552.8777465820312	116.0
552.98095703125	216.0
553.0106201171875	164.0
553.05517578125	148.0
553.1618041992188	100.0
553.213134765625	232.0
553.2855834960938	116.0
553.3467407226562	120.0
553.5162353515625	188.0
553.578125	172.0
553.7839965820312	412.0
553.8587646484375	316.0
553.9231567382812	224.0
553.9661865234375	264.0
554.016845703125	208.0
554.0884399414062	120.0
554.2295532226562	216.0
554.3023681640625	212.0
554.3477172851562	140.0
554.4002685546875	280.0
554.4562377929688	204.0
554.5176391601562	168.0
554.631591796875	320.0
554.6726684570312	184.0
554.7294311523438	224.0
554.8573608398438	364.0
555.0236206054688	196776.0
555.1476440429688	164.0
555.203125	140.0
555.2837524414062	124.0
555.3694458007812	172.0
555.4503784179688	320.0
555.4697265625	296.0
555.5311889648438	336.0
555.5843505859375	188.0
555.7960815429688	2104.0
555.865234375	440.0
555.9057006835938	228.0
556.0247802734375	78484.0
556.2175903320312	344.0
556.3056640625	208.0
556.4708251953125	316.0
556.6151123046875	140.0
556.6337280273438	148.0
556.6484375	256.0
556.8202514648438	276.0
556.8556518554688	248.0
556.927734375	564.0
557.0205078125	151168.0
557.2161254882812	144.0
557.275634765625	144.0
557.3206787109375	168.0
557.3403930664062	156.0
557.41748046875	292.0
557.527587890625	212.0
557.5657958984375	172.0
557.6780395507812	260.0
557.7454833984375	180.0
557.7932739257812	840.0
558.0220336914062	38508.0
558.1239624023438	212.0
558.2421875	228.0
558.3135986328125	276.0
558.3779907226562	212.0
558.4205322265625	136.0
558.5025024414062	180.0
558.6123046875	172.0
558.6395263671875	240.0
558.7210083007812	208.0
558.8212890625	132.0
558.9042358398438	116.0
559.0174560546875	14544.0
559.1490478515625	256.0
559.2631225585938	212.0
559.2980346679688	344.0
559.3512573242188	240.0
559.42041015625	144.0
559.4605102539062	160.0
559.9255981445312	232.0
559.96826171875	148.0
560.022705078125	580.0
560.1575927734375	112.0
560.2308349609375	112.0
560.3007202148438	132.0
560.3582153320312	100.0
560.3798828125	188.0
560.5926513671875	188.0
560.6337280273438	176.0
560.7208251953125	104.0
560.7879028320312	140.0
560.8963012695312	140.0
560.9765625	188.0
561.0770263671875	188.0
561.2210693359375	124.0
561.2968139648438	264.0
561.37158203125	168.0
561.4888916015625	120.0
561.5506591796875	160.0
561.6336669921875	176.0
561.6731567382812	112.0
561.8179931640625	148.0
561.8773193359375	112.0
562.0894775390625	224.0
562.246337890625	144.0
562.5241088867188	220.0
562.59326171875	112.0
563.152587890625	152.0
563.33154296875	144.0
563.8739013671875	128.0
564.1531372070312	100.0
569.4417114257812	140.0
570.87548828125	120.0
573.1646118164062	116.0
575.41015625	144.0
576.9953002929688	96.0
579.9641723632812	140.0
595.6818237304688	140.0
604.8231201171875	144.0
622.1461791992188	132.0
710.7957763671875	172.0
717.0570068359375	124.0
795.419189453125	128.0
856.43017578125	104.0
914.592041015625	148.0
1079.104736328125	140.0
1196.828369140625	152.0
1395.75537109375	152.0
1513.7822265625	140.0
1559.4058837890625	152.0
1603.0281982421875	152.0
1690.0731201171875	148.0
1755.3218994140625	148.0
1844.0716552734375	188.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079083
PEPMASS=288.175659
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_E2_F11_BD2_01_15724.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Zolmitriptan [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12
INCHI=InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
INCHIAUX=ULSDMUVEXKOYBU-ZDUSSCGKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079083
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079083
SCANS=1010
45.87950897216797	188.0
46.19956970214844	184.0
46.56691360473633	148.0
47.27995300292969	172.0
48.28288650512695	204.0
48.7945556640625	152.0
48.925331115722656	212.0
49.30193328857422	172.0
50.505455017089844	204.0
51.46757888793945	176.0
52.17536163330078	160.0
52.240074157714844	200.0
52.68986511230469	144.0
54.18257141113281	160.0
55.30912399291992	188.0
55.396488189697266	180.0
55.77933883666992	208.0
56.932796478271484	224.0
57.36612319946289	160.0
58.49772644042969	152.0
59.30117416381836	140.0
60.48720932006836	164.0
60.54449462890625	152.0
62.489501953125	176.0
63.2200813293457	144.0
63.72114181518555	164.0
65.0691146850586	144.0
67.02625274658203	152.0
67.06373596191406	172.0
67.13873291015625	164.0
68.36248016357422	144.0
69.71355438232422	156.0
71.6882553100586	148.0
72.49942016601562	160.0
72.9645004272461	172.0
73.23677062988281	164.0
73.33218383789062	148.0
74.75328063964844	156.0
75.86248016357422	148.0
76.9288558959961	168.0
77.11575317382812	204.0
77.54973602294922	168.0
77.87265014648438	200.0
78.19791412353516	152.0
80.0301284790039	140.0
80.86199951171875	156.0
81.87816619873047	144.0
82.40850067138672	164.0
83.90036010742188	164.0
84.99041748046875	160.0
85.98412322998047	164.0
86.48314666748047	160.0
86.51646423339844	196.0
87.69731903076172	204.0
88.34394836425781	144.0
88.69599151611328	156.0
88.91543579101562	184.0
89.23664855957031	176.0
90.40613555908203	160.0
90.50835418701172	148.0
92.14216613769531	240.0
92.23771667480469	240.0
92.31610107421875	144.0
92.87533569335938	208.0
93.76168060302734	144.0
94.27501678466797	188.0
94.94677734375	156.0
96.13346862792969	192.0
99.44380187988281	160.0
99.50534057617188	172.0
101.2841567993164	140.0
102.13522338867188	140.0
102.8303451538086	144.0
103.10905456542969	192.0
103.6473388671875	172.0
104.17865753173828	168.0
105.07261657714844	176.0
105.9476089477539	152.0
106.41726684570312	140.0
107.0296859741211	164.0
108.04337310791016	252.0
108.22550201416016	176.0
108.3891372680664	156.0
109.30068969726562	144.0
110.47113037109375	172.0
110.77256774902344	164.0
112.60671997070312	176.0
112.71446228027344	192.0
114.49639129638672	140.0
114.97189331054688	192.0
115.24085235595703	176.0
116.61662292480469	152.0
117.01457977294922	168.0
117.05790710449219	556.0
117.73261260986328	172.0
117.85357666015625	188.0
118.00703430175781	164.0
118.6695556640625	164.0
119.72996520996094	172.0
120.21392059326172	164.0
120.57206726074219	188.0
120.80821228027344	172.0
121.19353485107422	140.0
121.85614013671875	164.0
122.46548461914062	148.0
122.90442657470703	156.0
124.47798919677734	156.0
125.3432846069336	148.0
127.07164764404297	288.0
128.0679931640625	236.0
128.6849365234375	164.0
129.07028198242188	308.0
129.3817138671875	168.0
130.0753936767578	196.0
131.49111938476562	256.0
131.58013916015625	144.0
131.80625915527344	152.0
132.04367065429688	136.0
132.20643615722656	160.0
132.48577880859375	144.0
133.38072204589844	176.0
134.00205993652344	140.0
134.04685974121094	1448.0
134.34095764160156	168.0
134.67796325683594	152.0
134.77499389648438	140.0
134.8882293701172	208.0
134.9529571533203	180.0
135.05386352539062	552.0
135.29537963867188	188.0
136.1114959716797	208.0
137.60018920898438	156.0
137.8795928955078	180.0
138.04791259765625	168.0
138.8605499267578	200.0
138.95437622070312	240.0
139.05763244628906	148.0
139.9650421142578	168.0
140.6699676513672	216.0
140.88722229003906	152.0
140.93211364746094	180.0
140.95338439941406	156.0
141.0742645263672	168.0
141.46897888183594	160.0
141.78163146972656	156.0
142.06141662597656	164.0
143.0729522705078	244.0
143.31431579589844	236.0
144.24745178222656	216.0
145.25277709960938	128.0
146.07948303222656	236.0
146.39959716796875	244.0
146.43331909179688	224.0
146.73211669921875	144.0
147.11087036132812	176.0
147.267822265625	152.0
147.62791442871094	300.0
148.6962890625	140.0
148.73411560058594	144.0
149.60818481445312	124.0
151.29469299316406	196.0
152.05909729003906	456.0
152.20184326171875	216.0
153.07005310058594	240.0
153.25457763671875	200.0
153.95387268066406	120.0
154.0669708251953	1200.0
154.12803649902344	180.0
154.74391174316406	156.0
155.0849609375	1708.0
155.26922607421875	140.0
155.7035369873047	212.0
155.96192932128906	180.0
156.08251953125	3956.0
156.78074645996094	156.0
157.08787536621094	1912.0
157.14231872558594	152.0
158.09295654296875	192.0
158.75567626953125	168.0
158.9387969970703	208.0
159.0531768798828	124.0
159.09942626953125	168.0
160.0800018310547	144.0
161.26824951171875	144.0
161.4502716064453	264.0
161.84756469726562	148.0
163.04742431640625	192.0
163.5561065673828	144.0
163.89480590820312	180.0
164.28233337402344	188.0
164.77760314941406	144.0
165.07101440429688	2796.0
165.11245727539062	168.0
166.07022094726562	348.0
166.41932678222656	156.0
167.0734405517578	5904.0
167.8782958984375	228.0
167.93504333496094	156.0
168.04080200195312	152.0
168.07748413085938	332.0
168.9579620361328	156.0
169.69427490234375	196.0
169.82313537597656	172.0
169.91392517089844	196.0
170.02333068847656	12972.0
170.091552734375	196.0
170.16827392578125	164.0
170.48255920410156	160.0
170.6217041015625	120.0
170.89340209960938	268.0
171.02566528320312	972.0
171.0921630859375	140.0
172.01974487304688	9756.0
172.28134155273438	140.0
172.37042236328125	164.0
173.01950073242188	152.0
173.56805419921875	152.0
173.97996520996094	160.0
174.09024047851562	140.0
174.41603088378906	248.0
174.62110900878906	180.0
175.738037109375	200.0
175.9914093017578	164.0
176.20799255371094	176.0
178.19769287109375	152.0
178.84388732910156	152.0
179.07553100585938	164.0
180.08241271972656	584.0
180.4604949951172	156.0
181.0881805419922	784.0
181.16970825195312	216.0
181.56640625	224.0
181.6200408935547	172.0
181.64151000976562	144.0
181.75828552246094	144.0
181.97695922851562	148.0
182.0974884033203	27656.0
182.16802978515625	140.0
182.19236755371094	288.0
182.665283203125	152.0
182.71604919433594	140.0
183.10020446777344	3444.0
183.16830444335938	144.0
183.4108123779297	160.0
183.90440368652344	156.0
184.07452392578125	264.0
184.10459899902344	364.0
184.18768310546875	96.0
184.27027893066406	112.0
184.58248901367188	148.0
187.78428649902344	172.0
189.4407196044922	184.0
189.80796813964844	180.0
191.15945434570312	196.0
191.23651123046875	148.0
191.48980712890625	168.0
192.3721466064453	160.0
192.9329376220703	140.0
193.07948303222656	180.0
193.5111541748047	156.0
193.84075927734375	168.0
193.86846923828125	148.0
194.62208557128906	152.0
195.07859802246094	180.0
195.2899169921875	172.0
195.75746154785156	204.0
196.06947326660156	152.0
196.9259796142578	164.0
197.03492736816406	168.0
197.08242797851562	152.0
197.1068572998047	504.0
197.93553161621094	192.0
198.09507751464844	336.0
199.12362670898438	616.0
201.16030883789062	244.0
203.8566131591797	172.0
204.11190795898438	188.0
204.1551055908203	184.0
206.83128356933594	160.0
207.09036254882812	320.0
207.39840698242188	148.0
207.44728088378906	172.0
208.18739318847656	152.0
208.3137664794922	148.0
209.44998168945312	164.0
210.39292907714844	196.0
211.09214782714844	168.0
212.81910705566406	148.0
213.31007385253906	232.0
213.70849609375	140.0
214.56475830078125	180.0
215.0577392578125	168.0
217.09754943847656	152.0
219.2134552001953	160.0
219.44924926757812	148.0
220.2135467529297	164.0
221.40211486816406	152.0
223.1888427734375	160.0
223.40892028808594	148.0
225.10336303710938	536.0
227.0019989013672	200.0
227.0919647216797	160.0
228.11741638183594	180.0
228.60009765625	220.0
229.36508178710938	144.0
231.17718505859375	168.0
232.84152221679688	148.0
234.14012145996094	168.0
234.51791381835938	268.0
234.79315185546875	116.0
235.4757843017578	164.0
236.13302612304688	176.0
236.88600158691406	156.0
237.13418579101562	172.0
239.22286987304688	152.0
240.2182159423828	148.0
242.9745635986328	164.0
243.01800537109375	144.0
243.05833435058594	196.0
243.11329650878906	19100.0
243.26202392578125	116.0
243.31285095214844	140.0
243.58612060546875	180.0
243.61770629882812	144.0
243.67445373535156	148.0
243.98388671875	172.0
244.11715698242188	3108.0
244.27931213378906	148.0
244.8395538330078	264.0
245.11968994140625	564.0
245.1666717529297	152.0
245.4472198486328	140.0
245.50730895996094	280.0
245.80593872070312	116.0
245.88795471191406	120.0
246.80860900878906	152.0
249.0712890625	140.0
250.5830841064453	168.0
250.9910125732422	152.0
255.1926727294922	164.0
255.9403839111328	148.0
256.70513916015625	168.0
257.4710388183594	160.0
257.7698059082031	304.0
258.0334167480469	188.0
258.6540222167969	152.0
259.0282897949219	172.0
259.0542907714844	144.0
259.4003601074219	164.0
259.4548645019531	156.0
259.50616455078125	140.0
261.34332275390625	144.0
262.4706726074219	144.0
264.05950927734375	160.0
264.29241943359375	148.0
265.8867492675781	200.0
268.34588623046875	160.0
276.1119689941406	188.0
276.7539367675781	148.0
280.12481689453125	148.0
280.6213684082031	144.0
284.9101257324219	172.0
284.9470520019531	236.0
285.3017578125	216.0
285.5169372558594	140.0
285.7019348144531	152.0
286.07037353515625	1644.0
286.1070556640625	272.0
286.1523742675781	368.0
286.3866271972656	100.0
286.4981689453125	204.0
286.5423889160156	136.0
286.58740234375	176.0
286.6847229003906	108.0
286.8030700683594	144.0
286.84521484375	100.0
286.893798828125	96.0
286.95703125	116.0
287.0680847167969	180.0
287.128662109375	192.0
287.1676025390625	168.0
287.2854919433594	216.0
287.34991455078125	112.0
287.3866271972656	216.0
287.5495910644531	168.0
287.59429931640625	116.0
287.6361999511719	140.0
287.7037353515625	148.0
287.73101806640625	124.0
287.8050231933594	140.0
287.8299865722656	180.0
287.874267578125	152.0
287.9502258300781	144.0
287.97247314453125	252.0
288.00555419921875	240.0
288.0650329589844	888.0
288.1261291503906	640.0
288.1732482910156	165584.0
288.28179931640625	128.0
288.38568115234375	120.0
288.4201965332031	116.0
288.48321533203125	156.0
288.5193176269531	108.0
288.5409851074219	232.0
288.5777282714844	240.0
288.6114807128906	216.0
288.6722106933594	184.0
288.7281188964844	3548.0
288.7680969238281	224.0
288.8986511230469	128.0
288.92010498046875	224.0
289.0232238769531	128.0
289.0824279785156	180.0
289.13140869140625	176.0
289.17486572265625	37820.0
289.2953796386719	156.0
289.3580322265625	220.0
289.38555908203125	192.0
289.5079040527344	220.0
289.5614929199219	192.0
289.6953125	128.0
289.7515563964844	136.0
289.8424072265625	244.0
290.0841369628906	140.0
290.1266784667969	132.0
290.1781921386719	5588.0
290.5885314941406	116.0
290.66015625	216.0
290.72564697265625	168.0
290.86651611328125	176.0
290.9287109375	244.0
291.0000915527344	172.0
291.0923156738281	380.0
291.13763427734375	136.0
291.1790466308594	492.0
291.2530212402344	184.0
291.30133056640625	204.0
291.5829162597656	100.0
292.0675354003906	160.0
292.4140319824219	176.0
292.4934997558594	104.0
294.9512634277344	108.0
301.40716552734375	176.0
309.1443176269531	164.0
461.6327209472656	148.0
467.86700439453125	148.0
840.0274658203125	160.0
914.82421875	140.0
1540.437744140625	148.0
1611.21630859375	176.0
1638.4530029296875	188.0
1661.83447265625	160.0
1664.212646484375	148.0
1690.9423828125	164.0
1769.4693603515625	140.0
1777.155029296875	224.0
1782.9658203125	140.0
1823.558837890625	224.0
1844.1590576171875	164.0
1849.359375	168.0
1849.4791259765625	216.0
1850.8060302734375	152.0
1870.35400390625	156.0
1911.759033203125	164.0
1975.2559814453125	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079084
PEPMASS=358.108124
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_E2_F11_BD2_01_15724.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=BALSALAZIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OC(=O)CCNC(=O)c1ccc(N=Nc2ccc(O)c(c2)C(=O)O)cc1
INCHI=InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)
INCHIAUX=IPOKCKJONYRRHP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079084
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079084
SCANS=1157
45.498809814453125	164.0
56.93583297729492	140.0
66.14927673339844	140.0
71.23906707763672	144.0
77.68663024902344	192.0
87.83963012695312	260.0
98.77216339111328	188.0
103.67981719970703	176.0
108.89330291748047	196.0
113.52314758300781	232.0
114.4283218383789	172.0
116.97374725341797	204.0
118.0676498413086	152.0
119.02506256103516	232.0
123.02249908447266	148.0
126.48682403564453	148.0
127.42870330810547	160.0
128.3515167236328	188.0
129.0718231201172	152.0
129.2889862060547	188.0
130.61399841308594	184.0
139.0543670654297	1120.0
139.07980346679688	180.0
140.0487518310547	268.0
145.25564575195312	140.0
146.02415466308594	312.0
148.02244567871094	140.0
151.12591552734375	196.0
155.60430908203125	192.0
157.4544219970703	152.0
160.0901641845703	176.0
161.3340606689453	164.0
163.17970275878906	160.0
165.03443908691406	140.0
165.07073974609375	436.0
166.05592346191406	196.0
166.08323669433594	156.0
167.0594024658203	428.0
168.04652404785156	156.0
169.93478393554688	172.0
173.073974609375	152.0
175.58514404296875	228.0
179.37405395507812	224.0
186.44493103027344	148.0
188.6554412841797	188.0
195.0535888671875	452.0
196.04673767089844	140.0
196.75856018066406	156.0
203.8766326904297	180.0
218.80416870117188	144.0
220.32887268066406	200.0
222.0694122314453	176.0
223.05166625976562	1836.0
224.05711364746094	536.0
225.06314086914062	292.0
226.7832794189453	148.0
228.305419921875	140.0
233.04518127441406	168.0
241.0640869140625	280.0
250.342041015625	140.0
250.83828735351562	124.0
250.88711547851562	144.0
251.01141357421875	160.0
251.04624938964844	20232.0
251.14700317382812	188.0
251.73171997070312	108.0
252.04833984375	2076.0
253.05728149414062	188.0
255.1836700439453	132.0
257.5126953125	184.0
265.7960205078125	200.0
268.0736389160156	184.0
268.2091369628906	160.0
268.2677917480469	184.0
268.3688659667969	160.0
268.8679504394531	140.0
268.9676208496094	288.0
269.056884765625	23692.0
269.1258239746094	196.0
269.4559631347656	96.0
269.772705078125	156.0
269.9906311035156	104.0
270.0212097167969	244.0
270.0597229003906	3848.0
271.0624084472656	676.0
271.85205078125	120.0
273.5385437011719	192.0
279.19635009765625	156.0
287.06768798828125	740.0
288.0654602050781	192.0
290.0955810546875	156.0
294.0889587402344	260.0
298.0825500488281	136.0
299.97161865234375	160.0
301.5628356933594	172.0
305.8150634765625	140.0
312.0945129394531	156.0
322.0848083496094	424.0
328.734130859375	176.0
331.22515869140625	156.0
339.89849853515625	164.0
340.0946960449219	1864.0
341.0990905761719	300.0
342.0910339355469	196.0
351.7044982910156	208.0
358.10272216796875	2988.0
359.1007385253906	512.0
359.21295166015625	192.0
360.0999450683594	260.0
360.1346435546875	184.0
391.0899658203125	164.0
391.84210205078125	160.0
1786.14501953125	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079085
PEPMASS=313.219757
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_E2_F11_BD2_01_15724.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TIBOLONE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@@H]1CC2=C(CCC(=O)C2)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@H]13
INCHI=InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1
INCHIAUX=WZDGZWOAQTVYBX-XOINTXKNSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079085
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079085
SCANS=1912
51.34904479980469	348.0
52.95014190673828	176.0
71.43557739257812	148.0
71.94112396240234	152.0
79.18648529052734	216.0
84.22867584228516	180.0
86.62742614746094	188.0
87.90472412109375	168.0
91.05155181884766	300.0
92.0578842163086	200.0
93.04788208007812	172.0
93.70370483398438	160.0
95.08634185791016	188.0
97.1075668334961	240.0
102.34464263916016	132.0
103.0502700805664	164.0
105.07072448730469	368.0
107.08393859863281	264.0
107.10599517822266	144.0
109.06961059570312	180.0
110.10515594482422	156.0
111.08548736572266	244.0
115.05518341064453	176.0
116.06040954589844	208.0
116.0904312133789	140.0
117.06996154785156	292.0
119.08415985107422	1068.0
120.09121704101562	188.0
121.06626892089844	144.0
121.10363006591797	340.0
125.10030364990234	176.0
127.27117919921875	188.0
128.0659637451172	200.0
129.06851196289062	340.0
131.0872039794922	1504.0
132.09007263183594	324.0
133.09986877441406	472.0
135.0814971923828	628.0
135.11770629882812	156.0
137.0967559814453	468.0
137.2933807373047	144.0
141.05239868164062	184.0
141.072509765625	316.0
142.0765380859375	420.0
143.0856475830078	416.0
143.22116088867188	140.0
144.0966339111328	168.0
145.0586700439453	184.0
145.10076904296875	712.0
147.0752716064453	536.0
147.11795043945312	428.0
148.1213836669922	152.0
149.09170532226562	428.0
149.12591552734375	180.0
151.10598754882812	160.0
153.07144165039062	200.0
153.12867736816406	144.0
154.08116149902344	144.0
155.08596801757812	568.0
157.1014862060547	600.0
158.10655212402344	208.0
159.11676025390625	552.0
160.11497497558594	144.0
161.09278869628906	272.0
161.1333465576172	128.0
162.09803771972656	340.0
163.1118927001953	372.0
164.11117553710938	144.0
167.08468627929688	204.0
168.0977783203125	144.0
169.10292053222656	416.0
170.11085510253906	160.0
171.0102081298828	168.0
171.08370971679688	468.0
171.11544799804688	484.0
173.09616088867188	164.0
173.13755798339844	312.0
175.11395263671875	328.0
177.12857055664062	412.0
178.07887268066406	176.0
179.08853149414062	164.0
180.0846405029297	148.0
181.1013946533203	364.0
182.10552978515625	276.0
183.11968994140625	428.0
183.15719604492188	168.0
184.12472534179688	160.0
185.13299560546875	156.0
186.1266632080078	156.0
186.15110778808594	148.0
187.10922241210938	328.0
187.14085388183594	336.0
188.1577911376953	208.0
189.1254425048828	156.0
193.09910583496094	236.0
194.0677032470703	176.0
195.11585998535156	332.0
196.12425231933594	200.0
197.0928497314453	140.0
197.13214111328125	292.0
198.9585418701172	160.0
199.11085510253906	184.0
199.14874267578125	392.0
200.11122131347656	144.0
200.15650939941406	220.0
203.1414031982422	148.0
207.1180877685547	284.0
207.1417999267578	124.0
208.12672424316406	140.0
210.15589904785156	208.0
211.1120147705078	244.0
211.147705078125	268.0
213.12698364257812	252.0
213.15965270996094	160.0
215.14492797851562	156.0
218.11529541015625	176.0
219.1187744140625	168.0
221.1340789794922	408.0
222.144775390625	344.0
223.14569091796875	144.0
225.1298065185547	216.0
226.12982177734375	144.0
226.16275024414062	172.0
227.18077087402344	408.0
228.10946655273438	164.0
228.18577575683594	372.0
229.1573028564453	172.0
233.1357879638672	124.0
235.14627075195312	268.0
237.16278076171875	124.0
239.14114379882812	132.0
239.1779022216797	212.0
245.18968200683594	308.0
249.16473388671875	560.0
250.16983032226562	112.0
250.91175842285156	200.0
251.18067932128906	400.0
253.16314697265625	120.0
253.19430541992188	252.0
255.1667938232422	152.0
261.67437744140625	216.0
262.1785888671875	164.0
267.1683044433594	248.0
267.2093200683594	332.0
267.4072570800781	208.0
268.4921569824219	152.0
269.75244140625	236.0
269.9159240722656	148.0
273.93304443359375	156.0
277.1927795410156	2116.0
278.19659423828125	508.0
279.19903564453125	196.0
280.84429931640625	140.0
283.4723205566406	140.0
286.2231140136719	148.0
294.6448669433594	164.0
295.13018798828125	148.0
295.20599365234375	5472.0
296.210693359375	1232.0
297.210205078125	164.0
304.4515075683594	184.0
311.2559814453125	148.0
311.2900085449219	172.0
312.2660827636719	172.0
313.2156677246094	2116.0
314.21826171875	516.0
315.2203063964844	320.0
326.92437744140625	156.0
331.2279968261719	236.0
332.2393798828125	188.0
1711.4783935546875	300.0
1753.578369140625	192.0
1830.4122314453125	164.0
1838.74951171875	148.0
1928.66650390625	176.0
1988.3389892578125	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079086
PEPMASS=419.185608
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_G2_H11_BD3_01_15725.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COCCO/C(=C\1/C(C(=C(C)N=C1C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])/O
INCHI=InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,24H,9-10H2,1-5H3/b20-17+
INCHIAUX=FXLASALIDJKUIQ-LVZFUZTISA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079086
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079086
SCANS=2088
45.00728225708008	156.0
47.02288055419922	152.0
47.03379821777344	148.0
48.383758544921875	148.0
50.22704315185547	212.0
50.74321365356445	152.0
51.5202751159668	184.0
52.20109176635742	152.0
52.399723052978516	140.0
52.59151840209961	164.0
52.66515350341797	140.0
52.955875396728516	176.0
56.04110336303711	156.0
57.651222229003906	232.0
58.2646484375	128.0
58.589942932128906	180.0
60.09758377075195	228.0
60.25661087036133	156.0
61.48332214355469	144.0
62.10287857055664	144.0
62.55699157714844	168.0
63.97541427612305	164.0
65.09622192382812	200.0
65.56597137451172	216.0
68.4906997680664	148.0
68.50881958007812	196.0
70.05110168457031	140.0
72.37046813964844	140.0
75.87786102294922	184.0
76.50849914550781	172.0
77.71267700195312	152.0
77.87769317626953	224.0
78.32093811035156	276.0
79.0713119506836	172.0
82.77544403076172	160.0
82.9910659790039	160.0
84.35649108886719	144.0
85.58966064453125	132.0
85.82523345947266	164.0
86.71070861816406	156.0
87.96621704101562	252.0
87.98861694335938	236.0
88.19783782958984	164.0
88.33434295654297	176.0
88.94145202636719	140.0
88.9940185546875	228.0
90.51756286621094	144.0
90.57816314697266	188.0
90.9744873046875	272.0
91.9318618774414	176.0
92.18202209472656	140.0
93.82501220703125	180.0
93.91178894042969	172.0
94.03334045410156	148.0
96.80565643310547	192.0
102.95117950439453	168.0
105.80599975585938	200.0
108.509033203125	144.0
108.82231903076172	172.0
109.06121826171875	156.0
109.43150329589844	140.0
110.38715362548828	172.0
111.3217544555664	176.0
115.35806274414062	164.0
116.87649536132812	172.0
117.40209197998047	140.0
122.32200622558594	140.0
123.0428695678711	204.0
127.89600372314453	156.0
128.0626220703125	160.0
128.41946411132812	172.0
129.0238494873047	168.0
129.0668487548828	164.0
129.40850830078125	164.0
129.7370147705078	152.0
130.04550170898438	148.0
131.4816131591797	192.0
138.84841918945312	168.0
139.2732391357422	152.0
139.4447479248047	236.0
139.47061157226562	156.0
140.02586364746094	236.0
140.48313903808594	232.0
140.76400756835938	160.0
142.07286071777344	172.0
145.06570434570312	172.0
145.09121704101562	224.0
146.0357666015625	160.0
146.07666015625	212.0
146.72445678710938	228.0
146.9822235107422	160.0
147.0645751953125	164.0
147.31329345703125	200.0
147.93234252929688	164.0
149.04554748535156	156.0
149.587890625	156.0
149.84359741210938	192.0
150.0196075439453	544.0
150.0557861328125	176.0
151.0177459716797	176.0
152.0541229248047	160.0
153.27877807617188	152.0
153.58694458007812	212.0
158.09893798828125	156.0
158.29913330078125	148.0
160.56590270996094	148.0
160.83082580566406	144.0
162.3614959716797	168.0
163.60653686523438	156.0
164.07273864746094	144.0
165.95443725585938	148.0
166.04562377929688	136.0
166.08251953125	144.0
166.13140869140625	172.0
166.29818725585938	144.0
167.0742950439453	232.0
167.21315002441406	164.0
167.60714721679688	184.0
168.08067321777344	3024.0
169.08351135253906	552.0
169.15672302246094	168.0
169.21885681152344	188.0
170.06393432617188	204.0
170.09152221679688	196.0
171.1056365966797	608.0
171.9848175048828	156.0
172.05006408691406	148.0
172.10275268554688	132.0
172.40267944335938	204.0
173.0850830078125	308.0
174.0552215576172	164.0
174.08689880371094	160.0
176.0360565185547	656.0
176.74156188964844	160.0
177.03802490234375	284.0
177.6184539794922	168.0
178.05078125	140.0
178.30612182617188	164.0
181.0566864013672	180.0
181.08778381347656	548.0
182.09608459472656	852.0
182.42776489257812	168.0
183.0556182861328	404.0
183.1036376953125	1660.0
183.75814819335938	160.0
184.07403564453125	324.0
184.10598754882812	412.0
184.28733825683594	172.0
184.60629272460938	200.0
185.07981872558594	276.0
185.9255828857422	140.0
186.02871704101562	188.0
186.12374877929688	148.0
187.0154266357422	180.0
187.09860229492188	488.0
188.0714569091797	196.0
188.1084442138672	156.0
188.48806762695312	176.0
189.0627899169922	164.0
189.45660400390625	144.0
189.89244079589844	204.0
190.5979461669922	192.0
191.07635498046875	172.0
192.0211639404297	200.0
194.03976440429688	164.0
194.0615234375	160.0
194.70294189453125	164.0
195.82931518554688	204.0
196.01596069335938	212.0
196.06201171875	560.0
196.1009979248047	348.0
196.23057556152344	156.0
196.5931854248047	156.0
196.98965454101562	164.0
197.05064392089844	140.0
197.08062744140625	144.0
198.0894775390625	952.0
199.09725952148438	348.0
199.17173767089844	144.0
199.24195861816406	184.0
199.46958923339844	216.0
200.03562927246094	388.0
200.07186889648438	316.0
200.60964965820312	140.0
200.747802734375	180.0
201.06939697265625	184.0
202.1800537109375	172.0
203.0923309326172	168.0
204.08627319335938	140.0
206.51307678222656	152.0
206.85072326660156	156.0
207.02536010742188	172.0
207.06459045410156	184.0
207.34909057617188	168.0
208.07504272460938	884.0
209.08131408691406	1204.0
209.29385375976562	188.0
209.8124542236328	180.0
210.0056610107422	232.0
210.06231689453125	180.0
210.09100341796875	3124.0
210.871826171875	168.0
211.09559631347656	1728.0
212.01788330078125	148.0
212.07025146484375	1180.0
212.1037139892578	388.0
212.4439697265625	168.0
213.03048706054688	144.0
213.07183837890625	300.0
213.75152587890625	228.0
214.04501342773438	152.0
214.08514404296875	332.0
214.22555541992188	144.0
215.09414672851562	516.0
215.1884765625	144.0
215.603271484375	168.0
216.07110595703125	156.0
216.4252471923828	140.0
217.0623321533203	364.0
218.04156494140625	152.0
218.06651306152344	156.0
218.19735717773438	164.0
220.17747497558594	144.0
221.0880126953125	156.0
221.26560974121094	140.0
223.08334350585938	352.0
225.07705688476562	376.0
225.11013793945312	196.0
226.08619689941406	4880.0
226.12330627441406	172.0
226.53977966308594	200.0
226.80947875976562	164.0
226.97735595703125	192.0
227.09275817871094	2292.0
227.5842742919922	176.0
228.06617736816406	508.0
228.0958251953125	320.0
228.13926696777344	160.0
228.50616455078125	160.0
229.03387451171875	172.0
229.06947326660156	168.0
229.09405517578125	172.0
230.07745361328125	236.0
230.66539001464844	168.0
231.084716796875	272.0
233.06564331054688	168.0
233.79238891601562	164.0
235.06739807128906	140.0
235.13941955566406	156.0
236.0733642578125	476.0
236.11093139648438	144.0
236.23939514160156	192.0
236.7566680908203	212.0
237.0775604248047	184.0
237.8604278564453	204.0
238.0768585205078	308.0
239.08106994628906	896.0
239.1298370361328	144.0
239.2160186767578	184.0
240.06321716308594	928.0
240.08558654785156	348.0
240.82559204101562	184.0
241.07077026367188	1052.0
241.9728240966797	144.0
242.08082580566406	1600.0
242.44984436035156	200.0
243.0897674560547	1404.0
243.6040496826172	176.0
243.85572814941406	208.0
244.08990478515625	260.0
244.34393310546875	204.0
244.40927124023438	144.0
244.97589111328125	164.0
245.10325622558594	164.0
245.75218200683594	144.0
245.9706268310547	168.0
246.072021484375	184.0
247.62777709960938	176.0
247.9818115234375	164.0
248.32041931152344	148.0
250.05319213867188	144.0
250.10504150390625	180.0
250.25115966796875	144.0
251.11328125	172.0
251.9876708984375	184.0
252.0705108642578	188.0
253.07305908203125	2924.0
253.82345581054688	172.0
253.8600311279297	268.0
254.08213806152344	14300.0
254.45167541503906	148.0
254.8486785888672	172.0
254.96746826171875	188.0
255.01710510253906	164.0
255.08914184570312	21888.0
255.50997924804688	148.0
255.69406127929688	160.0
256.0919494628906	3552.0
256.1452941894531	104.0
256.8531494140625	168.0
256.95904541015625	176.0
257.0943603515625	648.0
257.68109130859375	156.0
257.9239807128906	168.0
257.9527282714844	144.0
258.025634765625	116.0
258.0604553222656	356.0
258.4964294433594	180.0
259.0833435058594	184.0
259.6593322753906	168.0
260.09051513671875	264.0
260.64483642578125	144.0
261.08203125	168.0
262.2216796875	164.0
265.052978515625	136.0
265.81134033203125	212.0
266.065673828125	316.0
266.3599853515625	144.0
267.0754699707031	964.0
267.12908935546875	200.0
268.0491943359375	112.0
268.0791320800781	296.0
269.0627136230469	664.0
270.0716247558594	940.0
270.1128234863281	140.0
270.3833923339844	232.0
271.0390930175781	292.0
271.0836486816406	1136.0
272.05218505859375	152.0
272.0839538574219	356.0
273.08660888671875	392.0
273.8734436035156	140.0
273.9920349121094	164.0
274.07354736328125	184.0
274.0964050292969	108.0
275.10009765625	148.0
276.79486083984375	200.0
276.9882507324219	168.0
277.64117431640625	168.0
279.0523986816406	156.0
280.0673828125	140.0
280.4145812988281	152.0
280.67724609375	180.0
282.10284423828125	324.0
282.1663513183594	152.0
282.3000793457031	168.0
282.8287048339844	168.0
283.03289794921875	176.0
283.07086181640625	7896.0
283.3577880859375	224.0
283.9075012207031	212.0
284.07952880859375	12220.0
284.592041015625	144.0
285.00054931640625	128.0
285.06622314453125	3284.0
285.51611328125	148.0
286.06158447265625	512.0
287.0793762207031	10044.0
287.14276123046875	232.0
288.03045654296875	172.0
288.0819396972656	2492.0
288.1612243652344	156.0
289.0867919921875	456.0
289.1292724609375	184.0
290.0908203125	160.0
294.08795166015625	156.0
294.685546875	228.0
295.8190612792969	172.0
296.1519470214844	360.0
296.3175048828125	168.0
298.6414794921875	160.0
298.6861877441406	140.0
298.8375549316406	144.0
299.0663146972656	880.0
299.7982482910156	156.0
300.0700378417969	376.0
300.12060546875	108.0
300.24212646484375	116.0
300.30511474609375	180.0
300.6224365234375	172.0
300.7205810546875	108.0
300.7724609375	96.0
300.8113708496094	324.0
300.8768615722656	168.0
300.9128723144531	140.0
300.9445495605469	152.0
301.0140380859375	328.0
301.0828857421875	86644.0
301.35675048828125	144.0
301.43365478515625	132.0
301.6451110839844	376.0
301.7276306152344	172.0
301.7527160644531	120.0
301.86474609375	108.0
302.08587646484375	12184.0
302.484619140625	100.0
302.66339111328125	120.0
302.8409423828125	96.0
302.9008483886719	148.0
303.0856628417969	1884.0
303.1348571777344	264.0
303.5889892578125	160.0
303.7164611816406	144.0
303.8415832519531	104.0
303.94451904296875	96.0
304.0813903808594	308.0
304.1451110839844	204.0
304.16766357421875	124.0
304.19708251953125	128.0
304.26715087890625	192.0
305.089111328125	172.0
305.2724914550781	108.0
305.7042541503906	104.0
305.8951110839844	152.0
310.16259765625	144.0
310.3729248046875	192.0
310.92718505859375	176.0
311.1091003417969	164.0
313.91741943359375	192.0
314.1325378417969	244.0
315.2613525390625	112.0
315.6618347167969	144.0
316.36590576171875	172.0
317.07562255859375	2156.0
317.67706298828125	140.0
317.701904296875	152.0
317.9715576171875	200.0
318.08184814453125	548.0
319.0793762207031	172.0
319.4781494140625	168.0
320.52130126953125	212.0
320.99896240234375	172.0
321.3770446777344	180.0
321.7732238769531	152.0
322.0410461425781	188.0
324.3954772949219	140.0
325.1092224121094	192.0
327.8711242675781	216.0
329.5815734863281	164.0
331.0852355957031	152.0
331.1085510253906	132.0
331.2239990234375	156.0
335.943603515625	104.0
339.0062561035156	140.0
339.89825439453125	184.0
341.1095275878906	116.0
341.4990234375	144.0
341.55419921875	180.0
342.1160888671875	364.0
342.17242431640625	160.0
342.3614501953125	156.0
342.5029602050781	184.0
342.7153015136719	168.0
342.8408203125	172.0
342.8710632324219	180.0
342.9498291015625	156.0
342.9780578613281	360.0
343.01068115234375	148.0
343.07470703125	412.0
343.13043212890625	148900.0
343.25457763671875	104.0
343.4764099121094	128.0
343.52044677734375	96.0
343.62066650390625	136.0
343.6445617675781	224.0
343.70123291015625	140.0
343.73785400390625	976.0
343.792724609375	176.0
343.9833984375	104.0
344.065185546875	248.0
344.1327819824219	32012.0
344.2470397949219	112.0
344.40948486328125	172.0
344.5611572265625	200.0
344.6627502441406	144.0
344.7352600097656	244.0
344.84136962890625	128.0
344.98052978515625	136.0
345.0433349609375	128.0
345.13433837890625	4728.0
345.3157958984375	108.0
345.47967529296875	136.0
345.8102111816406	244.0
345.87890625	192.0
345.934814453125	184.0
345.9939880371094	100.0
346.04888916015625	248.0
346.13629150390625	716.0
346.1927490234375	152.0
346.2286071777344	104.0
346.4208679199219	188.0
346.482177734375	228.0
346.5702819824219	112.0
346.6046142578125	180.0
346.6639099121094	248.0
347.1355895996094	244.0
347.4698181152344	112.0
348.3514709472656	132.0
355.4578857421875	128.0
357.57269287109375	216.0
358.8421325683594	180.0
359.0268859863281	152.0
359.124267578125	21656.0
359.20025634765625	128.0
359.28125	100.0
359.35504150390625	140.0
360.1293029785156	3788.0
360.31024169921875	172.0
360.7939758300781	152.0
361.1274719238281	460.0
362.1136779785156	140.0
362.48931884765625	112.0
375.1170654296875	1560.0
375.2679748535156	180.0
376.1178894042969	312.0
377.12841796875	316.0
379.1333923339844	156.0
387.1591796875	376.0
388.15484619140625	160.0
401.1658935546875	328.0
402.1709899902344	148.0
417.16363525390625	1892.0
418.169677734375	660.0
419.1793518066406	296.0
420.175537109375	152.0
422.1838684082031	120.0
435.4911193847656	144.0
560.1199340820312	156.0
1341.03076171875	148.0
1342.809814453125	152.0
1486.3912353515625	180.0
1504.547607421875	144.0
1670.7828369140625	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079087
PEPMASS=155.592163
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_G2_H11_BD3_01_15725.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Fluperlapine [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCN(CC1)C2=Nc3cc(F)ccc3Cc4ccccc24
INCHI=InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3
INCHIAUX=OBWGMKKHCLHVIE-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079087
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079087
SCANS=1077
45.04607009887695	192.0
45.1998176574707	144.0
45.7521858215332	124.0
45.97520065307617	200.0
46.214378356933594	148.0
46.413490295410156	176.0
46.52881622314453	184.0
46.667396545410156	160.0
47.24977493286133	192.0
47.52104568481445	144.0
47.6088981628418	200.0
48.24351501464844	144.0
48.6624870300293	148.0
48.70496368408203	116.0
48.95309829711914	196.0
49.040870666503906	160.0
49.204078674316406	140.0
49.83293151855469	156.0
50.05279541015625	140.0
50.36967468261719	172.0
50.45729064941406	144.0
50.5463981628418	212.0
50.6100959777832	152.0
50.662498474121094	188.0
51.1253776550293	228.0
51.19086456298828	172.0
51.2535400390625	152.0
51.434661865234375	216.0
51.500343322753906	168.0
52.086181640625	152.0
52.20115661621094	176.0
52.23855209350586	140.0
52.340736389160156	240.0
52.435813903808594	304.0
52.48408126831055	216.0
52.55839157104492	164.0
52.64067077636719	172.0
52.665470123291016	208.0
52.73023986816406	168.0
52.798187255859375	172.0
52.824222564697266	188.0
52.8343505859375	164.0
52.99650192260742	200.0
53.219871520996094	184.0
53.30266571044922	184.0
53.35019302368164	160.0
53.660728454589844	164.0
53.6811408996582	184.0
53.82852554321289	180.0
54.26555252075195	212.0
54.54054260253906	152.0
54.63612365722656	148.0
54.8115119934082	164.0
54.92190170288086	164.0
55.550567626953125	152.0
55.60101318359375	164.0
55.82087707519531	156.0
56.16938400268555	164.0
56.18728256225586	156.0
56.439697265625	148.0
56.62376022338867	164.0
56.6791877746582	140.0
56.93270492553711	152.0
57.03036117553711	148.0
57.07696533203125	140.0
57.093505859375	144.0
57.16120147705078	180.0
57.329856872558594	220.0
57.4444465637207	228.0
57.544647216796875	172.0
57.557640075683594	224.0
57.669429779052734	148.0
57.711761474609375	168.0
57.771175384521484	168.0
57.820674896240234	148.0
57.976661682128906	148.0
58.1905403137207	216.0
58.613380432128906	188.0
58.648433685302734	152.0
59.227535247802734	232.0
59.24898147583008	168.0
59.33173751831055	164.0
59.883384704589844	156.0
59.986732482910156	112.0
60.13932800292969	252.0
60.22270584106445	204.0
60.52182388305664	180.0
60.733482360839844	148.0
60.771663665771484	228.0
60.85452651977539	152.0
60.868499755859375	164.0
61.410072326660156	176.0
61.99948501586914	160.0
62.07159423828125	252.0
62.184547424316406	144.0
62.426483154296875	140.0
62.549285888671875	152.0
62.97808837890625	148.0
62.996734619140625	164.0
63.012840270996094	208.0
63.19782638549805	208.0
63.231056213378906	160.0
63.243717193603516	228.0
63.68180847167969	224.0
63.82594299316406	172.0
64.19058990478516	148.0
64.378662109375	196.0
64.50621032714844	220.0
64.5434799194336	172.0
64.82200622558594	164.0
64.96951293945312	148.0
65.2730712890625	156.0
65.29718780517578	148.0
65.372802734375	208.0
65.54026794433594	168.0
65.55477142333984	148.0
65.69988250732422	176.0
65.92269897460938	188.0
65.93563079833984	176.0
66.11028289794922	152.0
66.7266616821289	204.0
68.81400299072266	164.0
68.94119262695312	256.0
69.31849670410156	160.0
69.75350189208984	152.0
70.18118286132812	148.0
70.25623321533203	200.0
70.51171112060547	180.0
70.59696960449219	160.0
70.93773651123047	136.0
71.3246078491211	196.0
71.46923828125	224.0
71.8323745727539	132.0
72.36209869384766	148.0
72.38580322265625	148.0
72.4078140258789	272.0
72.4857406616211	176.0
73.32865142822266	156.0
73.57257843017578	184.0
73.74851989746094	184.0
73.88360595703125	140.0
74.03936767578125	204.0
74.27589416503906	140.0
74.36683654785156	192.0
74.68641662597656	212.0
74.78276824951172	140.0
74.80235290527344	96.0
75.17916107177734	204.0
75.5091323852539	164.0
75.7081527709961	188.0
76.42680358886719	200.0
76.44767761230469	200.0
76.97063446044922	208.0
77.15933227539062	176.0
77.2712631225586	140.0
77.37277221679688	172.0
77.4901123046875	184.0
77.81106567382812	148.0
77.87954711914062	216.0
77.94572448730469	192.0
78.0847396850586	188.0
78.2101058959961	212.0
78.32103729248047	200.0
78.57840728759766	148.0
78.66035461425781	184.0
78.74964141845703	140.0
78.90514373779297	172.0
78.952880859375	204.0
79.21529388427734	216.0
79.44174194335938	164.0
80.00507354736328	236.0
80.20101928710938	160.0
80.30086517333984	164.0
80.36852264404297	160.0
80.56861877441406	236.0
80.94959259033203	180.0
81.11800384521484	192.0
81.53800964355469	188.0
81.56317138671875	180.0
81.72322082519531	180.0
81.93927764892578	164.0
82.48905181884766	124.0
82.51499938964844	144.0
83.36873626708984	180.0
83.59968566894531	144.0
83.62516784667969	144.0
83.65088653564453	152.0
83.718017578125	156.0
84.19000244140625	152.0
84.31455993652344	184.0
84.35842895507812	180.0
84.44802856445312	156.0
84.95175170898438	152.0
85.17937469482422	152.0
85.26021575927734	148.0
85.27491760253906	196.0
85.444091796875	160.0
85.48641204833984	140.0
85.63921356201172	188.0
86.01905059814453	192.0
86.25276947021484	156.0
86.3165054321289	184.0
86.4237289428711	128.0
86.7108154296875	144.0
86.83502960205078	188.0
87.22494506835938	188.0
87.29467010498047	120.0
87.34209442138672	152.0
87.4853744506836	152.0
88.1288070678711	144.0
88.28956604003906	200.0
88.91716766357422	140.0
88.97911071777344	204.0
89.09178924560547	184.0
89.2601547241211	200.0
90.0443344116211	192.0
90.16014099121094	192.0
90.31517791748047	204.0
90.5707015991211	216.0
90.76590728759766	152.0
91.1721420288086	208.0
91.42316436767578	212.0
91.53547668457031	176.0
92.02742004394531	188.0
92.09043884277344	216.0
92.27962493896484	148.0
92.47282409667969	168.0
92.53355407714844	216.0
92.58961486816406	152.0
92.61370086669922	164.0
92.6700668334961	192.0
92.83683013916016	148.0
93.02677917480469	168.0
93.15159606933594	180.0
93.16888427734375	192.0
93.20154571533203	164.0
93.37263488769531	164.0
94.17633056640625	184.0
94.26326751708984	196.0
94.3792495727539	144.0
94.4353256225586	172.0
94.84968566894531	228.0
94.86906433105469	172.0
95.13095092773438	180.0
95.57991027832031	144.0
95.69669342041016	188.0
96.14892578125	180.0
96.18451690673828	188.0
96.21724700927734	140.0
96.33246612548828	288.0
96.60809326171875	212.0
96.87628936767578	220.0
96.97229766845703	200.0
97.34111785888672	220.0
97.87202453613281	164.0
98.08282470703125	176.0
98.92827606201172	212.0
99.05699157714844	188.0
99.09231567382812	2620.0
99.12435150146484	176.0
99.33649444580078	140.0
99.41585540771484	148.0
99.65413665771484	148.0
99.86882781982422	256.0
100.09896087646484	788.0
100.54822540283203	156.0
100.56818389892578	140.0
100.60411071777344	148.0
100.77786254882812	152.0
100.82968139648438	172.0
100.86579895019531	172.0
100.98976135253906	192.0
101.03176879882812	160.0
101.10816192626953	42080.0
101.66471862792969	152.0
101.76451873779297	208.0
101.82241821289062	160.0
102.11084747314453	2152.0
102.5731201171875	144.0
102.89895629882812	164.0
103.00584411621094	196.0
103.02806091308594	188.0
103.11087036132812	200.0
103.40213775634766	160.0
103.68364715576172	216.0
103.72621154785156	192.0
103.80122375488281	148.0
104.97657775878906	148.0
105.01329040527344	180.0
105.42557525634766	372.0
105.54132080078125	404.0
105.72630310058594	164.0
105.74881744384766	164.0
105.95973205566406	164.0
106.04169464111328	140.0
106.06834411621094	184.0
106.55367279052734	96.0
106.69239044189453	172.0
107.03108978271484	396.0
107.47883605957031	128.0
107.55551147460938	172.0
107.5926742553711	156.0
108.03707122802734	280.0
108.17150115966797	168.0
109.00732421875	196.0
109.0462417602539	580.0
109.90060424804688	144.0
110.16365814208984	164.0
110.27439880371094	140.0
110.43748474121094	160.0
110.83314514160156	164.0
111.04475402832031	160.0
111.29450225830078	156.0
111.9675064086914	148.0
112.0285873413086	160.0
112.0629653930664	176.0
112.35639190673828	164.0
112.82206726074219	148.0
113.04084014892578	184.0
113.69261169433594	208.0
113.79449462890625	200.0
113.97928619384766	192.0
114.03453826904297	148.0
114.58993530273438	192.0
116.05020141601562	412.0
116.7045669555664	224.0
117.10293579101562	168.0
117.81449890136719	144.0
117.86203002929688	144.0
118.06523132324219	200.0
118.3681869506836	152.0
118.45915222167969	148.0
118.59132385253906	200.0
118.74092102050781	148.0
118.83203125	156.0
119.15335083007812	188.0
119.4853744506836	216.0
119.77550506591797	248.0
119.9498291015625	164.0
119.98252868652344	172.0
120.08283233642578	172.0
120.15481567382812	188.0
120.33763122558594	220.0
120.45388793945312	344.0
120.5675048828125	144.0
120.67461395263672	144.0
121.07942962646484	168.0
121.12944030761719	120.0
121.1451416015625	140.0
121.4607925415039	140.0
121.48931121826172	204.0
122.40673065185547	136.0
122.47189331054688	220.0
122.64816284179688	248.0
122.79588317871094	188.0
123.0099105834961	168.0
123.04081726074219	168.0
123.13134765625	240.0
124.05557250976562	272.0
124.16931915283203	188.0
125.03685760498047	204.0
125.53924560546875	172.0
125.80475616455078	228.0
126.04712677001953	172.0
126.2270278930664	172.0
126.79339599609375	176.0
126.84270477294922	148.0
126.95704650878906	212.0
127.05574035644531	296.0
127.12080383300781	152.0
127.14549255371094	168.0
128.0560302734375	208.0
128.19570922851562	168.0
128.3399658203125	184.0
128.62648010253906	172.0
129.02857971191406	148.0
129.0738067626953	180.0
129.74624633789062	236.0
130.04566955566406	140.0
130.07325744628906	132.0
130.25228881835938	144.0
130.5022735595703	180.0
130.82305908203125	184.0
131.0324249267578	128.0
131.2601318359375	172.0
131.2960205078125	188.0
131.47506713867188	132.0
131.5068817138672	148.0
132.02272033691406	172.0
132.1673126220703	140.0
132.52450561523438	164.0
132.54283142089844	156.0
133.01016235351562	192.0
133.0457305908203	844.0
134.05279541015625	240.0
134.23233032226562	152.0
134.3776397705078	176.0
134.6615753173828	140.0
134.88107299804688	152.0
135.9348602294922	152.0
136.05322265625	176.0
136.28082275390625	200.0
136.55978393554688	188.0
136.63421630859375	204.0
136.65283203125	148.0
136.77272033691406	124.0
136.8902587890625	148.0
137.04330444335938	448.0
137.06028747558594	204.0
137.3563690185547	196.0
138.03829956054688	204.0
138.0734100341797	184.0
138.18101501464844	196.0
138.62823486328125	160.0
138.67276000976562	216.0
139.0543212890625	420.0
139.18887329101562	204.0
139.6541748046875	148.0
139.67535400390625	176.0
140.0494842529297	836.0
140.15797424316406	140.0
140.52578735351562	152.0
140.54702758789062	156.0
141.01223754882812	148.0
141.08314514160156	184.0
141.70083618164062	196.0
141.7618408203125	128.0
142.0668182373047	176.0
142.1602783203125	136.0
142.3459930419922	184.0
142.942626953125	252.0
143.02830505371094	160.0
143.0449676513672	164.0
143.57266235351562	160.0
144.04443359375	144.0
144.07754516601562	348.0
144.09666442871094	228.0
144.43850708007812	152.0
145.03712463378906	152.0
145.08985900878906	144.0
145.58413696289062	184.0
146.00228881835938	144.0
146.05606079101562	412.0
147.05557250976562	160.0
147.57447814941406	152.0
147.8308868408203	160.0
147.92527770996094	160.0
148.05517578125	340.0
148.08265686035156	176.0
148.76400756835938	140.0
149.0457305908203	140.0
149.2693634033203	160.0
149.4688262939453	228.0
149.50045776367188	164.0
149.69276428222656	164.0
150.04576110839844	564.0
150.16067504882812	140.0
150.2708740234375	180.0
150.5047607421875	216.0
150.76368713378906	208.0
150.88589477539062	228.0
151.05357360839844	296.0
151.17941284179688	144.0
151.5467071533203	160.0
151.7452392578125	152.0
152.0322265625	180.0
152.06277465820312	264.0
152.73489379882812	188.0
153.06674194335938	152.0
153.589599609375	172.0
153.7252960205078	144.0
154.14508056640625	164.0
154.93798828125	96.0
155.03187561035156	172.0
155.065185546875	180.0
155.17723083496094	172.0
155.24169921875	172.0
155.349365234375	140.0
155.41143798828125	140.0
155.45204162597656	156.0
155.48670959472656	204.0
155.5458984375	204.0
155.5906219482422	93848.0
155.69496154785156	268.0
155.78634643554688	164.0
155.84617614746094	304.0
155.93618774414062	156.0
155.99813842773438	1116.0
156.0913848876953	22044.0
156.14120483398438	168.0
156.18531799316406	136.0
156.25767517089844	152.0
156.30975341796875	100.0
156.34909057617188	112.0
156.41624450683594	176.0
156.59181213378906	2732.0
156.689208984375	144.0
156.7497100830078	96.0
156.87158203125	168.0
157.0458526611328	2364.0
157.09616088867188	216.0
157.1985321044922	120.0
157.43515014648438	224.0
157.60691833496094	108.0
157.6406707763672	284.0
157.68585205078125	156.0
157.72142028808594	176.0
157.87713623046875	120.0
157.92686462402344	120.0
158.041015625	1696.0
158.1221466064453	220.0
158.3429412841797	176.0
158.46214294433594	156.0
158.73284912109375	168.0
158.781494140625	180.0
159.05589294433594	136.0
159.1579132080078	220.0
159.5504608154297	256.0
159.6324920654297	196.0
160.11053466796875	172.0
160.73260498046875	160.0
160.91180419921875	180.0
160.94796752929688	148.0
161.04393005371094	384.0
161.23007202148438	184.0
161.2882080078125	204.0
161.51577758789062	152.0
161.809326171875	200.0
162.04396057128906	436.0
162.17916870117188	148.0
162.38706970214844	152.0
162.5946044921875	120.0
162.61541748046875	148.0
162.7880401611328	140.0
163.05422973632812	6844.0
163.42095947265625	176.0
163.63648986816406	176.0
163.7875518798828	176.0
164.0542449951172	1392.0
164.5945587158203	1412.0
164.68215942382812	184.0
165.03036499023438	144.0
165.06846618652344	988.0
165.09664916992188	424.0
165.2682342529297	180.0
165.34500122070312	140.0
165.4473876953125	140.0
165.48577880859375	176.0
165.71441650390625	192.0
166.03631591796875	156.0
166.07460021972656	140.0
166.3446044921875	180.0
167.02040100097656	152.0
167.0666961669922	144.0
167.18247985839844	140.0
167.61251831054688	192.0
167.98377990722656	156.0
168.0353240966797	856.0
168.0546417236328	452.0
168.4251708984375	184.0
168.54190063476562	172.0
169.0411376953125	172.0
169.06629943847656	188.0
169.08706665039062	140.0
169.34336853027344	164.0
169.45994567871094	164.0
170.05262756347656	3072.0
170.25108337402344	180.0
170.29559326171875	144.0
170.6029052734375	148.0
170.69544982910156	152.0
171.0518341064453	596.0
171.09141540527344	276.0
171.12997436523438	156.0
171.64328002929688	200.0
171.7762908935547	144.0
171.85556030273438	144.0
171.96153259277344	140.0
172.0560302734375	400.0
172.59634399414062	168.0
172.86314392089844	172.0
173.00120544433594	112.0
173.04637145996094	144.0
173.23492431640625	200.0
173.87765502929688	128.0
174.04397583007812	148.0
174.06863403320312	160.0
174.15037536621094	164.0
174.4315185546875	200.0
175.50828552246094	160.0
175.65859985351562	140.0
175.98585510253906	184.0
176.06625366210938	312.0
176.10134887695312	684.0
176.60951232910156	160.0
177.05882263183594	1028.0
177.10182189941406	156.0
177.4145050048828	156.0
177.926513671875	144.0
178.00350952148438	152.0
178.06260681152344	284.0
178.936767578125	168.0
179.02557373046875	288.0
179.06459045410156	140.0
179.45870971679688	180.0
179.67898559570312	108.0
179.6990203857422	172.0
180.0391387939453	264.0
180.07337951660156	148.0
180.2276611328125	164.0
180.5243682861328	228.0
180.78652954101562	164.0
180.85879516601562	168.0
180.94981384277344	176.0
180.97657775878906	156.0
181.04542541503906	2936.0
181.83975219726562	152.0
182.05252075195312	3012.0
182.2638397216797	152.0
182.35670471191406	160.0
182.6377410888672	140.0
182.7388916015625	240.0
182.78570556640625	208.0
182.88258361816406	140.0
182.90142822265625	324.0
182.9604949951172	212.0
182.98104858398438	132.0
183.0243377685547	140.0
183.0615234375	58440.0
183.15318298339844	152.0
183.2054901123047	136.0
183.24342346191406	160.0
183.3201141357422	104.0
183.42166137695312	116.0
183.63287353515625	160.0
183.71946716308594	136.0
183.8447265625	100.0
183.98126220703125	140.0
184.00668334960938	148.0
184.0631866455078	8036.0
184.31459045410156	140.0
184.35169982910156	180.0
184.4740447998047	160.0
184.61903381347656	96.0
184.76202392578125	180.0
185.03402709960938	200.0
185.06350708007812	1704.0
185.11190795898438	160.0
185.26693725585938	140.0
185.47830200195312	184.0
185.605712890625	144.0
185.77658081054688	172.0
185.93667602539062	180.0
186.04632568359375	2000.0
186.07083129882812	404.0
186.96939086914062	172.0
187.05224609375	412.0
187.1211700439453	352.0
187.1517791748047	144.0
187.87672424316406	200.0
188.05162048339844	2116.0
189.05567932128906	1096.0
189.4267120361328	208.0
189.80502319335938	116.0
189.87347412109375	140.0
189.91770935058594	124.0
189.98867797851562	220.0
190.03480529785156	352.0
190.0659637451172	61132.0
190.21095275878906	132.0
190.2667694091797	192.0
190.60595703125	208.0
190.78387451171875	100.0
190.92434692382812	96.0
191.06884765625	6964.0
191.4524383544922	132.0
191.52529907226562	272.0
191.63087463378906	136.0
192.07533264160156	796.0
192.19784545898438	100.0
192.3552703857422	240.0
192.48265075683594	116.0
192.69720458984375	108.0
192.7281036376953	164.0
192.79165649414062	176.0
192.8911590576172	140.0
193.0534210205078	928.0
193.08531188964844	216.0
193.5135955810547	144.0
193.78225708007812	184.0
193.91249084472656	212.0
194.05667114257812	476.0
194.19252014160156	152.0
195.04844665527344	5264.0
195.1227569580078	160.0
195.4398193359375	176.0
196.06346130371094	820.0
196.1358184814453	144.0
197.0662078857422	232.0
197.09886169433594	184.0
197.56297302246094	160.0
197.71322631835938	228.0
197.8456268310547	140.0
198.00802612304688	156.0
198.07174682617188	1824.0
198.54891967773438	208.0
198.6807403564453	224.0
199.04249572753906	148.0
199.07672119140625	324.0
199.12596130371094	324.0
199.44671630859375	176.0
199.66384887695312	176.0
200.08132934570312	216.0
200.12852478027344	244.0
200.46897888183594	156.0
201.04965209960938	136.0
201.0682830810547	424.0
201.5553741455078	148.0
201.7204132080078	164.0
202.06430053710938	180.0
202.2454071044922	192.0
202.94796752929688	156.0
203.07557678222656	176.0
203.33375549316406	328.0
203.52394104003906	196.0
204.043701171875	128.0
204.08419799804688	456.0
205.06610107421875	184.0
206.0397186279297	520.0
206.0886993408203	168.0
206.1759796142578	144.0
206.390380859375	140.0
207.052978515625	312.0
207.15896606445312	144.0
207.29356384277344	180.0
207.43350219726562	144.0
207.6944580078125	172.0
207.80889892578125	168.0
207.9663543701172	196.0
208.05657958984375	50316.0
208.18743896484375	140.0
208.23873901367188	148.0
208.3214874267578	152.0
208.50779724121094	136.0
208.86244201660156	144.0
208.92860412597656	152.0
208.9763946533203	244.0
209.02110290527344	240.0
209.0634765625	24380.0
209.12216186523438	304.0
209.18043518066406	136.0
209.23301696777344	196.0
209.336181640625	172.0
209.39520263671875	104.0
209.42666625976562	180.0
209.6184539794922	108.0
209.70703125	108.0
209.7804412841797	160.0
209.82179260253906	188.0
209.84466552734375	100.0
209.9250030517578	136.0
209.98231506347656	284.0
210.0109405517578	284.0
210.03941345214844	404.0
210.07321166992188	191880.0
210.14898681640625	308.0
210.21961975097656	112.0
210.24119567871094	172.0
210.2833251953125	288.0
210.3495635986328	332.0
210.37281799316406	212.0
210.5012969970703	296.0
210.52308654785156	160.0
210.54684448242188	2260.0
210.57550048828125	416.0
210.6110076904297	192.0
210.64857482910156	164.0
210.70323181152344	100.0
210.73728942871094	200.0
210.7594757080078	128.0
210.8260498046875	188.0
210.90219116210938	264.0
210.93951416015625	188.0
211.00352478027344	176.0
211.07981872558594	134192.0
211.18170166015625	128.0
211.25279235839844	260.0
211.36236572265625	144.0
211.4055938720703	196.0
211.42868041992188	124.0
211.4793243408203	124.0
211.55393981933594	496.0
211.5919952392578	160.0
211.61602783203125	188.0
211.85916137695312	224.0
211.9075469970703	188.0
212.00991821289062	152.0
212.08358764648438	14948.0
212.21217346191406	152.0
212.31883239746094	212.0
212.3587646484375	124.0
212.4099578857422	176.0
212.45108032226562	220.0
212.49142456054688	216.0
212.5341339111328	112.0
212.57699584960938	128.0
212.60565185546875	100.0
212.6537322998047	120.0
212.6958770751953	288.0
213.08750915527344	1320.0
213.39556884765625	120.0
213.45758056640625	128.0
213.51785278320312	124.0
213.55206298828125	192.0
213.5795135498047	260.0
213.6360626220703	116.0
213.70042419433594	116.0
213.77435302734375	96.0
213.8129119873047	112.0
213.84588623046875	156.0
213.8736114501953	188.0
214.04232788085938	1356.0
214.09274291992188	408.0
214.6671905517578	144.0
214.75546264648438	116.0
215.04808044433594	156.0
215.3137969970703	204.0
217.08482360839844	264.0
218.0685272216797	208.0
219.02891540527344	120.0
219.08395385742188	148.0
219.7113800048828	156.0
220.1021728515625	128.0
221.0443115234375	468.0
222.0685577392578	764.0
222.2884521484375	144.0
223.06936645507812	412.0
224.07948303222656	1184.0
224.9342803955078	148.0
225.08009338378906	712.0
226.0821075439453	164.0
226.0938720703125	156.0
227.08851623535156	288.0
228.08203125	252.0
228.14857482910156	156.0
229.08447265625	148.0
233.126708984375	204.0
235.0817413330078	624.0
236.08456420898438	116.0
237.07838439941406	1032.0
238.0843505859375	344.0
239.0399169921875	640.0
239.1010284423828	148.0
240.10340881347656	116.0
241.10086059570312	164.0
247.1929473876953	188.0
251.09478759765625	596.0
252.103515625	236.0
253.11074829101562	296.0
253.30718994140625	168.0
254.10765075683594	140.0
254.13461303710938	192.0
265.1169128417969	144.0
266.113525390625	148.0
267.1274719238281	184.0
277.1177978515625	172.0
310.16387939453125	124.0
354.0628967285156	144.0
413.8742370605469	232.0
448.3064270019531	184.0
1163.8905029296875	168.0
1164.97705078125	184.0
1168.2060546875	164.0
1262.6802978515625	200.0
1284.963623046875	180.0
1298.526123046875	152.0
1340.13623046875	168.0
1348.155517578125	144.0
1350.1072998046875	188.0
1356.667724609375	180.0
1365.545166015625	208.0
1374.695068359375	172.0
1377.7518310546875	148.0
1385.20849609375	228.0
1390.2056884765625	156.0
1399.504638671875	148.0
1399.862060546875	200.0
1405.676513671875	144.0
1413.7545166015625	188.0
1416.981689453125	152.0
1418.8028564453125	248.0
1427.3846435546875	236.0
1430.5294189453125	188.0
1430.7252197265625	204.0
1436.218505859375	172.0
1458.7835693359375	200.0
1463.294921875	240.0
1475.0048828125	180.0
1475.5323486328125	216.0
1490.4320068359375	172.0
1491.162109375	204.0
1491.261962890625	212.0
1493.7994384765625	144.0
1499.0501708984375	160.0
1509.76513671875	180.0
1510.291015625	140.0
1513.2857666015625	152.0
1514.74169921875	176.0
1522.1173095703125	192.0
1524.4398193359375	188.0
1525.0072021484375	148.0
1526.762939453125	120.0
1531.465087890625	188.0
1532.2362060546875	144.0
1533.9739990234375	140.0
1536.64892578125	172.0
1543.16259765625	188.0
1545.9942626953125	140.0
1550.4501953125	156.0
1551.0067138671875	164.0
1551.2967529296875	208.0
1551.6102294921875	176.0
1557.8570556640625	148.0
1576.9334716796875	152.0
1578.80712890625	144.0
1583.52392578125	200.0
1584.2923583984375	188.0
1586.7332763671875	168.0
1588.9141845703125	148.0
1589.0887451171875	152.0
1598.034912109375	200.0
1601.02783203125	152.0
1604.6932373046875	160.0
1613.275390625	216.0
1616.418701171875	168.0
1630.7415771484375	144.0
1636.4530029296875	164.0
1638.00732421875	212.0
1647.776611328125	200.0
1652.9512939453125	200.0
1655.7684326171875	164.0
1660.9151611328125	148.0
1661.872314453125	200.0
1671.2242431640625	168.0
1673.0472412109375	160.0
1674.0732421875	152.0
1674.6595458984375	144.0
1681.6468505859375	160.0
1681.9326171875	152.0
1684.3494873046875	196.0
1689.5355224609375	196.0
1691.586181640625	196.0
1691.7171630859375	156.0
1693.3056640625	164.0
1708.3182373046875	144.0
1712.6068115234375	164.0
1717.03271484375	208.0
1723.264892578125	160.0
1730.2783203125	200.0
1730.940673828125	152.0
1736.1768798828125	144.0
1739.1065673828125	140.0
1743.616455078125	192.0
1744.372802734375	204.0
1745.1292724609375	292.0
1746.6275634765625	168.0
1747.0294189453125	160.0
1751.712158203125	148.0
1756.9556884765625	216.0
1757.948486328125	160.0
1759.6512451171875	232.0
1766.2781982421875	140.0
1774.5185546875	148.0
1781.2825927734375	212.0
1784.307861328125	152.0
1785.787841796875	204.0
1788.480224609375	144.0
1791.065185546875	140.0
1791.368408203125	220.0
1795.0599365234375	176.0
1795.5238037109375	148.0
1795.8779296875	208.0
1797.5107421875	136.0
1802.2769775390625	212.0
1805.3369140625	172.0
1810.64306640625	148.0
1814.31201171875	156.0
1823.3858642578125	216.0
1825.1199951171875	192.0
1828.03759765625	144.0
1834.3912353515625	176.0
1836.1988525390625	164.0
1837.5892333984375	176.0
1838.5279541015625	232.0
1842.0113525390625	152.0
1849.0823974609375	204.0
1850.143798828125	200.0
1853.0985107421875	184.0
1855.729736328125	168.0
1858.84326171875	140.0
1862.036865234375	176.0
1864.2188720703125	208.0
1866.3677978515625	220.0
1866.9783935546875	192.0
1870.02392578125	156.0
1872.305419921875	144.0
1879.1409912109375	204.0
1882.3604736328125	220.0
1883.9150390625	160.0
1886.0667724609375	172.0
1887.0867919921875	140.0
1892.0615234375	152.0
1892.234619140625	156.0
1895.6473388671875	180.0
1900.0172119140625	192.0
1901.509765625	164.0
1909.0244140625	172.0
1910.1898193359375	164.0
1910.8248291015625	164.0
1911.9647216796875	192.0
1913.174560546875	156.0
1913.5228271484375	240.0
1913.61865234375	152.0
1914.611328125	168.0
1922.623046875	176.0
1945.3800048828125	224.0
1946.2579345703125	144.0
1948.3394775390625	208.0
1948.5537109375	136.0
1949.0408935546875	124.0
1955.629150390625	164.0
1956.9671630859375	216.0
1957.680419921875	192.0
1958.02392578125	152.0
1963.4879150390625	160.0
1965.366943359375	148.0
1974.713134765625	200.0
1974.9873046875	180.0
1979.6868896484375	152.0
1980.6256103515625	248.0
1980.85595703125	168.0
1982.1937255859375	192.0
1984.5159912109375	180.0
1985.9615478515625	152.0
1986.5380859375	176.0
1986.7432861328125	148.0
1991.2601318359375	168.0
1992.8323974609375	172.0
1995.9700927734375	196.0
1996.4324951171875	184.0
2001.656005859375	140.0
2002.3773193359375	164.0
2002.7335205078125	188.0
2002.956298828125	200.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079088
PEPMASS=310.17627
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_G2_H11_BD3_01_15725.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Fluperlapine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCN(CC1)C2=Nc3cc(F)ccc3Cc4ccccc24
INCHI=InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3
INCHIAUX=OBWGMKKHCLHVIE-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079088
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079088
SCANS=1087
44.901954650878906	172.0
46.294281005859375	144.0
46.30376052856445	164.0
46.74088668823242	160.0
47.90190124511719	144.0
48.19023513793945	184.0
48.293914794921875	156.0
48.9461784362793	352.0
49.6827507019043	248.0
49.87934875488281	216.0
50.115779876708984	140.0
50.440372467041016	140.0
51.461830139160156	152.0
51.54753112792969	144.0
51.681941986083984	192.0
52.381107330322266	144.0
53.302852630615234	188.0
53.342735290527344	140.0
55.19220733642578	196.0
55.69459915161133	168.0
55.72134017944336	148.0
56.341102600097656	140.0
56.420310974121094	152.0
56.46516799926758	148.0
57.25157165527344	180.0
57.467124938964844	144.0
57.547119140625	248.0
57.85662078857422	140.0
58.765907287597656	180.0
59.71413803100586	152.0
59.72490310668945	220.0
60.19032669067383	160.0
60.80490493774414	156.0
61.711517333984375	180.0
62.39509201049805	148.0
62.689430236816406	152.0
63.38313674926758	204.0
63.9898796081543	180.0
64.92786407470703	160.0
65.26348114013672	164.0
65.29241943359375	172.0
65.8952865600586	152.0
66.7477035522461	212.0
66.923583984375	184.0
67.12237548828125	148.0
67.20230102539062	144.0
67.31329345703125	176.0
67.81881713867188	156.0
68.15852355957031	196.0
68.3212890625	188.0
68.66390228271484	152.0
69.2176513671875	140.0
69.35004425048828	144.0
69.93801879882812	172.0
70.68903350830078	140.0
70.89836120605469	272.0
72.2098617553711	192.0
72.68419647216797	160.0
73.02226257324219	168.0
74.29483032226562	140.0
75.07054901123047	172.0
75.08434295654297	144.0
75.17577362060547	200.0
75.2603530883789	144.0
75.55071258544922	172.0
77.27832794189453	224.0
77.29757690429688	152.0
78.30701446533203	176.0
78.85748291015625	176.0
79.17416381835938	228.0
79.53762817382812	160.0
79.82722473144531	168.0
80.35266876220703	148.0
80.366943359375	172.0
80.6473159790039	180.0
81.3189697265625	152.0
81.5003433227539	164.0
82.15568542480469	168.0
82.79734802246094	188.0
82.8843002319336	308.0
83.55609130859375	208.0
84.62926483154297	184.0
84.72633361816406	188.0
86.39981079101562	160.0
86.60157775878906	224.0
87.21387481689453	172.0
87.28755187988281	196.0
88.09151458740234	148.0
88.41273498535156	200.0
88.45054626464844	172.0
88.881591796875	156.0
88.96417236328125	220.0
89.01861572265625	140.0
89.3343734741211	228.0
89.35694885253906	264.0
89.4341049194336	148.0
90.25284576416016	180.0
90.66741180419922	156.0
91.05814361572266	320.0
92.1707534790039	236.0
92.66439819335938	184.0
92.68355560302734	144.0
93.069091796875	208.0
93.29196166992188	220.0
93.33810424804688	204.0
93.73270416259766	184.0
93.79437255859375	148.0
94.06715393066406	1008.0
94.09724426269531	156.0
94.17448425292969	180.0
95.06724548339844	212.0
95.37578582763672	156.0
95.58777618408203	152.0
95.66951751708984	156.0
95.7258071899414	176.0
95.85064697265625	152.0
96.08171844482422	14660.0
96.14156341552734	180.0
96.21187591552734	124.0
97.01060485839844	704.0
97.08891296386719	2572.0
97.26071166992188	144.0
97.65957641601562	160.0
97.69329833984375	168.0
97.8209228515625	156.0
98.01690673828125	188.0
98.09730529785156	172.0
98.39459228515625	200.0
99.10034942626953	212.0
100.13362884521484	180.0
100.74998474121094	172.0
100.911865234375	208.0
101.16793823242188	176.0
101.693115234375	152.0
102.30216217041016	156.0
102.77376556396484	160.0
103.05643463134766	140.0
103.6290283203125	172.0
104.24180603027344	160.0
104.27228546142578	196.0
105.07292175292969	148.0
105.15007781982422	160.0
105.49935913085938	156.0
106.03768920898438	268.0
106.06843566894531	180.0
106.24684143066406	232.0
106.7562255859375	196.0
106.86416625976562	184.0
107.01960754394531	184.0
107.48750305175781	148.0
107.56179809570312	164.0
107.78485107421875	184.0
107.82411193847656	184.0
108.01432800292969	156.0
108.08690643310547	180.0
108.1488265991211	192.0
108.23784637451172	228.0
108.79763793945312	180.0
109.00741577148438	140.0
109.0427474975586	216.0
109.44839477539062	160.0
109.88609313964844	144.0
110.41666412353516	280.0
110.98892974853516	284.0
111.02731323242188	772.0
111.9970932006836	152.0
112.11332702636719	164.0
112.88348388671875	140.0
113.00450897216797	128.0
113.55624389648438	160.0
114.96744537353516	192.0
115.05555725097656	852.0
115.22795104980469	156.0
116.06053161621094	224.0
116.24842071533203	216.0
116.49620819091797	148.0
116.75627899169922	164.0
116.8337173461914	140.0
116.96282958984375	212.0
117.07125854492188	512.0
118.07398223876953	184.0
120.60476684570312	168.0
121.89779663085938	192.0
122.0428695678711	200.0
122.59978485107422	176.0
122.6240234375	164.0
122.73424530029297	148.0
123.02652740478516	948.0
123.21318817138672	148.0
124.07331848144531	232.0
124.23375701904297	140.0
125.00447082519531	288.0
125.02507781982422	192.0
125.16722106933594	140.0
125.76022338867188	164.0
125.78477478027344	156.0
126.0706558227539	164.0
127.05360412597656	184.0
127.09174346923828	152.0
127.11418151855469	144.0
128.0619354248047	904.0
128.3040008544922	172.0
128.40321350097656	184.0
128.44607543945312	160.0
128.60853576660156	140.0
128.74398803710938	156.0
128.87953186035156	208.0
129.02191162109375	200.0
129.07192993164062	1368.0
129.3363494873047	208.0
129.9686279296875	160.0
130.07061767578125	428.0
130.2296905517578	148.0
131.13294982910156	140.0
131.18309020996094	168.0
131.44122314453125	176.0
132.06448364257812	160.0
132.28872680664062	144.0
133.0635986328125	160.0
134.6686248779297	176.0
134.8719482421875	144.0
135.02645874023438	1132.0
135.844482421875	248.0
136.02781677246094	280.0
136.0556640625	152.0
137.00894165039062	168.0
137.04177856445312	144.0
137.48715209960938	140.0
138.03611755371094	144.0
138.12799072265625	812.0
139.02288818359375	316.0
139.085693359375	144.0
139.62843322753906	152.0
139.82334899902344	136.0
140.4905242919922	140.0
140.51174926757812	204.0
140.82098388671875	264.0
141.07061767578125	1488.0
141.59286499023438	108.0
141.670166015625	156.0
141.6995849609375	380.0
141.97499084472656	196.0
142.07333374023438	176.0
142.72630310058594	152.0
142.9532928466797	140.0
143.07850646972656	116.0
144.05616760253906	156.0
144.78176879882812	164.0
144.80723571777344	168.0
145.06671142578125	344.0
145.18589782714844	144.0
146.06976318359375	200.0
147.0240478515625	272.0
147.168701171875	168.0
148.03919982910156	220.0
149.40325927734375	192.0
149.9681854248047	144.0
150.0047607421875	180.0
150.0535125732422	152.0
150.0712432861328	276.0
150.34378051757812	160.0
150.57569885253906	200.0
150.9349365234375	204.0
151.05262756347656	196.0
151.0792236328125	140.0
151.42926025390625	156.0
151.45375061035156	168.0
151.6536407470703	208.0
152.069091796875	132.0
153.0697784423828	360.0
154.07781982421875	156.0
154.64230346679688	152.0
155.0635528564453	352.0
155.0870361328125	1768.0
156.09127807617188	304.0
156.56141662597656	148.0
156.6386260986328	140.0
157.06390380859375	264.0
157.10227966308594	148.0
158.09921264648438	200.0
159.0562286376953	896.0
159.09999084472656	220.0
159.9791717529297	176.0
160.062255859375	160.0
160.54859924316406	164.0
160.7655487060547	200.0
161.05105590820312	140.0
161.5133819580078	192.0
161.9639434814453	228.0
162.50390625	172.0
162.53688049316406	152.0
163.09814453125	164.0
163.5559844970703	184.0
163.81060791015625	232.0
164.06289672851562	164.0
165.0407257080078	156.0
165.06887817382812	1184.0
165.97787475585938	144.0
166.07345581054688	552.0
167.08778381347656	116.0
168.09439086914062	268.0
168.96041870117188	160.0
169.06649780273438	472.0
169.09768676757812	236.0
169.1542510986328	188.0
169.19332885742188	164.0
170.73980712890625	144.0
171.0254364013672	480.0
171.34559631347656	120.0
171.80252075195312	176.0
172.72463989257812	164.0
172.9732208251953	140.0
173.04559326171875	248.0
174.16102600097656	140.0
174.8051300048828	152.0
175.09471130371094	200.0
175.56381225585938	156.0
175.6869659423828	108.0
176.0575408935547	160.0
176.1470947265625	148.0
176.8438262939453	96.0
176.9616241455078	180.0
177.16819763183594	220.0
177.39344787597656	180.0
178.0762939453125	1856.0
178.61390686035156	124.0
178.8677215576172	180.0
179.08404541015625	724.0
179.27642822265625	200.0
179.57379150390625	140.0
179.81658935546875	144.0
180.08522033691406	168.0
180.23583984375	152.0
180.6412811279297	196.0
180.83218383789062	148.0
181.06243896484375	308.0
181.10108947753906	156.0
181.228515625	140.0
181.5877227783203	168.0
181.8345489501953	252.0
182.089599609375	140.0
182.42547607421875	276.0
182.85067749023438	192.0
183.0654754638672	468.0
183.10621643066406	140.0
183.51580810546875	140.0
184.0351104736328	2412.0
184.06112670898438	428.0
184.11215209960938	372.0
184.1742706298828	160.0
184.2931365966797	176.0
184.665283203125	108.0
184.9962921142578	184.0
185.04249572753906	2936.0
185.12295532226562	156.0
185.72792053222656	184.0
186.0421142578125	620.0
186.12120056152344	140.0
186.31968688964844	272.0
187.03578186035156	132.0
187.06753540039062	200.0
187.28536987304688	148.0
187.4993438720703	120.0
188.22897338867188	172.0
188.32455444335938	148.0
188.58958435058594	276.0
188.61874389648438	156.0
189.00253295898438	140.0
189.07229614257812	392.0
190.07542419433594	1084.0
190.89797973632812	232.0
190.93788146972656	180.0
191.08506774902344	1044.0
191.20057678222656	172.0
191.5888214111328	232.0
192.09178161621094	452.0
192.66195678710938	156.0
192.6951141357422	148.0
193.04061889648438	168.0
193.1036376953125	392.0
193.73533630371094	216.0
193.85169982910156	144.0
194.0745849609375	308.0
194.0981903076172	152.0
194.39244079589844	184.0
194.43960571289062	156.0
194.5811767578125	156.0
194.75360107421875	192.0
195.0447540283203	156.0
195.115966796875	164.0
195.6932830810547	172.0
196.03121948242188	160.0
196.06875610351562	196.0
196.11123657226562	600.0
196.38436889648438	148.0
196.4931640625	140.0
196.7052459716797	172.0
197.01348876953125	132.0
197.04234313964844	4140.0
197.078125	308.0
197.1196746826172	496.0
197.50999450683594	216.0
197.73663330078125	176.0
197.99403381347656	140.0
198.0457763671875	944.0
198.13099670410156	512.0
198.3155059814453	228.0
198.692138671875	160.0
199.0550994873047	620.0
199.08790588378906	164.0
199.1309814453125	180.0
199.5228729248047	160.0
200.02621459960938	148.0
200.06443786621094	464.0
200.15928649902344	144.0
201.0283203125	156.0
201.1912078857422	144.0
201.64031982421875	160.0
202.04742431640625	152.0
202.0763702392578	660.0
202.31634521484375	176.0
203.08595275878906	1420.0
203.89341735839844	176.0
204.0914764404297	1240.0
204.9462890625	148.0
205.06353759765625	248.0
205.10182189941406	3904.0
205.33682250976562	160.0
205.87049865722656	192.0
206.0739288330078	200.0
206.10829162597656	1860.0
207.04872131347656	152.0
207.0830841064453	196.0
207.111328125	416.0
207.2561492919922	116.0
207.42979431152344	144.0
208.03538513183594	544.0
208.11831665039062	180.0
208.4543914794922	140.0
208.83306884765625	188.0
208.88851928710938	152.0
209.04251098632812	896.0
209.11871337890625	208.0
209.2971954345703	140.0
209.55929565429688	140.0
209.78697204589844	176.0
210.0147705078125	248.0
210.0717010498047	12324.0
210.11314392089844	152.0
210.77401733398438	184.0
211.06378173828125	1376.0
211.158203125	196.0
211.61570739746094	160.0
211.83290100097656	164.0
212.0610809326172	316.0
212.08590698242188	104.0
212.10818481445312	132.0
212.50547790527344	144.0
213.03805541992188	13720.0
213.0872039794922	168.0
213.50181579589844	152.0
213.650146484375	160.0
213.83346557617188	208.0
214.04092407226562	1904.0
214.08091735839844	164.0
214.11727905273438	148.0
214.29937744140625	140.0
214.38388061523438	212.0
214.6812286376953	200.0
214.91458129882812	296.0
215.0373992919922	452.0
215.08651733398438	1392.0
216.09332275390625	1716.0
216.48426818847656	244.0
216.58384704589844	172.0
216.69810485839844	140.0
217.09852600097656	688.0
217.1993865966797	188.0
217.24925231933594	168.0
217.75704956054688	156.0
218.06971740722656	276.0
218.10757446289062	352.0
219.0854949951172	428.0
219.15435791015625	180.0
219.5522918701172	184.0
220.088134765625	224.0
220.1138458251953	340.0
220.18385314941406	144.0
221.04220581054688	2912.0
221.10426330566406	320.0
221.6037139892578	220.0
222.0508575439453	1404.0
222.087646484375	260.0
222.13436889648438	208.0
222.18479919433594	216.0
222.2271728515625	156.0
222.3361358642578	176.0
222.78448486328125	164.0
223.05691528320312	2340.0
223.1395721435547	156.0
223.28680419921875	200.0
223.78077697753906	180.0
224.03587341308594	156.0
224.06723022460938	1728.0
224.61817932128906	168.0
224.8688201904297	144.0
225.03936767578125	396.0
225.07228088378906	404.0
226.04039001464844	308.0
226.07986450195312	140.0
226.1223907470703	168.0
226.20188903808594	140.0
226.69007873535156	176.0
226.9088897705078	152.0
226.94186401367188	184.0
227.05319213867188	288.0
227.0980682373047	312.0
228.00750732421875	216.0
228.1036834716797	336.0
229.00033569335938	152.0
230.0919189453125	148.0
231.08419799804688	224.0
232.03201293945312	152.0
232.09080505371094	344.0
232.12213134765625	152.0
233.04217529296875	144.0
233.09536743164062	552.0
233.72898864746094	188.0
234.05181884765625	3952.0
234.10556030273438	228.0
234.35012817382812	156.0
234.38365173339844	160.0
235.0561065673828	3688.0
235.59182739257812	140.0
235.99525451660156	140.0
236.06236267089844	584.0
236.17262268066406	176.0
236.24908447265625	144.0
236.36288452148438	184.0
236.50611877441406	180.0
236.6408233642578	148.0
236.9317626953125	216.0
237.0354461669922	744.0
237.0742645263672	656.0
237.14013671875	160.0
237.24891662597656	148.0
237.49798583984375	148.0
237.80282592773438	120.0
237.97451782226562	144.0
238.04367065429688	588.0
238.085693359375	472.0
238.22328186035156	152.0
239.0517578125	1012.0
239.09017944335938	1368.0
239.56759643554688	176.0
240.0579376220703	640.0
240.0930633544922	576.0
240.31983947753906	164.0
241.07615661621094	232.0
242.19322204589844	140.0
242.5929412841797	164.0
242.95266723632812	232.0
243.3033447265625	244.0
244.1065216064453	256.0
244.79266357421875	164.0
245.09979248046875	308.0
246.05198669433594	136.0
246.086669921875	168.0
246.45521545410156	144.0
246.96478271484375	144.0
247.0583038330078	512.0
247.3402557373047	160.0
247.9729461669922	160.0
248.0637969970703	356.0
248.11886596679688	164.0
248.65664672851562	160.0
249.03933715820312	140.0
249.07318115234375	2932.0
249.14649963378906	144.0
249.19676208496094	148.0
250.04454040527344	3048.0
250.07815551757812	624.0
250.1143798828125	296.0
250.90570068359375	224.0
250.97860717773438	164.0
251.05557250976562	616.0
251.0843505859375	592.0
251.13589477539062	300.0
252.0543670654297	364.0
252.10374450683594	284.0
252.1272430419922	144.0
252.37696838378906	208.0
252.82801818847656	136.0
252.97633361816406	124.0
253.07080078125	848.0
253.11460876464844	36108.0
253.17953491210938	236.0
253.25607299804688	108.0
253.33261108398438	96.0
253.63079833984375	136.0
253.75039672851562	108.0
253.91848754882812	156.0
254.01002502441406	244.0
254.0709686279297	152.0
254.11700439453125	5696.0
254.15283203125	292.0
254.31353759765625	116.0
254.37811279296875	144.0
254.55064392089844	212.0
255.12477111816406	1044.0
255.25794982910156	184.0
255.76412963867188	248.0
255.86195373535156	160.0
256.0738525390625	192.0
256.119873046875	152.0
257.12286376953125	172.0
258.12335205078125	372.0
258.8587341308594	160.0
259.058349609375	192.0
259.1301574707031	260.0
259.2367248535156	164.0
259.4450378417969	196.0
260.0689392089844	124.0
260.1422424316406	108.0
260.3338317871094	148.0
261.07257080078125	636.0
261.4396667480469	152.0
261.5265808105469	156.0
262.0745849609375	364.0
262.1221618652344	132.0
262.5523986816406	148.0
263.04449462890625	164.0
263.074462890625	248.0
263.1254577636719	164.0
263.170654296875	212.0
263.1915588378906	156.0
263.3611755371094	168.0
263.5291748046875	160.0
263.6034851074219	168.0
264.05877685546875	208.0
264.0926513671875	124.0
265.06732177734375	916.0
266.07666015625	232.0
267.0862121582031	612.0
267.5898132324219	188.0
267.658203125	160.0
268.0879821777344	172.0
268.12335205078125	172.0
268.1924743652344	208.0
268.3196105957031	180.0
268.62939453125	152.0
269.09722900390625	172.0
269.6971740722656	144.0
270.39410400390625	132.0
271.1339416503906	272.0
273.1071472167969	152.0
273.739013671875	160.0
274.06842041015625	144.0
274.1837463378906	140.0
275.0181579589844	148.0
275.09130859375	148.0
275.8703918457031	160.0
276.0818176269531	120.0
276.1415100097656	160.0
276.9193115234375	160.0
277.08917236328125	316.0
277.8607177734375	160.0
278.0895690917969	152.0
278.1132507324219	156.0
278.9964904785156	156.0
279.0802917480469	136.0
279.1298828125	4908.0
279.5365905761719	196.0
279.6451416015625	148.0
279.6983947753906	204.0
280.0975036621094	188.0
280.131591796875	968.0
280.84173583984375	108.0
281.13958740234375	256.0
281.892333984375	96.0
281.9471740722656	128.0
282.09674072265625	148.0
282.1268615722656	392.0
283.5494079589844	172.0
283.9047546386719	160.0
284.8478698730469	144.0
286.77252197265625	180.0
287.93988037109375	148.0
288.35205078125	164.0
288.9742431640625	176.0
289.0926818847656	168.0
289.52935791015625	248.0
290.0986022949219	260.0
291.3236389160156	184.0
292.115966796875	1624.0
292.163330078125	152.0
293.1157531738281	752.0
293.3536376953125	224.0
293.79852294921875	280.0
294.1161804199219	144.0
294.6930236816406	228.0
295.10430908203125	140.0
295.9364318847656	176.0
296.1042175292969	116.0
297.0826416015625	140.0
297.8309631347656	204.0
298.2157897949219	188.0
298.4323425292969	168.0
298.752197265625	144.0
299.34417724609375	148.0
299.6266174316406	340.0
300.3194885253906	148.0
300.6058349609375	240.0
300.84051513671875	188.0
302.2056579589844	160.0
303.8235778808594	168.0
303.88604736328125	184.0
304.6428527832031	196.0
305.0737609863281	176.0
305.230224609375	152.0
305.6093444824219	140.0
305.8912353515625	164.0
306.2273254394531	176.0
306.7917785644531	188.0
307.4910888671875	200.0
307.6349792480469	176.0
308.06298828125	112.0
308.1120910644531	280.0
308.1974182128906	164.0
308.2578125	240.0
308.2969970703125	132.0
308.3697814941406	128.0
308.5036315917969	144.0
308.61480712890625	128.0
308.67144775390625	104.0
308.7744445800781	108.0
308.8422546386719	160.0
308.9421691894531	180.0
309.0111389160156	172.0
309.07171630859375	168.0
309.10711669921875	188.0
309.1817932128906	132.0
309.24139404296875	164.0
309.32080078125	204.0
309.3914794921875	200.0
309.4676513671875	236.0
309.61669921875	180.0
309.6636047363281	164.0
309.7241516113281	304.0
309.774169921875	96.0
309.8179626464844	208.0
309.85137939453125	144.0
309.8837585449219	252.0
309.9705505371094	132.0
310.016357421875	424.0
310.07244873046875	444.0
310.12890625	223916.0
310.1729736328125	38364.0
310.2309875488281	192.0
310.3171081542969	256.0
310.35675048828125	292.0
310.4417724609375	308.0
310.4856262207031	176.0
310.51153564453125	268.0
310.5654602050781	132.0
310.5802307128906	152.0
310.631103515625	240.0
310.7047119140625	3952.0
310.7498779296875	412.0
310.83447265625	168.0
310.8781433105469	208.0
310.9762878417969	208.0
311.0131530761719	168.0
311.04638671875	128.0
311.1306457519531	64936.0
311.17498779296875	6852.0
311.2269592285156	400.0
311.2811584472656	168.0
311.4815673828125	216.0
311.50946044921875	116.0
311.58062744140625	136.0
311.6332702636719	164.0
311.7155456542969	144.0
311.7575378417969	256.0
311.78411865234375	184.0
311.8174133300781	192.0
311.8796691894531	140.0
311.9300842285156	304.0
311.9630432128906	248.0
311.9944152832031	132.0
312.0207824707031	160.0
312.0440673828125	240.0
312.08111572265625	336.0
312.1259765625	14628.0
312.1773681640625	1216.0
312.2400207519531	280.0
312.4267272949219	320.0
312.51727294921875	288.0
312.7167663574219	236.0
312.7770080566406	240.0
312.84637451171875	144.0
312.8772277832031	148.0
312.93994140625	100.0
312.98516845703125	248.0
313.02020263671875	124.0
313.08770751953125	224.0
313.12646484375	1056.0
313.2036437988281	4548.0
313.2589416503906	220.0
313.2967834472656	400.0
313.3241271972656	192.0
313.4204406738281	204.0
313.5350341796875	148.0
313.83807373046875	112.0
314.15533447265625	136.0
314.1972351074219	112.0
314.25054931640625	276.0
314.3619384765625	124.0
314.46575927734375	116.0
315.16680908203125	152.0
320.51129150390625	192.0
322.6967468261719	112.0
323.29302978515625	160.0
325.8629150390625	136.0
351.1443786621094	152.0
406.2894287109375	208.0
459.2091979980469	176.0
487.8369140625	116.0
540.0681762695312	160.0
587.57666015625	144.0
741.552978515625	180.0
1067.056640625	144.0
1161.03466796875	284.0
1205.264404296875	160.0
1217.4144287109375	140.0
1242.739013671875	164.0
1362.87060546875	140.0
1371.9525146484375	152.0
1404.111083984375	192.0
1470.934814453125	164.0
1499.406005859375	224.0
1515.6650390625	160.0
1520.7056884765625	188.0
1556.0521240234375	176.0
1590.7884521484375	144.0
1609.02685546875	208.0
1623.1085205078125	144.0
1626.3817138671875	172.0
1634.748046875	180.0
1648.8365478515625	148.0
1655.114013671875	236.0
1660.1461181640625	164.0
1672.79638671875	176.0
1710.4510498046875	176.0
1724.7869873046875	224.0
1744.86474609375	156.0
1747.3431396484375	148.0
1755.5225830078125	172.0
1756.9896240234375	172.0
1782.5191650390625	180.0
1788.6080322265625	224.0
1792.456787109375	296.0
1794.547119140625	144.0
1802.7845458984375	176.0
1834.503662109375	168.0
1835.0919189453125	192.0
1863.3011474609375	156.0
1870.2493896484375	192.0
1875.0294189453125	224.0
1876.218994140625	152.0
1888.091552734375	160.0
1893.3619384765625	196.0
1894.4273681640625	148.0
1907.139404296875	192.0
1910.9222412109375	240.0
1913.4287109375	156.0
1938.3916015625	176.0
1947.94580078125	144.0
1950.353515625	180.0
2000.0640869140625	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079089
PEPMASS=294.175415
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_G2_H11_BD3_01_15725.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ANASTROZOLE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N
INCHI=InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3
INCHIAUX=YBBLVLTVTVSKRW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079089
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079089
SCANS=1240
45.00726318359375	168.0
45.365962982177734	172.0
45.505489349365234	196.0
45.60624313354492	208.0
46.592716217041016	196.0
46.82259750366211	224.0
46.8770866394043	192.0
46.94661331176758	224.0
47.11859893798828	152.0
47.45939636230469	148.0
47.92948532104492	172.0
48.079795837402344	164.0
49.10368347167969	220.0
49.520179748535156	196.0
50.60450744628906	148.0
51.03175735473633	184.0
51.212303161621094	140.0
51.414756774902344	216.0
52.23863220214844	176.0
52.74043655395508	148.0
53.72351837158203	152.0
54.35997772216797	164.0
56.15306091308594	152.0
56.653804779052734	224.0
56.961326599121094	156.0
57.09810256958008	232.0
57.90705871582031	216.0
58.41098403930664	180.0
58.49924087524414	172.0
59.548187255859375	140.0
59.6511344909668	236.0
59.88655471801758	208.0
60.193450927734375	192.0
60.85151290893555	148.0
61.209129333496094	148.0
61.24650573730469	148.0
62.40770721435547	152.0
64.2177963256836	168.0
65.12692260742188	164.0
65.37129211425781	216.0
65.97128295898438	140.0
66.03596496582031	200.0
67.21049499511719	240.0
68.67384338378906	164.0
68.89173126220703	164.0
69.63545989990234	148.0
70.54691314697266	180.0
71.04931640625	184.0
71.24405670166016	148.0
72.5943374633789	176.0
72.80307006835938	176.0
73.38160705566406	224.0
74.83280944824219	144.0
75.13613891601562	220.0
75.48676300048828	208.0
76.6184310913086	164.0
77.14546203613281	316.0
77.41315460205078	172.0
77.62510681152344	248.0
78.16094970703125	144.0
78.31586456298828	196.0
79.62467956542969	200.0
79.64776611328125	156.0
80.25106048583984	160.0
80.71708679199219	164.0
81.47344207763672	184.0
81.89616394042969	164.0
82.45185852050781	156.0
82.58745574951172	148.0
82.6543960571289	172.0
83.0148696899414	180.0
83.11282348632812	156.0
84.35286712646484	176.0
85.43318176269531	208.0
85.64118194580078	204.0
85.7130355834961	196.0
86.59236907958984	160.0
87.68294525146484	184.0
88.199951171875	172.0
88.71659851074219	180.0
90.0620346069336	192.0
90.20564270019531	188.0
90.26614379882812	176.0
90.341796875	208.0
91.23880767822266	168.0
91.5051498413086	196.0
91.53752136230469	152.0
92.87149047851562	156.0
94.29046630859375	196.0
94.46835327148438	140.0
94.56316375732422	160.0
94.75099182128906	196.0
95.08451080322266	204.0
95.37779235839844	228.0
95.55864715576172	152.0
95.79810333251953	148.0
95.9715576171875	148.0
97.18031311035156	176.0
97.74620056152344	292.0
97.9509506225586	176.0
98.17958068847656	192.0
98.9026870727539	196.0
98.99970245361328	172.0
99.82125091552734	180.0
100.30902862548828	176.0
100.3668441772461	180.0
101.85380554199219	176.0
102.07085418701172	228.0
102.31513977050781	124.0
103.16765594482422	140.0
103.56426239013672	208.0
103.61288452148438	144.0
103.65865325927734	136.0
103.76285552978516	168.0
104.05094146728516	192.0
104.31097412109375	196.0
104.3617935180664	148.0
104.91259765625	192.0
104.95838165283203	240.0
105.03384399414062	164.0
106.46037292480469	176.0
106.76040649414062	152.0
107.36174011230469	196.0
107.63825988769531	140.0
108.0061264038086	204.0
108.56324768066406	188.0
109.09062194824219	196.0
109.39016723632812	160.0
109.5630111694336	156.0
109.64010620117188	140.0
110.76417541503906	152.0
110.9632568359375	140.0
111.23597717285156	152.0
111.47727966308594	184.0
111.82240295410156	144.0
111.85608673095703	164.0
111.88976287841797	140.0
112.37661743164062	184.0
112.5264663696289	160.0
112.85395050048828	144.0
113.4658203125	176.0
113.75008392333984	140.0
113.82864379882812	220.0
113.84562683105469	148.0
115.053955078125	372.0
115.11267852783203	156.0
115.26861572265625	200.0
115.29853820800781	140.0
116.0177230834961	148.0
116.0662841796875	168.0
116.4447250366211	164.0
116.6123046875	176.0
116.94243621826172	132.0
117.06839752197266	176.0
117.94649505615234	184.0
118.49398803710938	164.0
119.11225128173828	140.0
119.67333221435547	180.0
120.69755554199219	204.0
121.13655853271484	164.0
121.23734283447266	164.0
121.65431213378906	188.0
122.20350646972656	140.0
122.84239196777344	140.0
124.49129486083984	180.0
124.70679473876953	144.0
124.83573913574219	212.0
125.04708862304688	180.0
126.62779235839844	152.0
126.8428955078125	164.0
127.00209045410156	144.0
127.05703735351562	172.0
127.10304260253906	160.0
127.79508972167969	140.0
128.06100463867188	568.0
128.6785888671875	212.0
128.85023498535156	172.0
128.93609619140625	180.0
129.02651977539062	160.0
129.07041931152344	808.0
129.12213134765625	180.0
130.0774383544922	1988.0
130.3956298828125	140.0
130.5550537109375	160.0
130.87106323242188	144.0
131.0850067138672	1024.0
131.4317626953125	164.0
132.055419921875	192.0
132.08731079101562	328.0
132.27508544921875	168.0
132.8387908935547	184.0
133.08204650878906	176.0
133.5745849609375	164.0
135.21896362304688	188.0
136.54733276367188	152.0
137.54559326171875	172.0
138.34738159179688	176.0
140.00271606445312	148.0
140.0470428466797	392.0
141.04193115234375	168.0
141.06979370117188	532.0
142.0665740966797	2136.0
143.0784149169922	444.0
143.33335876464844	300.0
144.0882568359375	224.0
144.24981689453125	248.0
144.27850341796875	152.0
144.6373291015625	184.0
144.9606475830078	160.0
145.09967041015625	172.0
145.5747528076172	140.0
145.63958740234375	140.0
145.74661254882812	160.0
147.21224975585938	200.0
147.34027099609375	164.0
148.68170166015625	232.0
148.8880615234375	188.0
149.111572265625	140.0
149.3255157470703	176.0
149.5785675048828	196.0
150.15113830566406	176.0
150.3414306640625	168.0
150.75657653808594	180.0
151.48324584960938	200.0
152.0447235107422	196.0
152.06680297851562	176.0
152.70167541503906	188.0
153.05630493164062	284.0
154.06613159179688	296.0
154.7909393310547	176.0
155.0786590576172	316.0
155.52723693847656	224.0
155.76809692382812	164.0
156.0380859375	168.0
156.08175659179688	536.0
157.08897399902344	4116.0
157.15476989746094	212.0
157.53175354003906	160.0
158.09396362304688	828.0
158.53504943847656	180.0
158.67291259765625	176.0
158.96267700195312	164.0
159.10032653808594	412.0
159.95408630371094	176.0
159.9893341064453	152.0
160.1288299560547	164.0
160.43292236328125	148.0
160.75555419921875	148.0
161.06861877441406	196.0
161.3314208984375	176.0
161.35670471191406	176.0
161.52867126464844	184.0
161.57420349121094	148.0
161.66781616210938	200.0
162.4938507080078	172.0
163.52809143066406	208.0
163.85101318359375	220.0
163.96359252929688	200.0
165.06878662109375	116.0
165.32989501953125	192.0
166.06446838378906	132.0
166.0797119140625	292.0
166.26364135742188	156.0
167.08023071289062	272.0
167.2856903076172	176.0
167.7081298828125	156.0
167.9530792236328	164.0
168.0796356201172	1044.0
169.07652282714844	624.0
169.54052734375	140.0
169.7064208984375	188.0
169.94503784179688	172.0
170.09649658203125	784.0
171.11746215820312	1312.0
172.08970642089844	180.0
172.1116943359375	220.0
172.14976501464844	176.0
172.31431579589844	140.0
172.81369018554688	212.0
172.8450927734375	156.0
173.08590698242188	172.0
173.23780822753906	152.0
174.7789306640625	188.0
174.96316528320312	148.0
175.02108764648438	148.0
176.15513610839844	192.0
176.32423400878906	148.0
176.9326171875	160.0
178.06358337402344	108.0
178.6150360107422	140.0
178.6629180908203	180.0
178.96632385253906	196.0
179.7019500732422	316.0
180.0863494873047	184.0
180.4908905029297	148.0
180.8537139892578	236.0
181.3733367919922	220.0
182.09475708007812	668.0
182.382568359375	168.0
182.50355529785156	176.0
182.65953063964844	140.0
182.92593383789062	184.0
183.0041046142578	96.0
183.10574340820312	924.0
183.21575927734375	172.0
184.105224609375	268.0
185.08908081054688	192.0
185.12637329101562	140.0
185.20762634277344	152.0
185.42132568359375	196.0
187.19290161132812	196.0
188.0707550048828	160.0
188.7947540283203	144.0
189.03822326660156	164.0
189.07920837402344	832.0
189.12579345703125	176.0
189.14768981933594	188.0
190.64793395996094	152.0
190.7633819580078	172.0
190.84310913085938	144.0
191.18695068359375	224.0
191.58067321777344	144.0
192.47427368164062	148.0
192.96055603027344	152.0
192.9937286376953	152.0
193.0711669921875	148.0
193.10711669921875	156.0
193.899169921875	136.0
193.93772888183594	164.0
194.06442260742188	188.0
194.0845947265625	176.0
194.44805908203125	176.0
195.09197998046875	1740.0
195.173095703125	188.0
195.93849182128906	152.0
196.09576416015625	252.0
196.48492431640625	152.0
196.63002014160156	176.0
197.12783813476562	196.0
198.12857055664062	3232.0
198.17919921875	160.0
198.30032348632812	180.0
199.1307373046875	520.0
200.13279724121094	160.0
200.632568359375	120.0
201.18850708007812	144.0
201.7506866455078	148.0
201.8524627685547	184.0
202.49769592285156	144.0
202.64651489257812	172.0
203.07872009277344	208.0
203.91371154785156	124.0
203.93617248535156	188.0
205.19723510742188	160.0
206.33636474609375	276.0
206.5851593017578	140.0
206.87705993652344	188.0
207.08322143554688	184.0
207.70880126953125	124.0
207.81707763671875	160.0
208.33958435058594	160.0
208.48037719726562	180.0
209.10752868652344	3772.0
209.17640686035156	180.0
209.5334930419922	156.0
209.66604614257812	144.0
210.11585998535156	17776.0
211.08126831054688	160.0
211.1197052001953	1760.0
211.16656494140625	172.0
212.1199188232422	324.0
212.871337890625	176.0
212.92942810058594	164.0
213.93838500976562	160.0
214.07814025878906	208.0
214.2121124267578	164.0
215.2825164794922	260.0
217.08807373046875	224.0
217.15846252441406	164.0
217.22592163085938	160.0
217.31100463867188	160.0
217.86587524414062	204.0
217.9275665283203	148.0
218.71275329589844	184.0
220.2024383544922	144.0
220.4084930419922	192.0
220.4823760986328	148.0
220.5030517578125	200.0
222.59156799316406	148.0
222.7400665283203	168.0
222.90345764160156	164.0
223.6380157470703	184.0
223.96141052246094	176.0
224.0340576171875	212.0
224.206298828125	156.0
224.27767944335938	148.0
224.40171813964844	228.0
224.5001983642578	132.0
224.65113830566406	220.0
224.7544708251953	244.0
224.82496643066406	156.0
224.85751342773438	176.0
224.88624572753906	136.0
224.912353515625	196.0
225.0030517578125	156.0
225.03553771972656	304.0
225.08865356445312	176.0
225.14016723632812	245828.0
225.3365936279297	184.0
225.37840270996094	284.0
225.4146270751953	116.0
225.43861389160156	168.0
225.4691925048828	168.0
225.51194763183594	248.0
225.5438232421875	200.0
225.57794189453125	96.0
225.6303253173828	424.0
225.70034790039062	264.0
225.77804565429688	136.0
225.82174682617188	292.0
225.89913940429688	104.0
225.9433135986328	256.0
225.99618530273438	160.0
226.04893493652344	188.0
226.1427001953125	31904.0
226.25094604492188	188.0
226.34124755859375	100.0
226.5856170654297	136.0
226.6792755126953	104.0
226.7967987060547	200.0
226.83474731445312	196.0
227.08595275878906	184.0
227.1461944580078	3196.0
227.28416442871094	100.0
227.3944854736328	100.0
227.4716033935547	328.0
227.50245666503906	160.0
227.59263610839844	132.0
227.62306213378906	184.0
227.68544006347656	104.0
227.7171630859375	260.0
227.7611541748047	96.0
227.79632568359375	188.0
227.87265014648438	192.0
227.90887451171875	284.0
227.9860382080078	160.0
228.1472625732422	124.0
228.23451232910156	128.0
228.89205932617188	140.0
229.8014373779297	96.0
229.97433471679688	168.0
230.36082458496094	144.0
231.28309631347656	256.0
231.48291015625	208.0
231.54649353027344	236.0
232.03245544433594	180.0
235.63475036621094	176.0
236.76039123535156	188.0
237.56649780273438	156.0
237.74301147460938	128.0
238.62294006347656	200.0
240.91275024414062	200.0
241.05177307128906	152.0
241.2093963623047	192.0
243.15435791015625	172.0
243.81600952148438	152.0
248.39639282226562	144.0
249.0178680419922	172.0
251.14552307128906	160.0
253.13653564453125	188.0
254.6428985595703	140.0
254.72866821289062	192.0
257.4198913574219	152.0
259.1151123046875	152.0
261.1539611816406	172.0
262.02264404296875	176.0
262.06451416015625	168.0
262.2643127441406	160.0
262.43194580078125	176.0
266.16424560546875	1032.0
266.1983337402344	212.0
266.8091735839844	156.0
267.1018371582031	152.0
267.1598205566406	984.0
267.36212158203125	172.0
268.15960693359375	172.0
268.76605224609375	120.0
269.4947204589844	148.0
269.6025390625	156.0
271.87908935546875	124.0
274.1048278808594	164.0
274.916015625	140.0
276.8631591796875	168.0
278.08984375	156.0
278.345458984375	208.0
278.8072204589844	176.0
279.5155029296875	148.0
282.4848327636719	164.0
283.5433349609375	148.0
283.5864562988281	220.0
284.16656494140625	152.0
285.0025939941406	156.0
285.3117980957031	140.0
287.1064758300781	180.0
288.3589782714844	156.0
289.24176025390625	148.0
289.3873291015625	140.0
289.87847900390625	208.0
291.9049987792969	144.0
292.10906982421875	188.0
292.5752868652344	188.0
292.8953857421875	264.0
292.9324035644531	188.0
292.9640197753906	108.0
293.0887451171875	116.0
293.1612548828125	204.0
293.206298828125	124.0
293.24066162109375	164.0
293.324462890625	104.0
293.4429626464844	104.0
293.4933776855469	204.0
293.5680847167969	204.0
293.6111145019531	144.0
293.6827392578125	188.0
293.7655944824219	96.0
293.8008728027344	148.0
293.83831787109375	144.0
293.8606872558594	96.0
293.92120361328125	104.0
293.95086669921875	260.0
294.00494384765625	160.0
294.0531311035156	128.0
294.08709716796875	192.0
294.17413330078125	162288.0
294.3065185546875	112.0
294.3467102050781	228.0
294.52386474609375	200.0
294.6169128417969	136.0
294.67022705078125	144.0
294.7356872558594	1708.0
294.7830505371094	284.0
294.827880859375	268.0
294.8890380859375	148.0
294.99822998046875	164.0
295.09783935546875	156.0
295.1756286621094	32340.0
295.42901611328125	96.0
295.5984802246094	148.0
295.68212890625	160.0
296.0219421386719	132.0
296.06744384765625	116.0
296.107666015625	112.0
296.1778564453125	3364.0
296.2295837402344	96.0
296.5964050292969	140.0
296.87933349609375	244.0
297.013427734375	188.0
297.1349792480469	188.0
297.1718444824219	112.0
297.194091796875	280.0
297.253662109375	440.0
297.2922668457031	100.0
297.3731994628906	128.0
298.1706848144531	96.0
298.2304992675781	156.0
298.41241455078125	216.0
298.93658447265625	96.0
299.0586242675781	140.0
309.77801513671875	144.0
312.18359375	568.0
507.8492736816406	140.0
688.0310668945312	112.0
735.2420043945312	140.0
777.6224975585938	140.0
1063.0302734375	180.0
1257.1929931640625	204.0
1333.6324462890625	144.0
1407.4998779296875	176.0
1538.96142578125	180.0
1547.1470947265625	172.0
1685.7327880859375	268.0
1699.2347412109375	156.0
1712.6917724609375	212.0
1742.613525390625	176.0
1745.1734619140625	192.0
1820.3387451171875	212.0
1820.9078369140625	152.0
1824.2513427734375	176.0
1840.0926513671875	164.0
1842.5523681640625	176.0
1849.5987548828125	148.0
1872.6182861328125	180.0
1873.9620361328125	160.0
1898.8837890625	160.0
1912.2547607421875	228.0
1937.2537841796875	160.0
1938.12109375	176.0
1939.567138671875	204.0
1961.6392822265625	148.0
1997.8585205078125	228.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079090
PEPMASS=383.211304
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_G2_H11_BD3_01_15725.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=HTMT [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NCCc2c[nH]cn2
INCHI=InChI=1S/C19H25F3N4O/c1-14(24-11-10-17-12-23-13-25-17)4-2-3-5-18(27)26-16-8-6-15(7-9-16)19(20,21)22/h6-9,12-14,24H,2-5,10-11H2,1H3,(H,23,25)(H,26,27)
INCHIAUX=PMKJGGBYYNEYPA-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079090
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079090
SCANS=1065
46.437896728515625	156.0
47.289451599121094	140.0
47.362022399902344	180.0
48.1459846496582	160.0
49.677093505859375	188.0
51.00305938720703	208.0
54.730316162109375	260.0
56.238014221191406	148.0
59.167808532714844	140.0
64.80277252197266	216.0
67.29363250732422	208.0
75.25856018066406	160.0
75.60773468017578	140.0
79.02539825439453	156.0
80.6883544921875	156.0
82.65607452392578	172.0
83.14898681640625	140.0
89.90330505371094	156.0
94.2729263305664	144.0
95.06088256835938	2652.0
96.06396484375	188.0
98.8490982055664	144.0
110.07685089111328	364.0
110.09263610839844	176.0
111.07842254638672	208.0
112.08763122558594	1456.0
112.11427307128906	1104.0
113.08972930908203	244.0
116.20841217041016	196.0
121.9218521118164	168.0
123.0540542602539	140.0
128.10546875	168.0
129.0127410888672	212.0
130.48179626464844	164.0
131.1168670654297	164.0
131.17156982421875	188.0
135.06605529785156	180.0
135.51979064941406	152.0
140.02943420410156	176.0
140.10711669921875	936.0
141.11119079589844	148.0
142.04379272460938	172.0
142.68812561035156	192.0
145.02642822265625	396.0
146.03414916992188	172.0
149.89981079101562	160.0
149.96804809570312	144.0
155.4326934814453	200.0
158.69773864746094	164.0
160.0380859375	1608.0
160.68212890625	212.0
161.0397186279297	460.0
162.05450439453125	1840.0
162.0904541015625	160.0
162.2881622314453	176.0
163.05665588378906	224.0
165.1428680419922	188.0
166.55258178710938	232.0
166.71957397460938	148.0
168.02809143066406	264.0
173.0279541015625	148.0
174.05380249023438	172.0
174.6155548095703	160.0
174.99447631835938	192.0
179.33900451660156	176.0
179.73902893066406	184.0
182.1028594970703	236.0
184.0849609375	208.0
185.9637908935547	140.0
187.5004425048828	156.0
188.03268432617188	8012.0
188.49649047851562	180.0
188.94712829589844	108.0
189.0350799560547	920.0
190.0332489013672	168.0
196.04684448242188	160.0
196.0858612060547	164.0
198.05128479003906	160.0
201.713623046875	152.0
202.0869140625	156.0
204.0647735595703	148.0
204.1433868408203	280.0
206.04579162597656	136.0
206.51046752929688	224.0
207.045654296875	140.0
213.10337829589844	152.0
214.63145446777344	156.0
215.69705200195312	200.0
216.0618133544922	848.0
216.10354614257812	248.0
216.79751586914062	152.0
217.06451416015625	240.0
217.6658172607422	204.0
220.15115356445312	156.0
222.15953063964844	536.0
228.10401916503906	212.0
230.0787811279297	940.0
230.1191864013672	896.0
231.0873565673828	152.0
231.12535095214844	164.0
232.13404846191406	144.0
232.47378540039062	156.0
233.80789184570312	180.0
235.55836486816406	172.0
237.99578857421875	160.0
244.12960815429688	152.0
250.70059204101562	168.0
254.11309814453125	364.0
260.93121337890625	168.0
261.56494140625	156.0
266.1070251464844	148.0
268.2737121582031	144.0
271.1390380859375	152.0
271.6615905761719	156.0
271.8096008300781	108.0
271.90155029296875	152.0
272.12591552734375	7432.0
272.21539306640625	168.0
272.2425231933594	200.0
273.1286926269531	908.0
273.412841796875	148.0
274.1358337402344	160.0
275.4570617675781	144.0
275.96600341796875	148.0
289.1589660644531	180.0
294.87725830078125	140.0
301.15185546875	628.0
302.1561279296875	276.0
307.93145751953125	148.0
311.925048828125	160.0
313.25518798828125	156.0
320.4076843261719	148.0
321.16339111328125	148.0
323.1913757324219	188.0
324.19873046875	156.0
324.826171875	200.0
330.32672119140625	144.0
333.50811767578125	228.0
334.0848693847656	176.0
334.17218017578125	164.0
334.24859619140625	268.0
335.18682861328125	172.0
335.2244873046875	140.0
336.19085693359375	228.0
339.1604919433594	140.0
341.1133728027344	160.0
341.2273254394531	168.0
346.2049560546875	176.0
349.2181396484375	160.0
350.8233642578125	164.0
353.27685546875	184.0
356.914794921875	140.0
358.93304443359375	156.0
363.1968078613281	460.0
363.9200134277344	172.0
364.1986083984375	208.0
370.3725280761719	140.0
371.90625	164.0
373.1739501953125	152.0
373.45465087890625	176.0
376.6240539550781	156.0
378.2972412109375	164.0
381.0720520019531	104.0
381.19268798828125	132.0
381.2285461425781	124.0
381.34600830078125	112.0
381.4445495605469	104.0
381.633056640625	100.0
382.09423828125	164.0
382.1860046386719	144.0
382.41754150390625	136.0
382.60626220703125	160.0
382.78021240234375	200.0
382.88787841796875	116.0
382.9840393066406	396.0
383.012451171875	208.0
383.1538391113281	192.0
383.2069396972656	114656.0
383.2917175292969	224.0
383.47674560546875	144.0
383.532470703125	236.0
383.583984375	112.0
383.6351623535156	204.0
383.6644592285156	164.0
383.7655944824219	144.0
383.847412109375	268.0
383.8794860839844	184.0
383.9283142089844	328.0
383.9853210449219	124.0
384.0362548828125	220.0
384.13775634765625	180.0
384.2093200683594	17272.0
384.27862548828125	216.0
384.39910888671875	148.0
384.5598449707031	156.0
384.6661071777344	116.0
384.77947998046875	224.0
384.87152099609375	272.0
385.1370849609375	220.0
385.2135925292969	1872.0
385.2913513183594	300.0
385.50433349609375	140.0
386.1217956542969	144.0
386.22540283203125	304.0
386.28045654296875	124.0
386.452392578125	160.0
386.51397705078125	120.0
386.57769775390625	164.0
386.7225646972656	128.0
387.03094482421875	144.0
387.19647216796875	156.0
387.7498474121094	156.0
472.1638488769531	164.0
502.50799560546875	124.0
519.8809204101562	152.0
576.06884765625	152.0
888.1475830078125	168.0
1327.3216552734375	156.0
1451.7225341796875	256.0
1501.2161865234375	156.0
1647.0655517578125	152.0
1678.6854248046875	180.0
1727.712646484375	168.0
1741.755126953125	164.0
1786.4437255859375	172.0
1820.174560546875	176.0
1820.998291015625	204.0
1832.5333251953125	216.0
1845.6947021484375	140.0
1868.3458251953125	176.0
1951.0987548828125	140.0
1958.490478515625	164.0
1975.5975341796875	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079091
PEPMASS=551.160034
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=36.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_G2_H11_BD3_01_15725.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TREMULACIN [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)C3(O)C=CCCC3=O)[C@H](OC(=O)c4ccccc4)[C@@H](O)[C@@H]1O
INCHI=InChI=1S/C27H28O11/c28-14-19-21(30)22(31)23(38-24(32)16-8-2-1-3-9-16)25(37-19)36-18-11-5-4-10-17(18)15-35-26(33)27(34)13-7-6-12-20(27)29/h1-5,7-11,13,19,21-23,25,28,30-31,34H,6,12,14-15H2/t19-,21-,22+,23-,25-,27?/m1/s1
INCHIAUX=RCKCYCDBDYUIGM-LFMHJWGUSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079091
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079091
SCANS=1197
46.965641021728516	188.0
51.0073356628418	188.0
54.78187561035156	188.0
74.1847915649414	148.0
75.98202514648438	152.0
83.6306381225586	200.0
97.02915954589844	172.0
99.04210662841797	160.0
104.92562103271484	140.0
104.98436737060547	128.0
105.03396606445312	5136.0
106.03630065917969	844.0
107.05004119873047	924.0
108.0494155883789	160.0
109.02826690673828	176.0
111.9927978515625	176.0
123.04643249511719	156.0
126.99519348144531	164.0
127.03770446777344	952.0
128.0370330810547	172.0
129.03085327148438	276.0
129.04669189453125	208.0
130.03814697265625	300.0
133.02639770507812	324.0
134.0339813232422	140.0
134.34536743164062	164.0
135.04078674316406	776.0
135.22804260253906	148.0
136.9927520751953	160.0
145.05152893066406	184.0
145.68502807617188	164.0
150.86880493164062	184.0
151.03753662109375	160.0
152.98936462402344	252.0
157.89395141601562	156.0
160.98907470703125	392.0
161.02455139160156	144.0
164.9818115234375	144.0
167.02813720703125	144.0
169.04788208007812	728.0
170.04806518554688	204.0
170.99984741210938	168.0
171.96417236328125	220.0
175.06825256347656	196.0
178.89952087402344	156.0
179.030517578125	5240.0
179.07669067382812	164.0
180.0374755859375	764.0
181.03016662597656	140.0
182.9970245361328	176.0
185.7576141357422	152.0
187.05923461914062	144.0
189.05438232421875	168.0
190.06826782226562	224.0
194.85321044921875	164.0
201.001953125	176.0
201.04922485351562	268.0
210.65829467773438	140.0
216.0684814453125	152.0
217.01153564453125	140.0
231.06307983398438	388.0
232.06434631347656	156.0
233.71360778808594	180.0
241.08633422851562	1096.0
242.0868377685547	304.0
245.41567993164062	176.0
247.01443481445312	148.0
247.04478454589844	208.0
249.0708465576172	188.0
250.05503845214844	140.0
257.0755615234375	168.0
261.0437927246094	208.0
262.0609436035156	156.0
263.0251770019531	148.0
263.1220397949219	160.0
264.0299987792969	152.0
265.043212890625	152.0
267.0869140625	1716.0
268.08563232421875	160.0
270.0860595703125	156.0
271.0552062988281	140.0
274.0747985839844	144.0
274.9189453125	140.0
278.2089538574219	260.0
284.4313049316406	180.0
285.0452575683594	340.0
285.0770568847656	308.0
286.076416015625	168.0
286.16259765625	140.0
287.0181884765625	344.0
289.01123046875	140.0
289.070068359375	4752.0
289.10858154296875	152.0
289.4525451660156	96.0
290.07196044921875	844.0
290.1119384765625	192.0
291.0716552734375	124.0
291.235107421875	176.0
292.2243347167969	156.0
292.40985107421875	148.0
292.79620361328125	144.0
299.24755859375	156.0
303.0242919921875	140.0
303.4522705078125	224.0
305.0342102050781	152.0
306.04937744140625	140.0
307.0440673828125	116.0
314.8847961425781	164.0
321.03021240234375	384.0
322.04150390625	152.0
323.0402526855469	164.0
325.10968017578125	148.0
326.0865173339844	164.0
337.1037292480469	116.0
348.5940246582031	140.0
354.05169677734375	140.0
357.4038391113281	212.0
361.0440368652344	148.0
362.0847473144531	188.0
364.3568420410156	148.0
372.04833984375	212.0
379.09271240234375	132.0
387.0730285644531	148.0
387.28057861328125	144.0
395.1096496582031	328.0
396.1116027832031	212.0
398.1258544921875	132.0
401.0968322753906	216.0
403.10382080078125	244.0
406.4776916503906	144.0
411.0687561035156	312.0
412.0732727050781	124.0
413.1223449707031	188.0
414.0403137207031	184.0
414.1537170410156	160.0
417.6524963378906	160.0
418.865478515625	188.0
426.77978515625	140.0
429.08642578125	328.0
430.0922546386719	272.0
434.0712585449219	156.0
445.1263122558594	368.0
446.12628173828125	156.0
447.0964660644531	224.0
447.2157287597656	216.0
448.104248046875	168.0
455.0828552246094	144.0
459.304443359375	140.0
460.5550537109375	168.0
470.11578369140625	176.0
475.99041748046875	176.0
477.66363525390625	192.0
491.124267578125	148.0
494.5706481933594	144.0
497.28594970703125	180.0
504.6735534667969	216.0
504.9239807128906	196.0
505.8322448730469	148.0
507.1614685058594	1324.0
508.1617126464844	136.0
514.634765625	196.0
521.1068725585938	128.0
523.142822265625	112.0
524.1351928710938	120.0
525.4458618164062	168.0
532.79833984375	168.0
539.11474609375	464.0
540.1196899414062	500.0
541.142578125	244.0
542.1289672851562	148.0
542.9007568359375	120.0
543.161865234375	156.0
544.3035278320312	144.0
545.2000732421875	176.0
546.5724487304688	96.0
546.9879150390625	204.0
548.5518188476562	164.0
548.6550903320312	312.0
549.5819091796875	160.0
549.6553955078125	196.0
549.6904296875	144.0
549.7909545898438	148.0
549.86767578125	200.0
549.9623413085938	144.0
550.044677734375	96.0
550.2213134765625	148.0
550.7113037109375	172.0
550.9190063476562	156.0
550.9771728515625	140.0
551.1539916992188	75148.0
551.3466796875	220.0
551.5956420898438	168.0
551.714111328125	152.0
551.7794799804688	136.0
551.9193725585938	228.0
551.9779663085938	168.0
552.1566162109375	22556.0
552.3009643554688	200.0
552.3893432617188	140.0
552.4241943359375	160.0
552.73388671875	180.0
552.8746948242188	124.0
553.0304565429688	108.0
553.1575927734375	3908.0
553.4136352539062	132.0
554.0674438476562	128.0
554.160888671875	784.0
554.2685546875	108.0
554.5403442382812	192.0
554.944580078125	100.0
555.1480712890625	204.0
555.2227783203125	132.0
555.36083984375	100.0
555.470458984375	212.0
558.318115234375	144.0
563.0874633789062	172.0
567.1238403320312	288.0
568.12060546875	132.0
571.1259155273438	160.0
583.0884399414062	172.0
1364.94970703125	176.0
1535.783203125	156.0
1745.1129150390625	148.0
1757.5732421875	244.0
1771.434814453125	188.0
1825.103271484375	168.0
1825.6815185546875	208.0
1843.840087890625	196.0
1879.3741455078125	160.0
1909.1376953125	204.0
1915.526123046875	148.0
1928.3349609375	264.0
1938.0396728515625	228.0
1945.6348876953125	228.0
1946.363525390625	176.0
1952.6556396484375	296.0
1955.1805419921875	152.0
1962.59765625	148.0
1992.1663818359375	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079092
PEPMASS=338.18161
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_G2_H11_BD3_01_15725.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=OLOPATADINE HYDROCHLORIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CC/C=C\1/c2ccccc2COc3ccc(CC(=O)O)cc13
INCHI=InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-
INCHIAUX=JBIMVDZLSHOPLA-LSCVHKIXSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079092
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079092
SCANS=1108
45.000694274902344	164.0
46.30646514892578	140.0
46.34574890136719	140.0
46.80213165283203	228.0
47.51422119140625	168.0
47.55401611328125	152.0
47.59245300292969	192.0
48.02732849121094	204.0
48.13362503051758	180.0
48.58757781982422	160.0
48.74308395385742	144.0
48.76498794555664	168.0
48.84874725341797	172.0
49.0506591796875	228.0
49.195926666259766	148.0
49.431941986083984	156.0
49.510337829589844	184.0
49.6224365234375	152.0
50.10449981689453	152.0
50.19611740112305	176.0
50.43894958496094	164.0
50.63703536987305	144.0
51.06281661987305	156.0
51.27922821044922	148.0
51.623287200927734	160.0
51.98427963256836	168.0
52.727386474609375	176.0
53.05886459350586	192.0
53.333221435546875	164.0
53.41011428833008	168.0
53.5019645690918	184.0
53.635982513427734	172.0
54.08001708984375	164.0
54.61262893676758	148.0
54.82316207885742	164.0
55.16854476928711	192.0
55.26911544799805	160.0
55.647071838378906	140.0
55.94292068481445	144.0
56.15301513671875	164.0
56.2231330871582	144.0
56.51003646850586	156.0
57.32537841796875	144.0
57.596946716308594	168.0
57.68458938598633	148.0
58.43071365356445	144.0
58.825416564941406	144.0
59.4698371887207	144.0
59.733333587646484	164.0
59.83415222167969	148.0
59.883426666259766	172.0
60.059139251708984	172.0
60.33864212036133	140.0
60.682350158691406	192.0
60.69475173950195	156.0
61.01777267456055	176.0
61.047245025634766	160.0
61.23555374145508	156.0
61.37424850463867	144.0
61.49124526977539	164.0
61.50685501098633	148.0
61.71463394165039	172.0
61.785011291503906	164.0
61.85543441772461	156.0
62.18772888183594	220.0
62.22383499145508	200.0
62.42652893066406	156.0
62.547672271728516	180.0
62.724090576171875	172.0
63.18679428100586	144.0
63.19786834716797	172.0
63.58134841918945	160.0
63.59722137451172	172.0
64.01693725585938	140.0
64.0647201538086	164.0
64.32943725585938	152.0
64.68865966796875	196.0
64.70672607421875	292.0
64.844482421875	192.0
64.95856475830078	136.0
65.57899475097656	144.0
65.70476531982422	164.0
65.89527893066406	140.0
66.36302185058594	188.0
66.4717025756836	296.0
66.71532440185547	172.0
67.14030456542969	164.0
67.18270874023438	188.0
67.6288070678711	168.0
67.87367248535156	108.0
68.26371765136719	188.0
68.65399932861328	176.0
69.37986755371094	192.0
69.49264526367188	148.0
69.86978149414062	176.0
69.90805053710938	176.0
70.03791046142578	144.0
70.334716796875	140.0
70.9050521850586	180.0
71.42890930175781	176.0
71.53491973876953	184.0
71.9273910522461	252.0
72.1337661743164	176.0
72.7860336303711	140.0
73.06817626953125	208.0
73.08348846435547	184.0
73.25714111328125	180.0
73.53337097167969	164.0
74.26908874511719	168.0
74.37374877929688	144.0
74.46646881103516	184.0
74.56783294677734	160.0
74.88440704345703	148.0
75.13089752197266	140.0
75.77229309082031	140.0
76.10009002685547	184.0
76.17476654052734	252.0
76.30162811279297	148.0
76.35726928710938	224.0
76.58353424072266	144.0
76.79617309570312	164.0
76.96369934082031	156.0
77.04312133789062	152.0
77.3203125	160.0
77.35181427001953	212.0
77.74090576171875	156.0
78.17144012451172	164.0
78.18904113769531	236.0
78.89989471435547	140.0
78.93171691894531	156.0
79.25918579101562	160.0
79.44685363769531	136.0
79.7187728881836	200.0
80.44367218017578	144.0
80.45616149902344	172.0
80.75457763671875	140.0
80.8046646118164	148.0
80.98546600341797	164.0
81.15032958984375	140.0
81.84567260742188	152.0
82.8190689086914	220.0
83.13090515136719	156.0
83.31726837158203	156.0
83.8984603881836	216.0
84.28355407714844	164.0
84.37677001953125	204.0
84.43970489501953	184.0
84.45357513427734	216.0
84.64390563964844	148.0
84.79962158203125	248.0
84.82789611816406	188.0
85.17759704589844	160.0
85.70559692382812	200.0
85.96005249023438	144.0
86.9815673828125	136.0
87.1581039428711	168.0
87.32727813720703	208.0
87.40727233886719	172.0
87.4258804321289	276.0
87.91973114013672	172.0
88.04854583740234	144.0
88.10934448242188	180.0
88.20735931396484	164.0
88.45427703857422	164.0
88.93036651611328	220.0
89.05746459960938	180.0
89.18769073486328	140.0
89.4077377319336	156.0
89.5545883178711	148.0
89.59414672851562	164.0
89.89393615722656	164.0
90.72247314453125	136.0
91.05464172363281	1016.0
91.0829086303711	208.0
91.12660217285156	160.0
91.36804962158203	192.0
91.54887390136719	140.0
91.72606658935547	156.0
91.93204498291016	176.0
92.0566177368164	280.0
92.1516342163086	200.0
92.61074829101562	144.0
93.04988098144531	148.0
93.06977844238281	176.0
93.28810119628906	168.0
93.40347290039062	144.0
93.78472137451172	140.0
93.87725830078125	204.0
93.93318939208984	192.0
94.445068359375	180.0
94.48955535888672	196.0
94.61341857910156	260.0
94.87300872802734	184.0
94.97409057617188	128.0
95.04863739013672	348.0
95.0630874633789	236.0
95.66171264648438	140.0
96.09630584716797	228.0
97.03705596923828	156.0
97.46493530273438	188.0
97.56124114990234	148.0
97.7559585571289	144.0
97.99224090576172	148.0
98.04741668701172	144.0
98.47554016113281	168.0
98.73839569091797	144.0
98.79180145263672	248.0
99.0550765991211	184.0
99.52708435058594	180.0
100.61615753173828	172.0
100.65808868408203	184.0
100.71101379394531	152.0
101.12789154052734	168.0
101.50652313232422	168.0
101.62286376953125	296.0
101.87380981445312	184.0
102.19548034667969	176.0
102.3504638671875	216.0
102.66850280761719	160.0
103.06449890136719	208.0
103.86213684082031	148.0
104.0833511352539	148.0
104.2750244140625	236.0
104.29259490966797	152.0
104.4511947631836	228.0
104.48577880859375	160.0
104.6771011352539	156.0
104.81969451904297	140.0
105.07044982910156	908.0
105.30113983154297	152.0
105.92088317871094	148.0
106.07456970214844	140.0
106.26692962646484	160.0
106.70275115966797	164.0
106.83230590820312	140.0
107.04969024658203	340.0
107.12256622314453	236.0
107.24413299560547	140.0
107.31216430664062	164.0
107.52876281738281	164.0
107.80342864990234	144.0
107.90057373046875	148.0
108.29788208007812	208.0
108.41182708740234	144.0
108.59426879882812	188.0
108.9658432006836	180.0
109.0650634765625	1392.0
109.1861801147461	192.0
109.31932067871094	168.0
109.99459075927734	148.0
110.0259017944336	140.0
110.0689697265625	188.0
110.42082977294922	160.0
110.4605712890625	316.0
110.48297119140625	124.0
110.7955093383789	140.0
110.90238189697266	144.0
111.04075622558594	216.0
111.18107604980469	204.0
111.78654479980469	160.0
112.04552459716797	148.0
112.12559509277344	140.0
112.60450744628906	144.0
112.9088363647461	180.0
113.30889892578125	192.0
113.38094329833984	144.0
113.62903594970703	148.0
113.6778335571289	148.0
113.69905853271484	160.0
114.08871459960938	336.0
114.20258331298828	152.0
114.34513092041016	160.0
114.4877700805664	140.0
114.50267791748047	144.0
114.91194915771484	140.0
114.99893188476562	184.0
115.02719116210938	140.0
115.05522155761719	4804.0
115.09764099121094	140.0
115.31981658935547	152.0
115.55931854248047	168.0
115.5871353149414	212.0
115.66204071044922	148.0
115.89761352539062	180.0
115.92118072509766	148.0
116.06005859375	952.0
116.2750244140625	140.0
116.88533020019531	144.0
117.0703353881836	6692.0
117.28590393066406	168.0
117.35272979736328	184.0
117.48320770263672	96.0
117.58786010742188	164.0
117.81196594238281	152.0
117.95720672607422	172.0
117.98747253417969	180.0
118.07473754882812	392.0
118.11505889892578	176.0
118.20592498779297	148.0
118.25786590576172	152.0
118.56756591796875	204.0
118.58707427978516	188.0
118.65779876708984	128.0
118.7518539428711	144.0
118.78773498535156	156.0
119.0497055053711	1356.0
119.2533950805664	160.0
119.70372009277344	168.0
119.81698608398438	148.0
119.96735382080078	196.0
120.06179809570312	252.0
120.19417572021484	172.0
120.40089416503906	184.0
120.46271514892578	152.0
120.60037231445312	208.0
120.77181243896484	156.0
120.8299789428711	220.0
121.0291519165039	140.0
121.06627655029297	548.0
121.42140197753906	192.0
121.5727767944336	172.0
121.82746887207031	148.0
121.86701202392578	176.0
122.06483459472656	152.0
122.48078918457031	220.0
122.5556869506836	148.0
123.04520416259766	6404.0
123.1888656616211	148.0
123.67533111572266	144.0
123.74838256835938	140.0
124.00978088378906	152.0
124.04566955566406	324.0
124.10066986083984	164.0
124.6733627319336	144.0
124.89124298095703	216.0
124.960205078125	140.0
125.39888000488281	152.0
125.59062957763672	160.0
125.91425323486328	140.0
126.00466918945312	176.0
126.04605102539062	156.0
126.2025146484375	232.0
126.32804107666016	192.0
126.41053771972656	228.0
126.7598648071289	168.0
127.05082702636719	140.0
127.25108337402344	148.0
127.72557067871094	120.0
127.79048919677734	164.0
128.06275939941406	1196.0
128.0944061279297	212.0
128.22509765625	196.0
128.32713317871094	120.0
128.35133361816406	140.0
128.45538330078125	176.0
128.60400390625	196.0
128.7033233642578	152.0
128.76429748535156	160.0
129.01446533203125	168.0
129.0704345703125	3232.0
129.13916015625	132.0
129.1854248046875	140.0
129.3171844482422	132.0
129.4517822265625	184.0
129.52601623535156	152.0
130.0003662109375	180.0
130.07484436035156	724.0
130.1047821044922	140.0
130.2900848388672	148.0
130.4182586669922	176.0
130.55239868164062	176.0
130.6115264892578	228.0
130.6865997314453	168.0
130.80722045898438	140.0
131.04925537109375	2616.0
131.0822296142578	160.0
131.32444763183594	176.0
132.05067443847656	140.0
132.13829040527344	108.0
132.85244750976562	212.0
132.90750122070312	196.0
132.9258575439453	160.0
133.06040954589844	132.0
133.14532470703125	140.0
134.0618438720703	160.0
134.09181213378906	144.0
134.50466918945312	144.0
134.6639862060547	144.0
134.7217254638672	140.0
134.79104614257812	144.0
134.90660095214844	156.0
134.93434143066406	160.0
134.9551544189453	152.0
135.04635620117188	272.0
135.55465698242188	156.0
135.99993896484375	316.0
136.11041259765625	224.0
136.14923095703125	132.0
136.31704711914062	184.0
136.4040985107422	168.0
136.75083923339844	184.0
136.77540588378906	140.0
136.96253967285156	172.0
137.06076049804688	8524.0
137.2430419921875	144.0
138.06280517578125	924.0
138.25131225585938	148.0
138.4783935546875	188.0
138.69161987304688	144.0
138.76194763183594	144.0
138.90733337402344	180.0
138.9894561767578	140.0
139.03829956054688	172.0
139.06689453125	148.0
139.12088012695312	200.0
140.0602264404297	140.0
140.93435668945312	180.0
141.07098388671875	10624.0
141.1722869873047	140.0
141.2085723876953	140.0
141.29736328125	112.0
141.9972381591797	176.0
142.0756072998047	2276.0
142.11822509765625	240.0
142.2962188720703	164.0
142.87135314941406	148.0
142.97998046875	172.0
143.08489990234375	844.0
143.2442626953125	112.0
143.33006286621094	144.0
144.05615234375	176.0
144.09010314941406	352.0
144.1397705078125	160.0
144.5582275390625	164.0
145.01565551757812	188.0
145.0643768310547	580.0
145.5578155517578	168.0
145.63226318359375	312.0
146.22286987304688	180.0
146.2863006591797	156.0
146.79225158691406	144.0
146.98497009277344	144.0
147.04421997070312	488.0
147.1300506591797	156.0
147.24734497070312	124.0
147.33290100097656	164.0
147.80194091796875	144.0
147.9253692626953	144.0
147.9892120361328	208.0
148.05369567871094	168.0
148.10455322265625	156.0
148.1699676513672	220.0
148.23538208007812	144.0
149.0623321533203	880.0
149.21841430664062	160.0
149.48744201660156	152.0
149.71722412109375	156.0
149.78298950195312	172.0
150.068115234375	144.0
150.27786254882812	148.0
150.82977294921875	188.0
151.0498504638672	152.0
151.24314880371094	152.0
151.27078247070312	152.0
151.55831909179688	104.0
151.76495361328125	144.0
151.860595703125	212.0
152.05990600585938	436.0
152.0912322998047	192.0
152.23362731933594	164.0
152.27291870117188	156.0
152.37855529785156	164.0
152.56161499023438	196.0
153.071533203125	612.0
153.1485137939453	164.0
153.34808349609375	220.0
153.47926330566406	112.0
153.65878295898438	232.0
153.95498657226562	224.0
154.07347106933594	220.0
154.84033203125	140.0
155.0515899658203	148.0
155.0938720703125	356.0
155.187255859375	144.0
155.27157592773438	196.0
155.50230407714844	192.0
155.58172607421875	152.0
155.68849182128906	176.0
156.063720703125	168.0
156.09852600097656	172.0
156.29751586914062	168.0
156.9152069091797	152.0
156.98252868652344	168.0
157.06729125976562	288.0
157.61407470703125	144.0
158.09620666503906	552.0
158.19680786132812	152.0
158.31948852539062	164.0
158.3695831298828	160.0
158.4722900390625	188.0
158.5198974609375	176.0
158.6677703857422	160.0
158.8157196044922	160.0
159.08094787597656	148.0
159.10824584960938	176.0
159.29263305664062	180.0
159.4408721923828	216.0
160.0848846435547	292.0
160.11012268066406	132.0
160.25575256347656	144.0
160.29144287109375	164.0
160.4426727294922	176.0
160.51797485351562	148.0
160.6822509765625	168.0
161.06082153320312	1192.0
161.08328247070312	220.0
161.2756805419922	176.0
161.6094970703125	140.0
161.63226318359375	196.0
162.0650634765625	176.0
162.3832244873047	164.0
162.97434997558594	120.0
163.03866577148438	144.0
163.0701446533203	148.0
163.44143676757812	488.0
163.5361328125	132.0
163.63232421875	196.0
163.7341766357422	204.0
163.78001403808594	168.0
164.10621643066406	172.0
164.14190673828125	144.0
164.29238891601562	148.0
164.41920471191406	176.0
164.4753875732422	160.0
164.514404296875	176.0
164.74423217773438	152.0
164.7723388671875	216.0
164.8313446044922	128.0
164.91671752929688	160.0
165.00057983398438	144.0
165.02395629882812	184.0
165.0555877685547	56224.0
165.14215087890625	256.0
165.26792907714844	124.0
165.34036254882812	140.0
165.61212158203125	236.0
165.67861938476562	176.0
165.7339630126953	136.0
165.8414764404297	448.0
165.91888427734375	156.0
165.93804931640625	108.0
166.0137481689453	156.0
166.05902099609375	5436.0
166.103515625	204.0
166.3832244873047	160.0
166.81480407714844	264.0
167.05963134765625	452.0
167.1109619140625	132.0
167.16595458984375	136.0
167.2376251220703	232.0
167.2705535888672	160.0
167.38987731933594	116.0
167.83279418945312	156.0
168.0587158203125	148.0
168.0895538330078	196.0
168.1954803466797	152.0
168.68368530273438	148.0
169.06654357910156	656.0
169.10011291503906	168.0
169.5792694091797	164.0
169.97998046875	224.0
170.02793884277344	156.0
170.06968688964844	188.0
170.0966339111328	172.0
171.0493927001953	140.0
171.07803344726562	164.0
171.1029815673828	280.0
171.4921875	140.0
172.11019897460938	624.0
172.87896728515625	224.0
172.98104858398438	196.0
172.99937438964844	168.0
173.0177001953125	140.0
173.06333923339844	128.0
173.1210174560547	1468.0
173.58753967285156	132.0
173.65968322753906	144.0
174.12701416015625	436.0
174.42901611328125	164.0
174.98146057128906	156.0
175.1405029296875	152.0
175.42404174804688	148.0
175.57168579101562	148.0
175.70559692382812	120.0
176.05990600585938	144.0
176.42189025878906	140.0
176.57789611816406	152.0
176.8614044189453	260.0
177.05604553222656	440.0
177.4172821044922	204.0
177.91336059570312	156.0
178.0398406982422	176.0
178.0784149169922	3028.0
178.18690490722656	144.0
178.4048309326172	192.0
178.8925323486328	168.0
179.08538818359375	8484.0
179.1552734375	156.0
180.0901641845703	844.0
180.24249267578125	104.0
180.61007690429688	144.0
180.6849822998047	192.0
180.80271911621094	212.0
181.06536865234375	244.0
181.09661865234375	444.0
181.12936401367188	188.0
181.20169067382812	208.0
181.42413330078125	148.0
181.54478454589844	236.0
181.97947692871094	160.0
182.11105346679688	168.0
182.57870483398438	148.0
182.8746337890625	180.0
182.9419403076172	200.0
183.0730743408203	220.0
183.12234497070312	184.0
183.2462615966797	200.0
183.31092834472656	172.0
183.46185302734375	172.0
183.66139221191406	156.0
184.11636352539062	168.0
184.3039093017578	168.0
185.00437927246094	140.0
185.11761474609375	260.0
185.48927307128906	252.0
185.54620361328125	160.0
185.62754821777344	188.0
186.12684631347656	1124.0
186.30335998535156	168.0
186.37672424316406	228.0
186.83348083496094	192.0
187.07862854003906	720.0
187.13070678710938	756.0
187.17369079589844	196.0
187.45152282714844	180.0
187.48695373535156	180.0
187.58865356445312	344.0
187.6668701171875	220.0
188.07510375976562	136.0
188.1095428466797	144.0
188.1301727294922	112.0
188.17979431152344	152.0
188.31906127929688	180.0
188.45936584472656	164.0
188.48297119140625	148.0
188.7344512939453	172.0
189.0553436279297	1436.0
189.14207458496094	148.0
190.057373046875	404.0
190.0772705078125	888.0
190.13424682617188	176.0
190.47195434570312	140.0
191.08567810058594	3412.0
191.14060974121094	204.0
191.18812561035156	148.0
191.33123779296875	168.0
191.56675720214844	176.0
192.03932189941406	252.0
192.09185791015625	712.0
192.57077026367188	196.0
192.64259338378906	160.0
192.7669219970703	172.0
193.0664520263672	444.0
193.10104370117188	3276.0
193.2245635986328	124.0
193.32827758789062	196.0
193.50820922851562	184.0
193.57188415527344	292.0
193.6865234375	112.0
193.75746154785156	156.0
193.80178833007812	180.0
193.85720825195312	164.0
194.0096435546875	144.0
194.07064819335938	264.0
194.10401916503906	340.0
194.16769409179688	148.0
194.3424530029297	160.0
194.45921325683594	208.0
194.8394317626953	176.0
195.07664489746094	740.0
195.1192626953125	144.0
195.26470947265625	152.0
195.43161010742188	176.0
195.6654052734375	144.0
196.0825958251953	140.0
196.12225341796875	232.0
196.21981811523438	196.0
196.27000427246094	156.0
196.73313903808594	168.0
196.76942443847656	168.0
196.8075408935547	164.0
197.09759521484375	168.0
197.51275634765625	160.0
197.54913330078125	172.0
197.5747528076172	124.0
198.06138610839844	184.0
198.14541625976562	152.0
198.33966064453125	164.0
198.658447265625	180.0
198.97274780273438	204.0
199.2816925048828	220.0
199.76805114746094	176.0
200.3800506591797	112.0
200.40994262695312	156.0
200.6156768798828	140.0
200.6551513671875	140.0
201.06881713867188	264.0
201.19964599609375	144.0
201.40611267089844	136.0
201.5413818359375	192.0
202.07809448242188	1032.0
202.56552124023438	148.0
202.85739135742188	164.0
203.0189971923828	144.0
203.0858612060547	2552.0
203.59507751464844	172.0
204.09375	5952.0
204.3426513671875	144.0
204.98899841308594	144.0
205.06344604492188	1192.0
205.10107421875	5448.0
205.33108520507812	140.0
205.82749938964844	96.0
206.07266235351562	1608.0
206.106201171875	1236.0
206.56784057617188	160.0
207.03851318359375	148.0
207.0813751220703	5296.0
207.11109924316406	512.0
207.2560272216797	136.0
207.89678955078125	124.0
208.00057983398438	144.0
208.08834838867188	1372.0
208.25900268554688	152.0
208.81198120117188	100.0
209.09201049804688	556.0
209.1315155029297	196.0
209.25685119628906	168.0
209.9468231201172	184.0
210.0868377685547	168.0
210.18507385253906	160.0
210.404296875	144.0
210.49378967285156	184.0
210.90113830566406	176.0
210.96762084960938	144.0
211.07626342773438	180.0
211.2105255126953	236.0
211.4237823486328	180.0
211.99221801757812	160.0
212.81600952148438	252.0
212.964111328125	176.0
213.09483337402344	152.0
213.2734375	112.0
213.57447814941406	172.0
213.80039978027344	112.0
214.0808868408203	140.0
214.3867645263672	156.0
214.45379638671875	148.0
214.9028778076172	168.0
215.08541870117188	3296.0
215.1363525390625	152.0
215.33688354492188	184.0
215.4822998046875	96.0
215.79653930664062	160.0
216.09506225585938	1292.0
216.1271209716797	188.0
217.06658935546875	164.0
217.10072326660156	1488.0
217.31082153320312	156.0
217.46047973632812	148.0
218.07272338867188	1996.0
218.1065216064453	284.0
218.8407745361328	132.0
218.90394592285156	192.0
219.08155822753906	6968.0
219.11705017089844	8980.0
219.17999267578125	208.0
219.34393310546875	128.0
219.66827392578125	132.0
219.74765014648438	168.0
219.8177490234375	144.0
219.9269561767578	200.0
220.08412170410156	1856.0
220.12185668945312	1572.0
220.23696899414062	192.0
220.38352966308594	204.0
220.44969177246094	212.0
221.09678649902344	10940.0
221.34359741210938	184.0
221.3696746826172	156.0
221.51480102539062	176.0
221.6984100341797	148.0
221.74888610839844	148.0
221.98011779785156	172.0
222.0989990234375	1240.0
222.1424560546875	136.0
222.22926330566406	196.0
222.46669006347656	156.0
222.63592529296875	168.0
222.95486450195312	112.0
223.074462890625	912.0
223.1082305908203	280.0
223.2302703857422	224.0
223.4116973876953	180.0
223.630859375	164.0
223.82382202148438	188.0
223.89389038085938	180.0
224.08106994628906	520.0
224.14112854003906	200.0
224.34747314453125	156.0
224.49586486816406	144.0
225.08984375	624.0
225.4033203125	192.0
225.72134399414062	196.0
225.77699279785156	148.0
225.9504852294922	220.0
226.0697784423828	152.0
226.13600158691406	168.0
226.66307067871094	140.0
226.72900390625	140.0
227.08380126953125	104.0
227.11436462402344	176.0
227.24305725097656	212.0
228.093017578125	1704.0
228.13970947265625	152.0
228.75038146972656	188.0
228.7895050048828	180.0
229.03643798828125	148.0
229.10140991210938	18656.0
229.1582794189453	172.0
229.60585021972656	164.0
229.89266967773438	144.0
229.98146057128906	164.0
230.01771545410156	184.0
230.0755615234375	256.0
230.10606384277344	3156.0
230.2790985107422	152.0
230.32742309570312	148.0
230.51171875	168.0
230.71246337890625	172.0
231.03709411621094	180.0
231.0819549560547	4808.0
231.11172485351562	660.0
231.63633728027344	144.0
231.74346923828125	96.0
231.9066162109375	104.0
231.9765625	148.0
232.04241943359375	216.0
232.08909606933594	21316.0
232.2828369140625	164.0
232.46371459960938	116.0
232.59361267089844	220.0
232.64697265625	204.0
232.77145385742188	160.0
233.09521484375	8080.0
233.37307739257812	256.0
233.47720336914062	216.0
233.6756591796875	168.0
233.80665588378906	112.0
234.0150604248047	144.0
234.0662078857422	196.0
234.1040802001953	8412.0
234.2312774658203	208.0
234.2989959716797	124.0
234.87857055664062	124.0
235.0720977783203	452.0
235.10772705078125	1460.0
235.142578125	208.0
235.6620635986328	184.0
235.93406677246094	160.0
236.08456420898438	160.0
236.11473083496094	204.0
236.65914916992188	180.0
237.05322265625	172.0
237.09133911132812	276.0
237.1232452392578	192.0
237.19024658203125	132.0
237.28042602539062	200.0
237.36953735351562	172.0
237.895751953125	112.0
238.09877014160156	316.0
238.6073760986328	188.0
239.07296752929688	228.0
239.1063690185547	172.0
239.85720825195312	184.0
239.92503356933594	164.0
240.00827026367188	176.0
240.08734130859375	124.0
240.13162231445312	148.0
240.8723907470703	160.0
241.39161682128906	276.0
241.75045776367188	144.0
242.156005859375	148.0
242.29995727539062	152.0
242.3561248779297	168.0
242.44412231445312	164.0
242.5135498046875	140.0
243.08724975585938	316.0
243.2474365234375	164.0
243.28468322753906	144.0
243.32814025878906	208.0
243.7785186767578	160.0
244.09559631347656	184.0
244.3278045654297	188.0
244.6014862060547	184.0
245.0968780517578	1492.0
245.58108520507812	188.0
245.708984375	160.0
245.77450561523438	140.0
245.81195068359375	164.0
245.97735595703125	160.0
246.1033172607422	616.0
246.13629150390625	108.0
246.35208129882812	144.0
246.38644409179688	152.0
246.81529235839844	152.0
246.88812255859375	104.0
246.92295837402344	168.0
246.98553466796875	208.0
247.00852966308594	212.0
247.0797119140625	480.0
247.11343383789062	67500.0
247.25799560546875	164.0
247.32737731933594	128.0
247.3991241455078	104.0
247.47482299804688	156.0
247.5153350830078	128.0
247.58184814453125	328.0
247.65232849121094	176.0
247.79742431640625	176.0
248.11619567871094	12716.0
248.32159423828125	164.0
248.76345825195312	188.0
248.9342498779297	128.0
249.09884643554688	480.0
249.12355041503906	1932.0
249.19357299804688	188.0
249.4951629638672	100.0
249.55758666992188	120.0
249.6210479736328	144.0
249.67398071289062	332.0
249.7242431640625	108.0
249.75726318359375	156.0
249.8726806640625	140.0
249.93580627441406	188.0
249.97134399414062	120.0
250.0950469970703	112.0
250.12188720703125	276.0
250.1936798095703	140.0
250.5243377685547	140.0
250.95497131347656	144.0
251.0658721923828	148.0
251.1055145263672	116.0
251.9893798828125	104.0
252.07839965820312	5176.0
252.6077880859375	144.0
252.76991271972656	116.0
253.02235412597656	156.0
253.086669921875	6944.0
253.13951110839844	244.0
254.0906982421875	1232.0
254.45156860351562	204.0
254.54107666015625	148.0
254.69033813476562	176.0
255.08876037597656	104.0
255.14157104492188	140.0
255.25921630859375	140.0
256.3464050292969	176.0
256.3924865722656	164.0
256.48175048828125	272.0
256.9322204589844	220.0
257.0994567871094	804.0
257.1496887207031	120.0
257.3813781738281	180.0
257.65606689453125	168.0
257.9564514160156	144.0
258.1035461425781	352.0
258.81201171875	112.0
259.0209655761719	116.0
259.6289367675781	188.0
259.6630554199219	152.0
259.7111511230469	172.0
260.08221435546875	360.0
260.84783935546875	140.0
261.092529296875	224.0
261.1166076660156	264.0
261.1436462402344	156.0
261.462158203125	164.0
261.78729248046875	152.0
262.641357421875	252.0
263.0714111328125	280.0
264.0730285644531	432.0
264.1756896972656	152.0
264.622314453125	144.0
265.0846862792969	1736.0
265.114501953125	488.0
265.7729187011719	172.0
266.061767578125	192.0
266.0882873535156	136.0
266.1255798339844	144.0
266.1805419921875	152.0
266.31829833984375	192.0
266.36376953125	144.0
266.6863098144531	188.0
267.0138244628906	140.0
267.1007080078125	144.0
267.1797180175781	164.0
268.228271484375	228.0
268.7337646484375	140.0
268.9279479980469	152.0
269.1949157714844	112.0
269.6332702636719	172.0
270.403564453125	144.0
270.459228515625	164.0
271.38189697265625	104.0
271.5994873046875	240.0
271.8648376464844	132.0
272.636962890625	236.0
273.5404357910156	156.0
273.74884033203125	208.0
274.2496032714844	144.0
274.3419189453125	208.0
274.5906066894531	104.0
274.9190979003906	160.0
275.107177734375	712.0
276.0687255859375	268.0
276.1136474609375	324.0
276.71063232421875	172.0
277.0836486816406	184.0
277.1222839355469	96.0
278.0963439941406	672.0
278.59893798828125	124.0
278.6940002441406	148.0
278.9731750488281	144.0
279.1044006347656	300.0
280.0934753417969	136.0
280.3111267089844	148.0
280.4211120605469	144.0
280.52532958984375	152.0
280.5677795410156	156.0
281.6355895996094	248.0
281.72412109375	168.0
282.0131530761719	208.0
282.12774658203125	180.0
282.32757568359375	164.0
283.865966796875	180.0
284.45831298828125	148.0
284.7528076171875	180.0
284.9486083984375	240.0
285.14013671875	144.0
285.97088623046875	184.0
286.1829528808594	172.0
286.5729675292969	196.0
288.99139404296875	136.0
289.3650207519531	144.0
289.5478515625	132.0
289.6343078613281	188.0
290.0560607910156	128.0
291.1043701171875	264.0
291.1639404296875	140.0
291.81097412109375	136.0
291.8809814453125	164.0
292.12030029296875	196.0
292.1752624511719	324.0
292.9018249511719	208.0
292.94464111328125	112.0
293.0518493652344	160.0
293.11865234375	21668.0
293.2434387207031	108.0
293.2864074707031	136.0
293.4827575683594	104.0
293.7051696777344	168.0
293.876953125	224.0
294.0547180175781	128.0
294.12115478515625	3572.0
294.18402099609375	328.0
294.447021484375	144.0
294.52215576171875	208.0
294.6109619140625	156.0
294.7134704589844	312.0
294.85699462890625	160.0
295.1260681152344	488.0
295.1856689453125	136.0
295.5682678222656	220.0
295.71728515625	132.0
295.8352355957031	164.0
296.1327819824219	116.0
296.69384765625	140.0
297.09967041015625	144.0
297.7943115234375	176.0
297.8549499511719	216.0
298.4964599609375	164.0
299.4681091308594	164.0
299.9918518066406	140.0
301.2704772949219	116.0
301.6937561035156	152.0
301.8389587402344	188.0
303.6605224609375	160.0
304.0872497558594	236.0
304.14788818359375	136.0
304.6150207519531	160.0
304.823486328125	176.0
304.93817138671875	204.0
305.1258544921875	156.0
305.2507019042969	196.0
305.62322998046875	164.0
305.8389892578125	156.0
305.9468994140625	184.0
306.0199890136719	180.0
306.1585998535156	144.0
306.2533264160156	236.0
306.807373046875	236.0
307.13330078125	292.0
307.4163818359375	176.0
307.685546875	172.0
307.8506164550781	164.0
308.12725830078125	120.0
308.17547607421875	144.0
308.3396911621094	160.0
308.48419189453125	140.0
309.0415954589844	128.0
309.690185546875	192.0
310.1302795410156	104.0
310.29290771484375	164.0
310.55096435546875	184.0
311.1228942871094	104.0
311.6406555175781	148.0
312.38946533203125	244.0
312.8011779785156	164.0
313.1587219238281	144.0
313.45977783203125	196.0
313.53729248046875	176.0
313.72412109375	156.0
314.02734375	208.0
314.9414978027344	140.0
314.9944763183594	200.0
315.8605041503906	148.0
315.9158020019531	164.0
317.2237854003906	168.0
317.267333984375	100.0
319.1871337890625	180.0
319.6424255371094	188.0
320.1692810058594	144.0
321.3455810546875	200.0
321.7774353027344	276.0
322.07928466796875	180.0
322.1368408203125	100.0
322.3310546875	144.0
322.7027587890625	148.0
322.837158203125	268.0
322.9882507324219	120.0
323.1448974609375	176.0
323.7304992675781	144.0
323.92669677734375	152.0
324.0162353515625	160.0
324.14459228515625	156.0
324.27239990234375	180.0
324.3583679199219	140.0
325.23187255859375	180.0
325.84234619140625	160.0
326.88507080078125	144.0
329.2026062011719	128.0
329.4593811035156	168.0
329.50994873046875	240.0
329.57861328125	144.0
329.7990417480469	160.0
330.1171875	208.0
330.6417541503906	156.0
332.0655517578125	144.0
332.3194885253906	208.0
332.52996826171875	224.0
333.0938415527344	208.0
333.5677795410156	308.0
334.2391662597656	124.0
334.2670593261719	156.0
334.3216247558594	196.0
334.5863952636719	172.0
334.72412109375	120.0
334.845458984375	140.0
335.02581787109375	100.0
335.4922790527344	120.0
335.9125671386719	144.0
335.94482421875	144.0
336.0078125	136.0
336.0816345214844	144.0
336.1482849121094	184.0
336.1976623535156	120.0
336.2373352050781	264.0
336.2750549316406	188.0
336.388916015625	184.0
336.414306640625	224.0
336.44598388671875	196.0
336.6575927734375	268.0
336.70556640625	216.0
336.7798767089844	100.0
336.841552734375	204.0
336.8876953125	204.0
336.98858642578125	180.0
337.06402587890625	256.0
337.13909912109375	204.0
337.17877197265625	348.0
337.2169189453125	208.0
337.27685546875	212.0
337.31146240234375	136.0
337.3562316894531	172.0
337.39923095703125	284.0
337.460693359375	336.0
337.5252380371094	316.0
337.568115234375	204.0
337.6094665527344	172.0
337.6331481933594	312.0
337.6476745605469	204.0
337.68914794921875	276.0
337.7350769042969	200.0
337.79815673828125	564.0
337.82470703125	340.0
337.86309814453125	252.0
337.889892578125	460.0
338.00958251953125	576.0
338.0427551269531	608.0
338.0772399902344	660.0
338.1070556640625	512.0
338.11767578125	600.0
338.1788024902344	237700.0
338.2934265136719	308.0
338.41973876953125	328.0
338.46771240234375	476.0
338.52288818359375	732.0
338.5597229003906	640.0
338.5843505859375	748.0
338.63323974609375	676.0
338.6694030761719	340.0
338.735107421875	968.0
338.78472900390625	12056.0
338.81890869140625	580.0
338.8674621582031	312.0
338.91546630859375	340.0
338.9543762207031	308.0
339.03704833984375	276.0
339.078125	288.0
339.1807556152344	142396.0
339.25982666015625	120.0
339.3271484375	268.0
339.35394287109375	240.0
339.4169616699219	168.0
339.45263671875	180.0
339.4927673339844	144.0
339.5601806640625	164.0
339.5982666015625	120.0
339.63232421875	316.0
339.6747741699219	156.0
339.7837829589844	324.0
339.8595275878906	100.0
339.9192199707031	244.0
339.9552917480469	140.0
339.98248291015625	244.0
340.0132141113281	204.0
340.1825256347656	18328.0
340.312744140625	276.0
340.4051513671875	156.0
340.4466857910156	108.0
340.48419189453125	212.0
340.6195373535156	208.0
340.67913818359375	200.0
340.7478942871094	100.0
340.78765869140625	208.0
340.8626403808594	192.0
340.8868103027344	200.0
340.91876220703125	372.0
340.9414367675781	272.0
340.98681640625	248.0
341.18292236328125	1616.0
341.3043518066406	424.0
341.35845947265625	380.0
341.4284362792969	344.0
341.4822998046875	472.0
341.5424499511719	384.0
341.6089172363281	300.0
341.7080078125	156.0
342.2093200683594	180.0
342.2490234375	112.0
342.3711242675781	168.0
342.4162902832031	188.0
342.49346923828125	384.0
342.5890197753906	304.0
343.3301086425781	152.0
343.36981201171875	104.0
343.49407958984375	96.0
343.5518798828125	96.0
343.6201477050781	128.0
343.7510681152344	148.0
344.216552734375	188.0
346.33795166015625	120.0
349.6972351074219	116.0
350.3627014160156	128.0
351.7835693359375	112.0
352.2864990234375	156.0
352.3893737792969	104.0
355.58551025390625	120.0
356.29681396484375	104.0
358.1737060546875	100.0
359.01629638671875	148.0
359.1835021972656	108.0
360.50726318359375	96.0
360.6018981933594	148.0
361.7827453613281	112.0
368.1545715332031	156.0
369.2030944824219	152.0
381.4162902832031	148.0
397.7655029296875	140.0
418.9757080078125	144.0
452.2005615234375	160.0
470.2459716796875	156.0
474.06695556640625	160.0
536.6338500976562	136.0
543.5936889648438	160.0
613.3453369140625	168.0
628.0621337890625	152.0
630.5785522460938	156.0
795.6322631835938	112.0
802.0902709960938	108.0
1115.05126953125	180.0
1156.2109375	176.0
1177.72265625	172.0
1201.9913330078125	140.0
1218.5533447265625	144.0
1247.96435546875	168.0
1255.3719482421875	172.0
1285.79931640625	256.0
1346.2205810546875	156.0
1403.902099609375	188.0
1411.720703125	224.0
1417.349853515625	184.0
1439.744140625	152.0
1461.8953857421875	176.0
1489.664794921875	164.0
1548.265625	184.0
1578.7529296875	224.0
1585.085693359375	168.0
1614.4678955078125	140.0
1618.060546875	168.0
1625.8116455078125	252.0
1629.6337890625	292.0
1639.38623046875	172.0
1646.461181640625	156.0
1647.5758056640625	172.0
1659.8863525390625	200.0
1667.0296630859375	140.0
1671.24169921875	152.0
1678.9884033203125	156.0
1681.0360107421875	148.0
1685.0859375	180.0
1695.4697265625	168.0
1718.87353515625	156.0
1743.2021484375	164.0
1751.6134033203125	204.0
1759.2017822265625	168.0
1760.6044921875	188.0
1765.9951171875	160.0
1766.739501953125	160.0
1766.8232421875	192.0
1773.0361328125	152.0
1781.0989990234375	148.0
1781.60302734375	144.0
1802.5823974609375	148.0
1814.8983154296875	204.0
1831.7679443359375	156.0
1832.884033203125	160.0
1833.1226806640625	208.0
1835.689697265625	136.0
1836.421875	168.0
1837.92333984375	240.0
1843.260009765625	232.0
1847.911376953125	216.0
1848.3392333984375	152.0
1850.727294921875	144.0
1868.89794921875	196.0
1872.33251953125	192.0
1877.770751953125	144.0
1897.9803466796875	236.0
1902.760986328125	148.0
1910.6522216796875	144.0
1913.8724365234375	164.0
1917.383056640625	168.0
1921.1759033203125	168.0
1927.3834228515625	160.0
1932.428466796875	144.0
1934.2574462890625	144.0
1935.2554931640625	196.0
1942.0733642578125	192.0
1945.9871826171875	156.0
1949.043701171875	184.0
1950.2213134765625	208.0
1954.178466796875	168.0
1964.275634765625	224.0
1968.369384765625	180.0
1972.9107666015625	156.0
1974.2900390625	144.0
1979.812255859375	208.0
1980.591552734375	180.0
1985.3243408203125	172.0
1987.613037109375	184.0
1995.7491455078125	196.0
1997.919189453125	180.0
1998.81787109375	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079093
PEPMASS=417.170258
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_G2_H11_BD3_01_15725.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Brucine [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cc2N3[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@@]74c2cc1OC)CC6=CCO[C@H]5CC3=O
INCHI=InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1
INCHIAUX=RRKTZKIUPZVBMF-IBTVXLQLSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079093
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079093
SCANS=2065
44.95932388305664	208.0
89.61489868164062	164.0
131.42257690429688	156.0
135.96514892578125	148.0
139.60728454589844	212.0
171.10150146484375	156.0
182.11109924316406	180.0
183.1038055419922	320.0
184.04466247558594	192.0
184.0797576904297	228.0
192.0795135498047	176.0
192.89410400390625	140.0
198.09356689453125	244.0
210.09498596191406	124.0
211.35812377929688	160.0
211.91114807128906	144.0
212.9612579345703	148.0
226.0852508544922	628.0
226.95387268066406	156.0
228.1014404296875	208.0
233.85682678222656	204.0
235.0666961669922	160.0
238.79501342773438	168.0
239.0850830078125	156.0
240.1070098876953	176.0
241.07339477539062	108.0
242.08218383789062	188.0
247.3214874267578	216.0
249.11195373535156	180.0
253.07192993164062	268.0
254.081787109375	420.0
255.08636474609375	368.0
256.0851135253906	144.0
257.3431396484375	160.0
259.07220458984375	148.0
270.0633850097656	160.0
271.0836486816406	1032.0
272.0846252441406	256.0
273.0805969238281	156.0
273.41644287109375	140.0
275.0743103027344	184.0
277.4295959472656	220.0
282.90966796875	148.0
283.06866455078125	492.0
284.07659912109375	620.0
285.0671691894531	152.0
285.95074462890625	152.0
286.0815124511719	180.0
287.0806884765625	240.0
293.9043273925781	200.0
301.080810546875	2432.0
302.0838928222656	536.0
303.0734558105469	1508.0
304.0709533691406	260.0
316.54364013671875	140.0
317.0776062011719	4852.0
317.1676025390625	164.0
318.0790710449219	436.0
327.0938720703125	168.0
329.2463684082031	140.0
331.0946960449219	256.0
334.96978759765625	140.0
335.7497863769531	148.0
341.1190185546875	148.0
342.5303955078125	152.0
343.07208251953125	160.0
343.12969970703125	4628.0
344.1315612792969	812.0
345.108154296875	172.0
345.1397705078125	132.0
352.9043273925781	176.0
359.1224060058594	684.0
359.3558654785156	180.0
364.1710205078125	140.0
375.0413513183594	172.0
375.118896484375	3892.0
376.1189270019531	1928.0
376.9040222167969	128.0
377.1209716796875	140.0
416.8559875488281	168.0
416.88848876953125	156.0
417.1650085449219	7248.0
418.16864013671875	2000.0
418.2509460449219	168.0
418.6540222167969	140.0
419.173583984375	720.0
421.6484375	144.0
457.2469177246094	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079094
PEPMASS=360.178833
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_G2_H11_BD3_01_15725.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ENROFLOXACIN [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCN1CCN(CC1)c2cc3n(cc(C(=O)O)c(=O)c3cc2F)C4CC4
INCHI=InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)
INCHIAUX=SPFYMRJSYKOXGV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079094
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079094
SCANS=1031
45.14988327026367	208.0
45.18911361694336	184.0
46.520355224609375	104.0
46.65515899658203	196.0
46.79393005371094	180.0
47.027034759521484	140.0
47.19232940673828	140.0
47.76007843017578	140.0
48.06730270385742	212.0
49.271156311035156	132.0
49.55512619018555	156.0
49.849788665771484	200.0
50.49829864501953	184.0
51.14103317260742	168.0
51.58464431762695	148.0
52.218414306640625	192.0
52.497806549072266	152.0
53.4073371887207	160.0
53.526676177978516	140.0
53.851890563964844	188.0
53.88840866088867	188.0
54.18019485473633	100.0
54.299747467041016	168.0
54.948455810546875	180.0
55.48383331298828	208.0
55.93989944458008	160.0
56.61477279663086	160.0
56.703163146972656	212.0
56.72414779663086	272.0
56.75563430786133	156.0
56.93120193481445	176.0
57.04238510131836	192.0
57.33437728881836	200.0
57.435394287109375	180.0
57.54304122924805	156.0
57.91151428222656	156.0
58.1283073425293	148.0
58.30294418334961	176.0
58.3546257019043	168.0
58.39112091064453	164.0
58.48393249511719	152.0
58.829952239990234	152.0
59.65258026123047	180.0
59.78639221191406	204.0
59.90802764892578	160.0
60.105377197265625	176.0
60.15217971801758	132.0
60.90576934814453	148.0
61.0161018371582	140.0
61.07830810546875	144.0
61.63718032836914	176.0
62.1390380859375	160.0
62.327449798583984	188.0
62.3824577331543	140.0
63.199405670166016	188.0
63.583709716796875	116.0
63.655914306640625	196.0
63.983455657958984	148.0
65.0353012084961	144.0
65.26663208007812	184.0
65.51609802246094	152.0
65.64826965332031	156.0
66.0358657836914	168.0
66.08763122558594	220.0
66.71202850341797	148.0
66.96036529541016	212.0
67.20549774169922	160.0
67.6647720336914	184.0
69.4461441040039	160.0
69.58719635009766	164.0
69.69682312011719	172.0
70.1395034790039	144.0
70.44988250732422	156.0
71.10457611083984	224.0
71.24226379394531	164.0
71.4911117553711	200.0
71.55170440673828	144.0
71.75724792480469	168.0
72.32823944091797	160.0
72.52302551269531	144.0
72.76853942871094	148.0
72.83692932128906	140.0
72.87430572509766	156.0
72.88789367675781	164.0
73.02192687988281	148.0
73.16513061523438	144.0
73.26689910888672	148.0
73.90242767333984	196.0
74.12673950195312	180.0
74.68985748291016	144.0
75.0365219116211	208.0
75.18260955810547	164.0
75.63543701171875	140.0
76.58522033691406	140.0
77.42880249023438	252.0
77.87779235839844	144.0
77.94805908203125	192.0
78.06759643554688	140.0
79.33001708984375	192.0
79.85916137695312	144.0
80.20636749267578	176.0
80.59184265136719	140.0
80.98181915283203	168.0
81.10903930664062	208.0
81.4643325805664	184.0
81.5891342163086	188.0
81.69803619384766	228.0
82.24944305419922	168.0
82.82625579833984	156.0
83.24883270263672	152.0
83.43416595458984	184.0
83.61424255371094	168.0
84.26705169677734	172.0
84.45716857910156	152.0
84.61051940917969	160.0
85.09305572509766	148.0
85.58580780029297	176.0
85.60790252685547	156.0
85.92862701416016	144.0
86.05597686767578	144.0
86.17233276367188	148.0
86.70154571533203	148.0
87.27886199951172	168.0
87.70704650878906	248.0
87.74805450439453	252.0
87.78534698486328	168.0
87.83757019042969	180.0
88.08583068847656	172.0
88.16056823730469	184.0
88.17552185058594	144.0
88.56281280517578	208.0
88.79521942138672	180.0
89.05985260009766	148.0
89.0823974609375	160.0
89.13876342773438	140.0
89.29291534423828	224.0
89.49803161621094	216.0
89.71746063232422	180.0
90.15636444091797	156.0
90.27167510986328	208.0
90.49495697021484	152.0
90.8607406616211	160.0
91.76793670654297	144.0
91.94152069091797	160.0
92.45177459716797	164.0
92.82340240478516	160.0
93.07861328125	140.0
93.18041229248047	148.0
93.25919342041016	180.0
93.33521270751953	148.0
93.43803405761719	144.0
93.55603790283203	188.0
93.64399719238281	172.0
93.73233032226562	212.0
94.0238037109375	152.0
94.2593994140625	156.0
94.55140686035156	140.0
94.62496185302734	164.0
94.67811584472656	160.0
95.97920989990234	168.0
96.10014343261719	168.0
96.18795776367188	196.0
96.43211364746094	160.0
96.49575805664062	156.0
96.72550201416016	220.0
96.7509536743164	148.0
96.79598236083984	196.0
96.90567016601562	188.0
97.30184936523438	152.0
97.37646484375	176.0
98.09683990478516	500.0
98.3155517578125	140.0
99.09053039550781	248.0
99.52899932861328	184.0
99.56474304199219	156.0
100.37666320800781	140.0
100.4345703125	108.0
100.91777038574219	156.0
102.27389526367188	188.0
102.43497467041016	144.0
103.2564697265625	144.0
103.32119750976562	196.0
103.6390609741211	176.0
103.89046478271484	172.0
105.18467712402344	144.0
105.61991119384766	204.0
106.82811737060547	236.0
107.07923126220703	180.0
107.2646713256836	156.0
107.64756774902344	136.0
107.92737579345703	168.0
108.25224304199219	180.0
108.38331604003906	172.0
108.58242797851562	280.0
108.76017761230469	156.0
109.04307556152344	168.0
109.17569732666016	380.0
110.08304595947266	168.0
111.09101867675781	176.0
111.29039001464844	164.0
112.09912872314453	168.0
112.5504379272461	184.0
112.73751831054688	144.0
113.10454559326172	172.0
113.18597412109375	140.0
113.4508056640625	192.0
113.56269073486328	196.0
113.8620376586914	184.0
113.9410400390625	160.0
114.31312561035156	160.0
114.54945373535156	140.0
114.88626861572266	140.0
114.99722290039062	160.0
115.2171630859375	168.0
115.67694091796875	152.0
115.88064575195312	164.0
116.04623413085938	216.0
116.30928039550781	196.0
116.90245819091797	140.0
117.03448486328125	144.0
117.06044006347656	124.0
117.47988891601562	168.0
117.62662506103516	176.0
117.67195892333984	168.0
117.82746124267578	144.0
117.90092468261719	148.0
118.36385345458984	152.0
118.45048522949219	140.0
119.25312805175781	144.0
119.31851959228516	168.0
120.01741027832031	184.0
120.27053833007812	120.0
121.01373291015625	152.0
121.04438781738281	168.0
122.17691802978516	172.0
122.24512481689453	144.0
122.81793975830078	148.0
122.99446105957031	160.0
123.04522705078125	144.0
123.10043334960938	232.0
123.68630981445312	220.0
125.17823791503906	208.0
125.3720474243164	148.0
125.58830261230469	144.0
125.76651763916016	156.0
126.44849395751953	152.0
126.61416625976562	160.0
126.67911529541016	180.0
126.85839080810547	160.0
127.10958099365234	144.0
127.34081268310547	160.0
127.7004165649414	168.0
129.0758819580078	152.0
129.3203887939453	160.0
129.34075927734375	152.0
129.3937530517578	156.0
130.06605529785156	276.0
130.35858154296875	168.0
130.6585693359375	156.0
130.77220153808594	140.0
131.0617218017578	340.0
131.6918182373047	172.0
131.76490783691406	156.0
131.8502655029297	136.0
131.90431213378906	200.0
131.9340362548828	180.0
132.0668182373047	156.0
132.462646484375	172.0
132.8087615966797	188.0
133.70249938964844	168.0
133.8440704345703	148.0
133.89126586914062	192.0
133.9670867919922	196.0
134.0416259765625	344.0
134.24847412109375	160.0
134.73318481445312	216.0
134.96661376953125	208.0
134.99539184570312	148.0
135.0481719970703	1672.0
135.18179321289062	168.0
135.3804473876953	124.0
135.4615478515625	140.0
135.61480712890625	152.0
135.842041015625	156.0
136.0562744140625	1352.0
136.90188598632812	196.0
137.0507049560547	172.0
137.0640411376953	320.0
137.26307678222656	152.0
137.4590301513672	200.0
137.5025177001953	200.0
138.1873321533203	200.0
138.26551818847656	132.0
138.5298309326172	160.0
140.04837036132812	360.0
140.31666564941406	240.0
140.54937744140625	168.0
140.7216796875	172.0
140.78306579589844	144.0
141.04295349121094	152.0
141.67239379882812	332.0
141.79220581054688	236.0
141.99713134765625	200.0
142.06460571289062	312.0
142.11099243164062	156.0
142.84507751464844	176.0
142.98545837402344	144.0
143.06639099121094	188.0
143.8960418701172	172.0
144.10382080078125	216.0
144.63232421875	164.0
144.81668090820312	228.0
145.05038452148438	164.0
145.06947326660156	104.0
145.26971435546875	156.0
145.80755615234375	160.0
145.98118591308594	176.0
146.05760192871094	200.0
146.72222900390625	164.0
147.06716918945312	216.0
147.21685791015625	192.0
147.26998901367188	176.0
147.33279418945312	204.0
147.3545379638672	200.0
147.82362365722656	140.0
147.9276885986328	148.0
148.05709838867188	560.0
148.65478515625	208.0
148.83657836914062	184.0
149.0474395751953	328.0
150.0716094970703	296.0
150.21292114257812	160.0
150.74656677246094	156.0
150.85655212402344	192.0
151.04202270507812	128.0
151.06884765625	300.0
151.20632934570312	172.0
152.0462188720703	280.0
152.07388305664062	160.0
152.14266967773438	228.0
152.83082580566406	152.0
153.31593322753906	168.0
153.52053833007812	168.0
153.8778839111328	136.0
153.90301513671875	316.0
154.0652618408203	352.0
154.471435546875	168.0
154.63462829589844	192.0
154.87242126464844	140.0
155.0614471435547	328.0
155.08798217773438	424.0
155.1549072265625	140.0
155.17227172851562	180.0
155.27145385742188	188.0
155.8548126220703	172.0
155.90451049804688	236.0
156.04379272460938	272.0
156.0790557861328	836.0
156.1133270263672	156.0
156.4716339111328	148.0
156.733154296875	168.0
156.8079071044922	216.0
157.07713317871094	156.0
157.9129638671875	216.0
157.99398803710938	172.0
158.04420471191406	172.0
158.2106475830078	124.0
158.83567810058594	228.0
158.98118591308594	184.0
159.05442810058594	132.0
159.13681030273438	156.0
159.68211364746094	224.0
160.06495666503906	560.0
160.49046325683594	164.0
160.67709350585938	164.0
160.73260498046875	164.0
160.8966522216797	144.0
161.00413513183594	168.0
161.05075073242188	396.0
161.391845703125	160.0
161.47024536132812	160.0
161.61949157714844	228.0
162.03453063964844	580.0
162.07272338867188	264.0
162.85153198242188	160.0
163.0404510498047	248.0
163.0675506591797	1596.0
163.73977661132812	164.0
164.0539093017578	180.0
164.09078979492188	304.0
164.52194213867188	172.0
165.0238037109375	156.0
165.0814971923828	176.0
165.42864990234375	132.0
165.5565643310547	112.0
165.60227966308594	128.0
165.65992736816406	156.0
166.06333923339844	108.0
166.19317626953125	144.0
166.6553497314453	140.0
166.7498779296875	152.0
166.8378143310547	224.0
166.86610412597656	176.0
166.98695373535156	144.0
167.04653930664062	192.0
167.13873291015625	180.0
167.24356079101562	180.0
167.416748046875	156.0
167.4811248779297	144.0
167.61767578125	192.0
168.0772247314453	236.0
168.22633361816406	180.0
168.69906616210938	188.0
169.05453491210938	156.0
169.07611083984375	888.0
169.149169921875	204.0
169.3289337158203	204.0
169.4212646484375	108.0
169.6465301513672	192.0
169.7683868408203	212.0
170.07606506347656	236.0
170.1316375732422	156.0
170.2744598388672	180.0
170.48228454589844	164.0
170.91653442382812	160.0
171.0414581298828	168.0
171.06529235839844	204.0
171.09556579589844	224.0
171.33572387695312	156.0
171.68238830566406	164.0
171.9798126220703	176.0
172.05686950683594	292.0
172.0915985107422	188.0
173.04922485351562	124.0
173.1092071533203	232.0
173.685791015625	144.0
173.71987915039062	184.0
174.0609893798828	856.0
174.11181640625	100.0
174.1871337890625	144.0
174.505126953125	172.0
174.69447326660156	144.0
174.74972534179688	236.0
174.88656616210938	208.0
175.0691680908203	820.0
175.18199157714844	184.0
175.34669494628906	104.0
175.54891967773438	136.0
175.68783569335938	144.0
175.72982788085938	172.0
175.886474609375	200.0
176.0530242919922	732.0
176.07455444335938	2180.0
176.1267852783203	140.0
176.4508514404297	144.0
176.49050903320312	148.0
176.85028076171875	144.0
177.05789184570312	468.0
177.07986450195312	640.0
177.2879638671875	108.0
177.77520751953125	144.0
178.02865600585938	360.0
178.05255126953125	460.0
178.39405822753906	164.0
178.7232208251953	188.0
179.06231689453125	516.0
179.45362854003906	152.0
179.55496215820312	152.0
179.76304626464844	148.0
179.86988830566406	132.0
180.02198791503906	140.0
180.04067993164062	164.0
180.0593719482422	140.0
180.56959533691406	136.0
181.0799560546875	116.0
181.09976196289062	208.0
181.11851501464844	216.0
181.57415771484375	200.0
181.8236541748047	204.0
181.92564392089844	148.0
182.08534240722656	304.0
182.25599670410156	200.0
183.0597686767578	112.0
183.0931854248047	1048.0
183.18685913085938	164.0
183.72914123535156	124.0
183.76107788085938	224.0
184.03964233398438	188.0
184.06655883789062	676.0
184.2425079345703	184.0
184.36001586914062	152.0
184.36990356445312	144.0
184.53892517089844	144.0
184.63626098632812	160.0
185.0694580078125	520.0
185.11529541015625	156.0
185.49456787109375	180.0
185.7166290283203	116.0
185.94480895996094	184.0
186.03939819335938	184.0
186.06796264648438	172.0
186.24075317382812	168.0
186.38201904296875	216.0
186.87686157226562	152.0
187.0347137451172	236.0
187.06588745117188	324.0
187.12188720703125	172.0
187.17160034179688	168.0
187.36024475097656	236.0
187.4050750732422	192.0
187.52224731445312	248.0
187.79489135742188	140.0
188.0507049560547	736.0
188.0813751220703	732.0
188.14962768554688	152.0
188.3762969970703	176.0
188.40208435058594	172.0
188.6145782470703	176.0
188.74798583984375	148.0
188.8626251220703	104.0
188.99688720703125	160.0
189.04727172851562	2664.0
189.08213806152344	2472.0
189.71170043945312	140.0
190.0540008544922	1124.0
190.08526611328125	640.0
190.32626342773438	172.0
190.7905731201172	200.0
191.01332092285156	180.0
191.06234741210938	1332.0
191.0973358154297	284.0
191.39585876464844	144.0
191.642578125	168.0
191.8339080810547	144.0
192.0103759765625	188.0
192.06573486328125	112.0
192.6838836669922	156.0
192.94644165039062	180.0
193.0624237060547	232.0
193.28663635253906	148.0
193.34751892089844	216.0
193.4443817138672	156.0
193.6391143798828	220.0
193.68252563476562	168.0
193.94297790527344	192.0
194.1009979248047	160.0
194.15090942382812	180.0
194.4838409423828	148.0
195.031982421875	128.0
195.0598907470703	144.0
195.09361267089844	132.0
195.9103240966797	216.0
196.05799865722656	168.0
196.1109619140625	180.0
196.13882446289062	144.0
196.44834899902344	152.0
197.07090759277344	444.0
197.10794067382812	408.0
197.16033935546875	144.0
197.3196563720703	220.0
197.45668029785156	144.0
197.7364501953125	184.0
197.91000366210938	152.0
198.0749053955078	424.0
198.46478271484375	144.0
198.52928161621094	184.0
198.69757080078125	160.0
198.82383728027344	224.0
199.05459594726562	152.0
199.0821990966797	312.0
199.2646942138672	208.0
199.4810791015625	148.0
199.67227172851562	152.0
200.0507354736328	244.0
200.0721893310547	288.0
200.20416259765625	176.0
200.40135192871094	172.0
200.45205688476562	148.0
200.4797821044922	172.0
200.5256805419922	96.0
200.80726623535156	140.0
201.0574188232422	472.0
201.07937622070312	808.0
201.13587951660156	172.0
201.75885009765625	176.0
202.06430053710938	2392.0
202.2199249267578	144.0
202.98765563964844	160.0
203.06253051757812	15712.0
203.09620666503906	820.0
203.1423797607422	192.0
203.228759765625	196.0
203.31259155273438	168.0
203.4959259033203	144.0
203.7860565185547	168.0
203.83355712890625	200.0
203.89561462402344	228.0
203.99472045898438	136.0
204.07020568847656	22176.0
204.13888549804688	136.0
204.230224609375	128.0
204.34104919433594	196.0
204.8396759033203	180.0
204.93301391601562	128.0
204.98350524902344	192.0
205.04324340820312	272.0
205.0756072998047	4140.0
205.1582794189453	144.0
205.19691467285156	144.0
205.2881622314453	144.0
205.5363311767578	148.0
206.08111572265625	492.0
206.11929321289062	148.0
206.26171875	280.0
206.33604431152344	156.0
206.55624389648438	152.0
206.6826171875	140.0
206.8526153564453	144.0
207.0480499267578	164.0
207.08261108398438	160.0
207.11358642578125	140.0
207.15451049804688	184.0
207.36941528320312	228.0
207.49267578125	192.0
207.62744140625	148.0
207.7113494873047	124.0
207.83396911621094	184.0
208.0779266357422	236.0
208.37173461914062	160.0
208.52029418945312	160.0
208.59971618652344	108.0
208.79470825195312	152.0
208.97750854492188	148.0
209.06549072265625	620.0
209.85308837890625	148.0
209.87452697753906	188.0
210.00015258789062	228.0
210.0426788330078	356.0
210.07781982421875	268.0
210.1144256591797	124.0
210.41835021972656	104.0
210.62359619140625	156.0
211.08013916015625	160.0
211.11521911621094	160.0
211.23928833007812	200.0
211.44183349609375	268.0
211.806640625	144.0
212.01687622070312	140.0
212.07711791992188	300.0
212.09556579589844	168.0
212.19496154785156	168.0
212.37765502929688	144.0
212.9425811767578	168.0
213.05477905273438	104.0
213.10047912597656	276.0
213.1287841796875	184.0
214.11349487304688	176.0
214.24566650390625	108.0
214.85604858398438	200.0
215.0279541015625	352.0
215.05908203125	1764.0
215.10098266601562	272.0
215.17999267578125	152.0
215.30262756347656	168.0
215.4691162109375	216.0
215.67076110839844	180.0
215.9192657470703	236.0
216.03500366210938	308.0
216.0674591064453	1552.0
216.22061157226562	192.0
216.396240234375	144.0
216.83261108398438	144.0
216.89224243164062	152.0
216.93020629882812	256.0
216.99098205566406	140.0
217.04042053222656	1800.0
217.07940673828125	4524.0
217.11294555664062	2308.0
217.1772003173828	120.0
217.97718811035156	148.0
218.04727172851562	320.0
218.0865478515625	748.0
218.3623046875	168.0
218.4358367919922	140.0
218.83233642578125	180.0
219.02748107910156	152.0
219.05763244628906	132.0
219.09310913085938	660.0
219.177734375	164.0
219.3387908935547	156.0
219.49668884277344	96.0
219.68618774414062	164.0
219.83848571777344	104.0
220.099365234375	200.0
220.4871368408203	128.0
220.59323120117188	148.0
220.7649688720703	136.0
221.0438995361328	208.0
221.07052612304688	320.0
221.10972595214844	148.0
221.23036193847656	144.0
221.5552520751953	96.0
221.75494384765625	120.0
222.1454315185547	156.0
222.86915588378906	176.0
223.08412170410156	120.0
223.28302001953125	136.0
223.42938232421875	240.0
224.05931091308594	528.0
224.09144592285156	332.0
224.12806701660156	292.0
224.3287353515625	144.0
224.55831909179688	140.0
224.76715087890625	164.0
225.06793212890625	392.0
225.1028289794922	2164.0
225.16119384765625	144.0
225.31651306152344	156.0
225.48086547851562	176.0
225.52569580078125	176.0
225.9503173828125	220.0
226.01776123046875	96.0
226.0736846923828	224.0
226.1044158935547	492.0
226.26754760742188	160.0
226.3334197998047	188.0
226.61196899414062	212.0
226.9967041015625	156.0
227.0990753173828	1000.0
227.5001678466797	124.0
227.8570556640625	252.0
227.9321746826172	248.0
228.08201599121094	392.0
228.62982177734375	168.0
228.83216857910156	144.0
229.00816345214844	192.0
229.04019165039062	320.0
229.07713317871094	3660.0
229.44911193847656	144.0
229.64511108398438	156.0
229.80801391601562	140.0
230.05455017089844	952.0
230.08279418945312	2176.0
230.14907836914062	156.0
230.25709533691406	228.0
230.53103637695312	168.0
230.900146484375	124.0
231.054443359375	492.0
231.093017578125	9004.0
231.64004516601562	160.0
231.75213623046875	156.0
231.78546142578125	172.0
231.81878662109375	168.0
232.03399658203125	168.0
232.0937042236328	2160.0
232.13160705566406	328.0
232.16676330566406	112.0
232.24020385742188	144.0
232.60430908203125	144.0
232.8176727294922	132.0
233.040283203125	164.0
233.1065673828125	344.0
233.4241943359375	120.0
233.59786987304688	128.0
233.81094360351562	144.0
233.84442138671875	184.0
234.014892578125	140.0
234.05752563476562	200.0
234.1854248046875	188.0
234.40171813964844	148.0
235.0504913330078	204.0
235.09393310546875	140.0
235.7107696533203	148.0
236.0639190673828	144.0
236.12115478515625	344.0
236.1876983642578	144.0
237.0633087158203	356.0
237.10862731933594	176.0
237.12991333007812	120.0
237.36264038085938	148.0
237.93746948242188	224.0
238.0955047607422	536.0
238.1353302001953	276.0
238.60414123535156	148.0
238.668701171875	160.0
238.81219482421875	236.0
238.9270477294922	160.0
239.08004760742188	224.0
239.1170196533203	284.0
239.1547088623047	444.0
239.2286376953125	208.0
239.99893188476562	140.0
240.02967834472656	160.0
240.0858154296875	280.0
240.11207580566406	652.0
240.39161682128906	120.0
241.07501220703125	244.0
241.119140625	284.0
241.4718475341797	156.0
241.49658203125	212.0
241.54486083984375	216.0
241.703857421875	172.0
241.8307342529297	164.0
242.08631896972656	144.0
242.12796020507812	144.0
242.95245361328125	156.0
243.05674743652344	1068.0
243.09080505371094	904.0
243.55776977539062	256.0
243.9839324951172	112.0
244.06272888183594	628.0
244.09642028808594	372.0
244.41807556152344	164.0
244.7426300048828	180.0
244.77734375	188.0
244.87232971191406	208.0
245.02328491210938	140.0
245.06671142578125	336.0
245.10980224609375	142280.0
245.20248413085938	124.0
245.41075134277344	184.0
245.52590942382812	240.0
245.5796356201172	180.0
245.62106323242188	156.0
245.6629180908203	124.0
245.68392944335938	220.0
245.76560974121094	192.0
245.94125366210938	164.0
246.11212158203125	15876.0
246.63626098632812	136.0
247.04507446289062	124.0
247.1147918701172	2176.0
247.29222106933594	100.0
247.5341339111328	144.0
247.59376525878906	268.0
247.66873168945312	124.0
247.7018280029297	96.0
247.77513122558594	108.0
247.8043670654297	228.0
247.84312438964844	112.0
247.90187072753906	112.0
247.94651794433594	156.0
248.035400390625	152.0
248.06829833984375	256.0
248.09719848632812	140.0
248.1175079345703	156.0
248.53948974609375	196.0
248.68858337402344	132.0
248.716064453125	228.0
248.8622589111328	140.0
248.97503662109375	116.0
249.05831909179688	156.0
249.4269256591797	116.0
249.99205017089844	172.0
250.0675811767578	152.0
250.12109375	164.0
250.76776123046875	128.0
250.82981872558594	224.0
251.085205078125	248.0
251.1181640625	152.0
251.14512634277344	216.0
251.4827423095703	144.0
251.583740234375	172.0
251.70687866210938	212.0
251.81109619140625	188.0
252.08062744140625	128.0
252.11392211914062	348.0
252.20730590820312	184.0
252.40835571289062	172.0
253.06649780273438	172.0
253.1183319091797	428.0
253.12515258789062	188.0
253.3103485107422	180.0
253.8206024169922	152.0
254.09019470214844	176.0
254.13319396972656	360.0
254.21290588378906	108.0
254.29962158203125	224.0
254.70286560058594	152.0
254.75686645507812	148.0
255.09237670898438	128.0
255.13485717773438	248.0
255.26856994628906	200.0
255.37033081054688	220.0
256.12371826171875	172.0
256.2327575683594	268.0
256.3795471191406	160.0
256.4847412109375	208.0
256.63458251953125	152.0
257.05755615234375	200.0
257.1087951660156	7064.0
257.2598876953125	160.0
257.7959899902344	236.0
257.822021484375	160.0
258.0675048828125	1700.0
258.1104736328125	1320.0
258.7496337890625	176.0
259.0836181640625	376.0
259.1244201660156	1304.0
259.2033386230469	188.0
259.8649597167969	204.0
260.12176513671875	1540.0
260.1518859863281	284.0
261.0234375	160.0
261.06097412109375	136.0
261.1265869140625	592.0
261.8611755371094	160.0
262.0748291015625	272.0
262.4766845703125	144.0
262.83001708984375	176.0
263.2479248046875	148.0
263.4739990234375	148.0
263.5224609375	192.0
263.6937255859375	156.0
263.8133239746094	140.0
263.86181640625	180.0
264.08843994140625	256.0
264.1819763183594	236.0
264.2320861816406	180.0
264.864990234375	292.0
265.0912780761719	156.0
265.11334228515625	276.0
265.14361572265625	204.0
265.16748046875	156.0
265.25067138671875	144.0
265.3121643066406	184.0
266.0944519042969	300.0
266.12969970703125	660.0
266.1694641113281	312.0
266.2271728515625	152.0
266.8640441894531	156.0
267.1363830566406	700.0
267.2575988769531	172.0
267.2901306152344	156.0
267.5505065917969	140.0
267.5960998535156	148.0
267.7254638671875	184.0
268.14569091796875	692.0
268.5280456542969	144.0
269.0225830078125	172.0
269.0788269042969	188.0
269.10540771484375	168.0
269.1431579589844	400.0
269.74920654296875	140.0
270.1062316894531	184.0
270.1343688964844	120.0
270.8781433105469	224.0
271.0800476074219	288.0
271.1265563964844	264.0
271.228759765625	164.0
271.32708740234375	232.0
271.5702209472656	196.0
272.0832214355469	444.0
272.12762451171875	380.0
272.1828918457031	148.0
272.4987487792969	140.0
272.8438415527344	320.0
272.8668518066406	140.0
273.08184814453125	208.0
273.1350402832031	696.0
273.8077697753906	156.0
273.9166259765625	144.0
274.05999755859375	168.0
274.1351013183594	728.0
274.1766662597656	172.0
274.5042419433594	148.0
275.08978271484375	160.0
275.1407470703125	956.0
275.3612976074219	140.0
276.1493225097656	324.0
276.3364562988281	156.0
276.5846252441406	164.0
277.1314392089844	168.0
277.17742919921875	184.0
277.30670166015625	160.0
277.5884704589844	172.0
277.8650207519531	168.0
278.1759948730469	216.0
278.60076904296875	216.0
278.6528625488281	136.0
278.92974853515625	156.0
279.1358947753906	236.0
279.7813415527344	176.0
280.1055603027344	120.0
280.1518859863281	196.0
280.2642822265625	152.0
280.3884582519531	156.0
280.6475830078125	144.0
281.114501953125	288.0
281.74560546875	172.0
281.8424987792969	164.0
281.8692321777344	164.0
282.13946533203125	308.0
282.273681640625	168.0
283.0299072265625	156.0
283.1169738769531	164.0
283.5914001464844	224.0
283.86761474609375	148.0
284.1184997558594	120.0
284.4547424316406	140.0
284.7322998046875	176.0
284.9483947753906	172.0
285.04583740234375	192.0
285.12725830078125	4512.0
285.8606262207031	160.0
285.93365478515625	176.0
286.0467529296875	112.0
286.09893798828125	12412.0
286.17333984375	164.0
286.7328796386719	120.0
287.1021423339844	2240.0
287.1398620605469	900.0
288.0037841796875	144.0
288.1016845703125	788.0
288.15087890625	4416.0
288.35516357421875	140.0
289.0949401855469	380.0
289.15423583984375	1332.0
290.0746154785156	152.0
290.15252685546875	136.0
291.77874755859375	168.0
292.1086120605469	144.0
292.670166015625	144.0
292.8949279785156	144.0
293.2956848144531	136.0
294.1198425292969	304.0
294.1599426269531	464.0
294.2965393066406	140.0
294.5185241699219	168.0
294.8157653808594	160.0
295.1327209472656	116.0
295.1435241699219	144.0
295.162841796875	428.0
295.5201416015625	160.0
296.1740417480469	848.0
296.3658447265625	144.0
296.4427490234375	144.0
297.1801452636719	144.0
297.5113525390625	144.0
297.8993835449219	148.0
298.13629150390625	112.0
298.18292236328125	240.0
298.3186340332031	148.0
298.5180358886719	140.0
299.13848876953125	136.0
299.7021484375	204.0
299.8572082519531	168.0
300.1148376464844	1132.0
300.1488342285156	556.0
300.3207092285156	172.0
300.8954772949219	180.0
300.9412841796875	112.0
300.9783630371094	160.0
301.1194763183594	800.0
301.9632263183594	204.0
302.127685546875	200.0
302.1707763671875	148.0
302.38531494140625	168.0
302.478759765625	156.0
302.6726379394531	208.0
303.12615966796875	232.0
303.802490234375	180.0
303.8649597167969	140.0
304.1097717285156	232.0
304.2715759277344	120.0
304.46197509765625	188.0
304.73638916015625	180.0
305.473388671875	212.0
305.6508483886719	156.0
305.6891174316406	164.0
306.7200012207031	228.0
307.0616760253906	156.0
307.5437927246094	136.0
307.8259582519531	168.0
307.9079895019531	116.0
308.31500244140625	200.0
308.3394775390625	144.0
308.57928466796875	172.0
308.8196105957031	96.0
310.0543212890625	160.0
310.2506103515625	160.0
310.2856750488281	148.0
310.5627136230469	156.0
310.6609191894531	176.0
311.166259765625	144.0
311.6790771484375	184.0
312.0516357421875	144.0
312.1138916015625	288.0
312.15130615234375	292.0
313.498291015625	148.0
314.0033264160156	144.0
314.0729675292969	188.0
314.1312255859375	1152.0
314.16717529296875	9032.0
314.2698059082031	136.0
314.4753723144531	152.0
314.77880859375	144.0
314.8258056640625	192.0
314.90594482421875	144.0
315.0129699707031	156.0
315.11767578125	196.0
315.1695556640625	2268.0
315.33343505859375	172.0
315.3728942871094	100.0
315.5291442871094	220.0
315.58428955078125	228.0
315.6352844238281	252.0
315.71295166015625	116.0
315.93603515625	188.0
315.96502685546875	196.0
316.0224609375	324.0
316.0787048339844	340.0
316.128173828125	448.0
316.1833801269531	161656.0
316.29156494140625	276.0
316.3290100097656	164.0
316.4216613769531	196.0
316.50146484375	116.0
316.5301208496094	140.0
316.61517333984375	120.0
316.652099609375	172.0
316.7643737792969	472.0
316.801025390625	180.0
316.8529968261719	132.0
316.9285888671875	120.0
317.0081787109375	204.0
317.1358947753906	208.0
317.1854553222656	35036.0
317.2799377441406	196.0
317.3117370605469	216.0
317.3565979003906	152.0
317.3819885253906	216.0
317.5079345703125	100.0
317.58642578125	220.0
317.78155517578125	188.0
317.9093933105469	120.0
318.1068420410156	308.0
318.1342468261719	124.0
318.1875915527344	3652.0
318.2651672363281	128.0
318.5689392089844	100.0
318.6083679199219	104.0
318.89825439453125	144.0
318.95892333984375	128.0
319.0693359375	176.0
319.1365051269531	276.0
319.1946105957031	444.0
319.2283020019531	148.0
319.2620544433594	284.0
319.4197082519531	132.0
319.4637145996094	200.0
319.5741271972656	112.0
319.7177734375	240.0
320.0880432128906	156.0
320.1492614746094	136.0
320.2532043457031	184.0
320.4112548828125	104.0
320.52862548828125	144.0
321.102783203125	200.0
321.2107238769531	184.0
321.3810119628906	248.0
321.4923095703125	108.0
321.5930480957031	116.0
321.837890625	140.0
322.1558532714844	392.0
323.0494384765625	176.0
323.2295837402344	168.0
323.3266296386719	152.0
323.4716796875	168.0
324.0124206542969	184.0
324.0589904785156	144.0
324.5239562988281	180.0
324.9122619628906	176.0
324.97686767578125	208.0
325.0988464355469	140.0
325.6445617675781	196.0
326.140380859375	160.0
326.1835021972656	140.0
326.7818298339844	148.0
327.0354309082031	184.0
327.0956726074219	136.0
327.5345458984375	136.0
327.96734619140625	144.0
328.2681884765625	120.0
329.3435363769531	172.0
329.5350036621094	140.0
329.7951965332031	168.0
330.5799865722656	152.0
331.0795593261719	200.0
331.5162048339844	120.0
331.7752380371094	140.0
332.5224609375	212.0
332.6603698730469	188.0
333.2476806640625	116.0
333.4645690917969	168.0
333.7576904296875	128.0
334.747314453125	164.0
334.8717346191406	188.0
334.91845703125	148.0
335.29010009765625	156.0
335.7239074707031	152.0
335.8223876953125	244.0
335.87811279296875	156.0
336.1831970214844	156.0
337.15496826171875	160.0
337.2865295410156	140.0
337.5936584472656	168.0
338.0362854003906	168.0
338.0948181152344	160.0
338.7941589355469	180.0
338.9148864746094	156.0
339.8466796875	148.0
340.1520080566406	272.0
340.3808288574219	112.0
340.89019775390625	160.0
340.94769287109375	100.0
341.1331481933594	148.0
341.17779541015625	296.0
341.2886047363281	184.0
341.4759216308594	116.0
341.5215148925781	144.0
341.5971374511719	108.0
341.6216125488281	204.0
341.63092041015625	212.0
341.8233947753906	208.0
341.9314880371094	160.0
341.9794006347656	368.0
342.10546875	104.0
342.16253662109375	67644.0
342.40850830078125	140.0
342.49322509765625	148.0
342.53204345703125	104.0
342.6026306152344	172.0
342.7667236328125	280.0
342.84716796875	216.0
342.93524169921875	112.0
343.1649169921875	11944.0
343.3133544921875	204.0
343.3863830566406	148.0
343.9915771484375	104.0
344.1663513183594	1416.0
344.3816833496094	204.0
344.6462707519531	120.0
344.7530517578125	108.0
344.9767761230469	280.0
345.02587890625	120.0
345.1711730957031	240.0
345.4291687011719	156.0
345.50518798828125	132.0
345.5542297363281	136.0
345.6745300292969	108.0
345.8754577636719	160.0
346.4642639160156	144.0
346.8194885253906	152.0
346.91265869140625	148.0
346.98309326171875	140.0
347.02569580078125	164.0
347.4763488769531	208.0
348.2967529296875	156.0
348.5976867675781	180.0
348.6274108886719	184.0
350.15643310546875	204.0
350.40716552734375	140.0
350.74346923828125	164.0
350.8196716308594	180.0
351.27459716796875	140.0
351.4051818847656	148.0
353.1197509765625	176.0
353.6722412109375	188.0
354.1265563964844	152.0
354.3482360839844	132.0
354.6354064941406	132.0
354.6773376464844	180.0
355.4548645019531	228.0
355.96038818359375	156.0
356.2646179199219	184.0
356.2958984375	188.0
356.6033630371094	156.0
356.7396545410156	184.0
356.84771728515625	128.0
356.8809814453125	220.0
356.9411315917969	144.0
356.9743957519531	172.0
357.0198669433594	128.0
357.0802917480469	280.0
357.1329345703125	184.0
357.21746826171875	212.0
357.2913513183594	140.0
357.3915710449219	160.0
357.52044677734375	108.0
357.75946044921875	96.0
357.79541015625	120.0
357.923828125	204.0
358.0154724121094	168.0
358.1514587402344	288.0
358.22357177734375	208.0
358.3766784667969	112.0
358.48773193359375	192.0
358.5271911621094	108.0
358.57275390625	152.0
358.61151123046875	252.0
358.6629333496094	296.0
358.7138977050781	184.0
358.7495422363281	116.0
358.77911376953125	120.0
358.8309326171875	148.0
358.879150390625	324.0
358.9220886230469	248.0
358.95135498046875	132.0
359.0972595214844	152.0
359.1695861816406	112.0
359.2573547363281	260.0
359.3208312988281	308.0
359.3585510253906	220.0
359.4778747558594	184.0
359.5455322265625	144.0
359.5867004394531	164.0
359.66021728515625	144.0
359.6867370605469	292.0
359.7567443847656	164.0
359.7655944824219	300.0
359.8186950683594	192.0
359.83734130859375	108.0
359.8527526855469	212.0
359.9355773925781	228.0
359.9515380859375	376.0
359.9996032714844	564.0
360.0095520019531	556.0
360.02630615234375	272.0
360.0976867675781	660.0
360.1748962402344	238016.0
360.3125	272.0
360.356201171875	156.0
360.4250793457031	144.0
360.5241394042969	856.0
360.5810241699219	352.0
360.6335144042969	276.0
360.7520751953125	712.0
360.79779052734375	11728.0
360.84246826171875	368.0
360.8817138671875	572.0
360.9410705566406	352.0
360.9818420410156	192.0
361.04937744140625	216.0
361.1048583984375	336.0
361.1771545410156	127772.0
361.2972106933594	104.0
361.3585510253906	120.0
361.4217529296875	208.0
361.4554138183594	408.0
361.5484313964844	156.0
361.6973571777344	176.0
361.7424621582031	200.0
361.8022155761719	476.0
361.8930969238281	124.0
361.96722412109375	164.0
361.9994201660156	108.0
362.0343933105469	108.0
362.0754089355469	268.0
362.17822265625	14632.0
362.31427001953125	224.0
362.3966369628906	232.0
363.0039978027344	236.0
363.06634521484375	148.0
363.1197509765625	240.0
363.1784973144531	1148.0
363.22003173828125	204.0
363.26446533203125	328.0
363.3009948730469	240.0
363.32635498046875	312.0
363.38665771484375	348.0
363.45404052734375	316.0
363.53863525390625	384.0
363.6077880859375	236.0
363.67327880859375	204.0
363.8052673339844	124.0
363.9688720703125	120.0
363.99749755859375	136.0
364.2517395019531	136.0
364.302001953125	136.0
364.4423828125	152.0
364.54498291015625	128.0
364.57623291015625	176.0
364.71075439453125	140.0
364.9610900878906	144.0
365.1121520996094	128.0
365.20660400390625	96.0
365.4394836425781	124.0
365.6912841796875	100.0
371.3345947265625	184.0
371.41876220703125	140.0
371.68841552734375	120.0
372.1278076171875	124.0
373.5046691894531	148.0
375.0270080566406	108.0
375.30419921875	132.0
375.8302917480469	100.0
376.0076904296875	100.0
376.63299560546875	100.0
377.4074401855469	148.0
377.5273132324219	148.0
398.1781311035156	156.0
401.1929016113281	336.0
404.0395202636719	100.0
413.3844299316406	144.0
431.44842529296875	108.0
562.8229370117188	140.0
562.9296264648438	108.0
583.2036743164062	188.0
585.6527099609375	196.0
600.64501953125	144.0
644.4122314453125	156.0
707.1441040039062	144.0
710.201171875	140.0
747.8689575195312	168.0
905.1744384765625	156.0
1219.893798828125	140.0
1264.9515380859375	160.0
1294.2479248046875	224.0
1330.9134521484375	200.0
1547.7945556640625	168.0
1663.51171875	196.0
1695.599609375	164.0
1710.2847900390625	152.0
1726.3563232421875	208.0
1736.683837890625	160.0
1739.3223876953125	216.0
1748.7728271484375	204.0
1769.15673828125	144.0
1841.0889892578125	148.0
1847.4566650390625	168.0
1848.115478515625	140.0
1850.1181640625	188.0
1877.5537109375	168.0
1880.590576171875	164.0
1888.461669921875	152.0
1895.5518798828125	208.0
1918.078857421875	180.0
1921.9073486328125	172.0
1926.9539794921875	192.0
1927.1199951171875	224.0
1932.068359375	204.0
1952.259521484375	160.0
1974.6600341796875	140.0
1982.33544921875	164.0
1990.994873046875	124.0
1999.706298828125	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079095
PEPMASS=180.592117
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_G2_H11_BD3_01_15725.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ENROFLOXACIN [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCN1CCN(CC1)c2cc3n(cc(C(=O)O)c(=O)c3cc2F)C4CC4
INCHI=InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)
INCHIAUX=SPFYMRJSYKOXGV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079095
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079095
SCANS=1036
47.279876708984375	156.0
48.95170593261719	172.0
54.4509162902832	176.0
59.08363723754883	156.0
68.06483459472656	256.0
73.10044860839844	152.0
74.02738189697266	176.0
80.63652038574219	192.0
86.83502960205078	144.0
88.62837982177734	192.0
90.24898529052734	188.0
90.51388549804688	196.0
92.77355194091797	232.0
97.97502899169922	212.0
98.09661865234375	176.0
98.55843353271484	176.0
101.00776672363281	148.0
112.06229400634766	232.0
116.04756164550781	164.0
119.0838394165039	184.0
122.95914459228516	164.0
129.95716857910156	176.0
131.05990600585938	152.0
134.91806030273438	144.0
135.04959106445312	132.0
136.05514526367188	640.0
137.05563354492188	152.0
137.98922729492188	144.0
139.97894287109375	168.0
141.95712280273438	660.0
143.06163024902344	200.0
147.0768280029297	140.0
148.06146240234375	224.0
155.0579833984375	188.0
156.66339111328125	188.0
157.57192993164062	156.0
158.0390167236328	296.0
158.09657287597656	168.0
159.0514678955078	160.0
159.96900939941406	160.0
160.04708862304688	228.0
160.57872009277344	192.0
161.02670288085938	112.0
162.0299530029297	168.0
162.08538818359375	148.0
163.06886291503906	864.0
163.93785095214844	148.0
164.07040405273438	260.0
166.05209350585938	188.0
166.08543395996094	144.0
166.57337951660156	208.0
170.56805419921875	232.0
170.72665405273438	220.0
171.54620361328125	172.0
171.58494567871094	19192.0
171.62501525878906	164.0
172.086181640625	4440.0
172.18345642089844	168.0
172.25042724609375	100.0
172.3860321044922	96.0
172.5863800048828	484.0
172.60940551757812	252.0
173.09088134765625	184.0
174.05706787109375	156.0
175.02748107910156	132.0
175.06884765625	208.0
175.74566650390625	152.0
176.0360107421875	176.0
176.07034301757812	236.0
177.04090881347656	144.0
178.9740447998047	144.0
179.06991577148438	192.0
179.13650512695312	260.0
179.38165283203125	216.0
179.59408569335938	96.0
179.8511199951172	176.0
179.99261474609375	160.0
180.0986785888672	240.0
180.245361328125	140.0
180.3693084716797	208.0
180.49227905273438	172.0
180.5387420654297	160.0
180.5904541015625	40108.0
180.66404724121094	200.0
180.7159881591797	192.0
180.78164672851562	108.0
180.8468780517578	116.0
180.88336181640625	252.0
181.06106567382812	216.0
181.09178161621094	9816.0
181.34841918945312	192.0
181.4511260986328	160.0
181.59298706054688	1612.0
181.63238525390625	124.0
181.92369079589844	128.0
182.0786895751953	208.0
182.48606872558594	100.0
182.7292022705078	228.0
182.9766082763672	112.0
183.0560302734375	144.0
183.4961700439453	108.0
183.59613037109375	132.0
186.95274353027344	104.0
187.07826232910156	144.0
187.14524841308594	152.0
188.01861572265625	148.0
188.0731964111328	240.0
189.87347412109375	196.0
190.04904174804688	172.0
190.5981903076172	196.0
192.09413146972656	272.0
192.59548950195312	144.0
193.01832580566406	192.0
200.02960205078125	148.0
203.0613555908203	704.0
204.06378173828125	100.0
211.0455322265625	208.0
213.05690002441406	224.0
214.09237670898438	308.0
215.0301055908203	104.0
216.0312042236328	280.0
217.0365447998047	208.0
229.05133056640625	188.0
230.55686950683594	144.0
231.0575714111328	4108.0
232.05917358398438	440.0
233.0648193359375	132.0
243.0580291748047	324.0
245.06338500976562	156.0
248.04481506347656	140.0
249.0650177001953	180.0
255.04920959472656	144.0
259.08917236328125	160.0
269.89306640625	168.0
270.13507080078125	252.0
271.0761413574219	456.0
272.0810852050781	364.0
272.1123046875	132.0
273.097900390625	164.0
274.0971374511719	384.0
279.98114013671875	188.0
290.4543762207031	168.0
300.112548828125	168.0
301.54833984375	212.0
302.0497131347656	212.0
302.130859375	8592.0
303.13494873046875	2268.0
304.1346435546875	432.0
306.1451416015625	188.0
312.13250732421875	292.0
320.1387939453125	164.0
332.1404113769531	276.0
455.9663391113281	172.0
1151.3358154296875	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079096
PEPMASS=322.232727
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_G2_H11_BD3_01_15725.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Rimcazole [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@H]1CN(CCCn2c3ccccc3c4ccccc24)C[C@@H](C)N1
INCHI=InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
INCHIAUX=GUDVQJXODNJRIJ-CALCHBBNSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079096
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079096
SCANS=1109
44.991004943847656	124.0
45.33147048950195	192.0
45.477264404296875	232.0
45.653263092041016	224.0
45.665367126464844	152.0
46.50170135498047	160.0
47.41275405883789	144.0
47.49913024902344	176.0
47.86057662963867	168.0
48.65141677856445	148.0
49.59019470214844	140.0
50.841190338134766	160.0
51.226505279541016	228.0
52.01441955566406	164.0
53.25912094116211	140.0
55.18924331665039	168.0
57.79045104980469	148.0
59.09592056274414	156.0
59.10816192626953	148.0
61.89457321166992	240.0
63.129852294921875	156.0
63.27859115600586	228.0
63.69090270996094	208.0
64.00579071044922	160.0
64.14280700683594	168.0
66.7803726196289	156.0
66.92520141601562	152.0
68.86029052734375	156.0
70.26795959472656	248.0
70.85311126708984	180.0
71.14995574951172	168.0
71.2439956665039	184.0
72.3900146484375	124.0
73.20845794677734	164.0
73.24542236328125	148.0
73.49070739746094	156.0
74.0514144897461	172.0
74.25879669189453	184.0
74.56439971923828	152.0
74.6125259399414	148.0
75.9074935913086	140.0
76.13829040527344	148.0
76.50865173339844	172.0
76.58353424072266	204.0
76.66192626953125	188.0
76.80314636230469	148.0
77.37457275390625	152.0
77.56376647949219	160.0
78.00084686279297	152.0
78.88044738769531	184.0
78.91757202148438	244.0
80.21533966064453	152.0
80.84761047363281	176.0
81.00875091552734	164.0
81.8294677734375	144.0
82.67784881591797	148.0
83.10005187988281	148.0
84.04618835449219	168.0
84.07720947265625	152.0
85.8512191772461	232.0
85.899169921875	192.0
86.54600524902344	188.0
86.8517837524414	180.0
87.46310424804688	180.0
89.35505676269531	232.0
90.4950180053711	160.0
91.94731140136719	164.0
93.34770202636719	204.0
95.43020629882812	188.0
96.07935333251953	332.0
96.59251403808594	160.0
97.81106567382812	160.0
98.04544067382812	160.0
98.09649658203125	452.0
98.2110595703125	208.0
98.53084564208984	172.0
101.74127197265625	188.0
102.2236557006836	196.0
103.19548034667969	204.0
104.81153869628906	152.0
105.86148834228516	160.0
107.19879913330078	172.0
107.9439926147461	152.0
108.1136245727539	208.0
108.90352630615234	212.0
110.0958251953125	148.0
110.20133972167969	352.0
110.53170013427734	220.0
111.08576202392578	140.0
111.51525115966797	160.0
112.10021209716797	2388.0
112.1361312866211	188.0
112.70801544189453	144.0
113.10490417480469	128.0
113.58236694335938	160.0
114.11114501953125	152.0
114.69017028808594	140.0
114.96529388427734	188.0
117.24064636230469	160.0
118.43540954589844	156.0
119.0556869506836	184.0
119.42298126220703	140.0
119.50564575195312	192.0
121.17808532714844	200.0
121.31834411621094	156.0
121.34903717041016	376.0
121.59471893310547	180.0
122.75688934326172	156.0
124.31804656982422	204.0
124.43791198730469	172.0
124.92683410644531	176.0
125.10931396484375	152.0
125.45237731933594	168.0
125.87628936767578	156.0
126.1466293334961	164.0
126.67249298095703	140.0
127.12364959716797	10196.0
127.24500274658203	204.0
127.595947265625	144.0
128.02008056640625	196.0
128.1259307861328	896.0
129.03997802734375	204.0
129.1370086669922	344.0
129.1598358154297	140.0
129.2095947265625	176.0
129.3453826904297	204.0
129.7758026123047	156.0
129.87559509277344	188.0
129.98902893066406	188.0
130.0094451904297	192.0
130.14791870117188	140.0
130.4659881591797	152.0
130.7321014404297	168.0
132.27955627441406	164.0
132.41464233398438	244.0
133.10031127929688	168.0
134.99215698242188	208.0
136.77259826660156	160.0
137.35647583007812	156.0
138.13198852539062	148.0
138.70333862304688	188.0
138.93080139160156	168.0
138.99649047851562	144.0
139.0528106689453	140.0
139.12322998046875	148.0
140.1329803466797	436.0
141.03125	172.0
141.13525390625	172.0
143.6475372314453	164.0
144.57977294921875	160.0
145.37059020996094	168.0
145.94708251953125	208.0
146.84048461914062	152.0
147.04074096679688	252.0
148.1153106689453	152.0
149.17950439453125	148.0
149.73426818847656	140.0
149.90968322753906	144.0
150.04750061035156	148.0
150.2534637451172	176.0
151.0554656982422	340.0
151.5614471435547	144.0
151.88511657714844	164.0
152.0618133544922	1800.0
152.4227752685547	156.0
152.47683715820312	200.0
153.07115173339844	620.0
153.13790893554688	364.0
153.5936737060547	184.0
153.72787475585938	180.0
154.00711059570312	188.0
154.0671844482422	140.0
154.55319213867188	152.0
154.98153686523438	220.0
155.0472412109375	280.0
155.08840942382812	160.0
155.15528869628906	7284.0
156.15914916992188	1140.0
156.24029541015625	240.0
156.4368896484375	148.0
157.1598358154297	148.0
158.88595581054688	180.0
159.01393127441406	200.0
159.45594787597656	144.0
163.24810791015625	144.0
165.23252868652344	244.0
165.74459838867188	224.0
166.06761169433594	140.0
167.0713653564453	392.0
167.5946044921875	172.0
168.0819091796875	340.0
168.69920349121094	204.0
169.0587158203125	148.0
169.59481811523438	188.0
170.08763122558594	160.0
170.92967224121094	156.0
171.50262451171875	172.0
171.6720733642578	148.0
171.7711944580078	160.0
171.81292724609375	168.0
173.012451171875	204.0
173.19837951660156	148.0
174.16099548339844	176.0
174.30812072753906	144.0
175.47940063476562	156.0
175.9410858154297	148.0
176.92750549316406	160.0
176.96688842773438	140.0
179.01943969726562	144.0
179.0701904296875	420.0
179.15261840820312	268.0
179.33847045898438	160.0
179.4054412841797	124.0
179.44667053222656	212.0
179.62710571289062	180.0
179.77117919921875	148.0
179.87420654296875	176.0
179.9238739013672	192.0
179.9521484375	156.0
180.0009765625	196.0
180.082275390625	98948.0
180.19602966308594	220.0
180.40252685546875	116.0
180.44607543945312	104.0
180.4825439453125	108.0
180.52320861816406	112.0
180.63783264160156	128.0
181.04901123046875	180.0
181.0844268798828	12100.0
182.0409393310547	108.0
182.0924072265625	812.0
182.22259521484375	176.0
182.2752685546875	96.0
182.32330322265625	152.0
182.37161254882812	116.0
182.4523162841797	176.0
182.4745635986328	132.0
182.493896484375	156.0
182.61366271972656	152.0
183.10194396972656	256.0
183.52767944335938	96.0
183.63172912597656	176.0
183.9258270263672	244.0
184.00680541992188	192.0
184.1134490966797	672.0
184.5931396484375	148.0
185.11456298828125	288.0
185.47457885742188	196.0
187.72412109375	144.0
188.9751434326172	152.0
191.1482696533203	164.0
192.09326171875	196.0
192.75311279296875	144.0
193.03506469726562	164.0
193.08935546875	528.0
193.82118225097656	144.0
194.09828186035156	264.0
194.2620086669922	160.0
195.1034393310547	160.0
195.65426635742188	224.0
196.0804443359375	212.0
197.08782958984375	156.0
198.66966247558594	144.0
198.91099548339844	180.0
199.2873077392578	144.0
200.31979370117188	156.0
202.64767456054688	148.0
202.85455322265625	248.0
204.9120635986328	176.0
205.08790588378906	280.0
206.09678649902344	360.0
206.32476806640625	148.0
206.47344970703125	176.0
207.1044921875	132.0
207.60177612304688	368.0
208.00918579101562	156.0
208.11196899414062	6712.0
208.1996612548828	176.0
208.35952758789062	172.0
209.1160430908203	1280.0
209.1560821533203	176.0
210.12127685546875	256.0
210.41583251953125	260.0
213.0396270751953	164.0
214.11000061035156	176.0
214.1624298095703	148.0
214.99917602539062	152.0
216.34661865234375	152.0
216.95596313476562	144.0
217.1230926513672	164.0
217.2521514892578	264.0
217.51625061035156	156.0
217.65423583984375	164.0
218.89511108398438	140.0
220.117431640625	176.0
221.85855102539062	200.0
222.13070678710938	140.0
222.70423889160156	184.0
226.7379913330078	200.0
229.6060791015625	196.0
231.86744689941406	156.0
232.57412719726562	148.0
233.96026611328125	148.0
234.6182861328125	160.0
235.9187774658203	144.0
236.14198303222656	144.0
237.14315795898438	184.0
237.25350952148438	144.0
239.69387817382812	168.0
240.55125427246094	152.0
241.23703002929688	176.0
241.663818359375	176.0
242.69210815429688	140.0
243.01158142089844	140.0
243.1574249267578	192.0
247.46229553222656	144.0
248.50599670410156	228.0
249.25230407714844	156.0
250.08035278320312	152.0
250.889892578125	172.0
253.1616668701172	216.0
254.47439575195312	164.0
254.51885986328125	140.0
254.81741333007812	184.0
257.13238525390625	160.0
259.08929443359375	176.0
259.5796813964844	160.0
261.64239501953125	196.0
262.1448669433594	156.0
262.8607482910156	148.0
263.1412353515625	120.0
264.0625	152.0
265.17108154296875	1068.0
265.31884765625	200.0
266.08123779296875	204.0
266.1738586425781	484.0
268.818603515625	208.0
270.41339111328125	168.0
272.13037109375	212.0
272.4135437011719	204.0
274.37158203125	152.0
275.24261474609375	156.0
275.3548889160156	168.0
275.8306579589844	152.0
276.33001708984375	200.0
277.9668273925781	140.0
278.33197021484375	176.0
278.7205810546875	172.0
279.17425537109375	176.0
285.07293701171875	140.0
285.1636657714844	200.0
286.0718688964844	264.0
287.7777404785156	260.0
288.08843994140625	144.0
291.8639831542969	176.0
298.53546142578125	236.0
300.4263610839844	184.0
300.57818603515625	160.0
301.32049560546875	204.0
302.24365234375	264.0
306.0617980957031	184.0
306.19879150390625	312.0
310.80499267578125	256.0
310.8295593261719	224.0
310.90673828125	172.0
313.79815673828125	144.0
313.94622802734375	168.0
316.1576843261719	156.0
316.32049560546875	148.0
317.94024658203125	148.0
319.4503173828125	140.0
319.7919006347656	144.0
320.21728515625	680.0
320.391357421875	148.0
320.5041198730469	148.0
320.75213623046875	224.0
320.8733215332031	144.0
320.9853210449219	144.0
321.0903015136719	148.0
321.13836669921875	224.0
321.2061462402344	156.0
321.2479248046875	216.0
321.34979248046875	140.0
321.43121337890625	220.0
321.50970458984375	96.0
321.5661315917969	164.0
321.609130859375	160.0
321.68682861328125	128.0
321.7118835449219	264.0
321.82952880859375	332.0
321.9082946777344	276.0
321.9979248046875	196.0
322.04840087890625	328.0
322.12701416015625	248.0
322.2307434082031	201432.0
322.362548828125	136.0
322.50860595703125	132.0
322.5341491699219	276.0
322.5644836425781	132.0
322.6077575683594	200.0
322.62078857421875	224.0
322.66571044921875	220.0
322.7211608886719	160.0
322.7494812011719	332.0
322.7811584472656	160.0
322.81805419921875	2120.0
322.8641357421875	240.0
322.91815185546875	176.0
323.0086364746094	272.0
323.1278991699219	196.0
323.2329406738281	46832.0
323.3348083496094	180.0
323.3999328613281	176.0
323.4534912109375	116.0
323.5069580078125	268.0
323.667724609375	192.0
323.8215026855469	112.0
323.8911437988281	128.0
323.93499755859375	116.0
324.1053466796875	112.0
324.152099609375	448.0
324.23602294921875	6360.0
324.4267883300781	108.0
324.9367370605469	212.0
325.0229187011719	188.0
325.0708312988281	184.0
325.15228271484375	236.0
325.2337646484375	348.0
325.3704528808594	144.0
325.4344482421875	280.0
325.47393798828125	172.0
325.5129699707031	160.0
325.5994873046875	124.0
325.7359619140625	124.0
326.1239013671875	332.0
326.2031555175781	120.0
326.4112854003906	136.0
326.87152099609375	120.0
327.0340270996094	112.0
327.5281066894531	140.0
328.0952453613281	140.0
328.268310546875	144.0
372.1380615234375	168.0
625.3964233398438	140.0
959.8690795898438	204.0
1091.6221923828125	156.0
1113.5098876953125	164.0
1252.010498046875	156.0
1299.3016357421875	192.0
1299.7608642578125	160.0
1439.970703125	176.0
1506.875244140625	156.0
1509.1243896484375	180.0
1516.191650390625	164.0
1516.8427734375	160.0
1522.71630859375	156.0
1531.8321533203125	148.0
1535.940185546875	188.0
1556.1617431640625	172.0
1571.5252685546875	144.0
1608.276123046875	144.0
1610.5357666015625	208.0
1625.153564453125	172.0
1632.7044677734375	164.0
1659.302490234375	188.0
1734.3634033203125	172.0
1746.486083984375	152.0
1786.949951171875	212.0
1790.7294921875	152.0
1815.0848388671875	196.0
1831.2398681640625	152.0
1831.7603759765625	204.0
1838.1622314453125	160.0
1840.5693359375	200.0
1850.11083984375	204.0
1884.970458984375	200.0
1885.143310546875	220.0
1885.5408935546875	164.0
1901.1552734375	144.0
1908.9300537109375	164.0
1920.0169677734375	136.0
1938.1533203125	136.0
1955.0584716796875	224.0
1958.6329345703125	256.0
1959.3553466796875	192.0
1976.236083984375	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079097
PEPMASS=161.619461
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_G2_H11_BD3_01_15725.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Rimcazole [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@H]1CN(CCCn2c3ccccc3c4ccccc24)C[C@@H](C)N1
INCHI=InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
INCHIAUX=GUDVQJXODNJRIJ-CALCHBBNSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079097
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079097
SCANS=1113
45.470550537109375	144.0
46.165714263916016	168.0
47.10490036010742	180.0
47.512847900390625	152.0
48.028709411621094	172.0
48.4697265625	160.0
48.795902252197266	212.0
49.02417755126953	176.0
49.1720085144043	156.0
49.22086715698242	236.0
49.7809944152832	156.0
50.59172439575195	164.0
51.51180648803711	184.0
53.02146530151367	160.0
54.34379577636719	168.0
55.19811248779297	184.0
56.1768798828125	244.0
56.62679672241211	156.0
57.123626708984375	208.0
57.426387786865234	188.0
59.10356903076172	140.0
61.02236557006836	172.0
62.38564682006836	160.0
62.747737884521484	144.0
62.889713287353516	160.0
63.25326156616211	176.0
63.80213928222656	140.0
63.857601165771484	148.0
65.16863250732422	180.0
65.23131561279297	168.0
65.63541412353516	140.0
66.57635498046875	204.0
66.8763656616211	196.0
67.7499771118164	188.0
69.98129272460938	144.0
70.15956115722656	180.0
70.32954406738281	204.0
71.60564422607422	216.0
72.51799011230469	184.0
73.37643432617188	140.0
73.93498992919922	152.0
75.41928100585938	152.0
75.65453338623047	192.0
75.86587524414062	196.0
75.88321685791016	176.0
76.32770538330078	144.0
77.35707092285156	164.0
77.37457275390625	164.0
77.55325317382812	216.0
77.80409240722656	152.0
77.98326873779297	144.0
78.00435638427734	208.0
78.33165740966797	184.0
78.66316986083984	180.0
78.89812469482422	144.0
79.04138946533203	156.0
79.06439208984375	152.0
80.27774047851562	148.0
81.41949462890625	176.0
82.3795166015625	184.0
82.48974609375	244.0
84.25798034667969	180.0
84.38774108886719	144.0
85.97297668457031	184.0
86.09296417236328	144.0
86.7238540649414	192.0
87.13375854492188	196.0
88.18890380859375	156.0
88.3382568359375	196.0
89.1651382446289	212.0
89.4962158203125	192.0
89.53764343261719	220.0
89.86186218261719	172.0
90.43065643310547	168.0
90.543701171875	588.0
91.0544204711914	200.0
91.541259765625	152.0
91.61934661865234	184.0
92.13423919677734	188.0
93.42848205566406	196.0
93.87147521972656	160.0
94.4547348022461	152.0
94.51664733886719	216.0
94.83424377441406	156.0
95.32330322265625	212.0
95.51771545410156	168.0
95.6111068725586	260.0
96.08104705810547	180.0
97.08019256591797	152.0
97.2665786743164	156.0
98.09735870361328	248.0
98.59210205078125	196.0
98.93824005126953	172.0
99.09866333007812	388.0
99.7038803100586	184.0
99.93450927734375	200.0
100.1102066040039	856.0
100.5562744140625	164.0
100.92384338378906	156.0
101.11675262451172	176.0
101.5325927734375	160.0
101.93609619140625	204.0
102.9150390625	200.0
103.25452423095703	148.0
103.98590850830078	144.0
104.02650451660156	148.0
104.5875244140625	148.0
104.87675476074219	164.0
106.54244995117188	192.0
106.92284393310547	152.0
106.93724822998047	156.0
107.54733276367188	168.0
108.71031188964844	308.0
109.3255615234375	156.0
109.97371673583984	180.0
110.09689331054688	180.0
111.2400894165039	184.0
111.99075317382812	160.0
112.1125259399414	2232.0
113.03712463378906	100.0
113.10742950439453	584.0
113.12145233154297	664.0
113.83916473388672	148.0
113.90925598144531	140.0
113.96449279785156	164.0
114.1260757446289	172.0
115.05493927001953	148.0
115.09123992919922	192.0
115.12373352050781	2280.0
115.4416732788086	180.0
115.95975494384766	192.0
116.04550170898438	140.0
116.12516784667969	132.0
117.09629821777344	156.0
117.55980682373047	168.0
119.07344055175781	208.0
119.36209106445312	160.0
119.5740966796875	196.0
121.24601745605469	176.0
121.30738830566406	172.0
123.48062896728516	208.0
123.57353973388672	220.0
123.61115264892578	164.0
125.11125946044922	268.0
125.30529022216797	156.0
125.66424560546875	176.0
125.87852478027344	160.0
125.90308380126953	228.0
125.96562194824219	256.0
126.4687271118164	220.0
126.69041442871094	176.0
127.0490951538086	152.0
127.1221923828125	1196.0
127.66578674316406	228.0
128.12924194335938	288.0
128.95860290527344	216.0
130.98483276367188	160.0
131.26742553710938	196.0
132.0830841064453	388.0
132.49481201171875	144.0
132.5635528564453	196.0
133.08935546875	2580.0
133.58926391601562	436.0
133.71897888183594	144.0
133.8522186279297	200.0
134.0872039794922	168.0
135.08697509765625	140.0
136.63198852539062	148.0
137.03646850585938	132.0
137.49879455566406	140.0
138.1312713623047	352.0
138.81820678710938	164.0
139.05584716796875	1392.0
139.08981323242188	932.0
139.19601440429688	224.0
139.56491088867188	144.0
139.960205078125	144.0
140.05043029785156	916.0
140.0985107421875	348.0
140.60171508789062	380.0
140.71234130859375	164.0
141.05874633789062	168.0
141.11398315429688	164.0
141.14328002929688	192.0
141.961669921875	148.0
142.90228271484375	140.0
143.2165069580078	156.0
143.339599609375	192.0
144.4768829345703	248.0
144.91500854492188	152.0
146.79466247558594	144.0
147.4803009033203	184.0
148.05128479003906	204.0
148.480224609375	172.0
148.56512451171875	228.0
149.29864501953125	196.0
150.04617309570312	176.0
150.32423400878906	180.0
151.0536651611328	408.0
152.06292724609375	3152.0
152.68580627441406	172.0
153.06993103027344	1652.0
153.10426330566406	920.0
153.14111328125	276.0
153.2019805908203	164.0
153.58477783203125	148.0
153.6038818359375	480.0
154.0019073486328	212.0
154.06948852539062	288.0
154.09811401367188	148.0
154.5779266357422	184.0
155.0674285888672	188.0
155.1558380126953	3504.0
155.23736572265625	212.0
155.31373596191406	164.0
156.1570281982422	456.0
157.04986572265625	152.0
157.16775512695312	204.0
157.9824676513672	160.0
158.70538330078125	180.0
158.98883056640625	176.0
160.6104736328125	1472.0
160.8185272216797	140.0
160.9927215576172	144.0
161.1142578125	156.0
161.3135986328125	164.0
161.46627807617188	180.0
161.52853393554688	144.0
161.54624938964844	188.0
161.5933837890625	168.0
161.6185760498047	45984.0
161.6774444580078	192.0
161.7197723388672	228.0
161.92808532714844	164.0
162.0338134765625	248.0
162.07635498046875	124.0
162.11871337890625	10564.0
162.17771911621094	124.0
162.28427124023438	116.0
162.47671508789062	100.0
162.62103271484375	1072.0
163.05886840820312	128.0
163.12420654296875	260.0
163.5853729248047	472.0
163.6597137451172	156.0
163.72825622558594	160.0
163.75656127929688	96.0
163.8524627685547	164.0
164.0541534423828	200.0
164.08836364746094	152.0
165.0643768310547	336.0
165.25845336914062	148.0
165.28753662109375	136.0
165.84710693359375	220.0
166.06591796875	5488.0
166.2831268310547	140.0
166.33702087402344	140.0
166.43971252441406	148.0
166.7267303466797	208.0
166.90284729003906	180.0
166.98193359375	184.0
167.02902221679688	224.0
167.07444763183594	100324.0
167.14251708984375	152.0
167.25942993164062	200.0
167.3338623046875	104.0
167.45619201660156	128.0
167.4973907470703	544.0
167.62298583984375	176.0
167.94705200195312	184.0
168.07891845703125	16612.0
168.22645568847656	128.0
168.53411865234375	136.0
169.08175659179688	1560.0
169.1773223876953	116.0
169.22589111328125	136.0
169.24830627441406	148.0
169.2904052734375	108.0
169.34295654296875	152.0
169.4209747314453	212.0
169.4839630126953	124.0
170.02793884277344	160.0
170.0884246826172	172.0
170.34921264648438	136.0
170.518798828125	152.0
172.50985717773438	96.0
174.2792205810547	180.0
178.06454467773438	264.0
179.07223510742188	876.0
179.84324645996094	220.0
180.05067443847656	144.0
180.0816192626953	28008.0
180.15794372558594	116.0
181.0853729248047	3684.0
182.09298706054688	340.0
182.1289825439453	208.0
182.41070556640625	108.0
182.45359802246094	152.0
183.08592224121094	184.0
189.0654296875	148.0
191.06982421875	228.0
192.07644653320312	380.0
193.0885467529297	368.0
194.09620666503906	784.0
195.1016387939453	296.0
195.37193298339844	132.0
196.07894897460938	112.0
206.09396362304688	236.0
206.1239013671875	172.0
207.107421875	220.0
208.05224609375	176.0
208.11294555664062	2720.0
209.11651611328125	424.0
209.1445770263672	152.0
211.12376403808594	204.0
222.1135711669922	172.0
222.18179321289062	152.0
223.11727905273438	152.0
223.14404296875	184.0
225.14199829101562	132.0
227.25375366210938	156.0
235.1229248046875	152.0
250.1527557373047	164.0
251.1551971435547	180.0
263.1512451171875	140.0
265.1682434082031	1228.0
266.17578125	288.0
267.1276550292969	152.0
279.1817321777344	148.0
1162.099365234375	140.0
1177.6407470703125	204.0
1248.400390625	180.0
1293.0247802734375	160.0
1324.402099609375	188.0
1389.1011962890625	204.0
1397.0198974609375	168.0
1467.3719482421875	168.0
1469.5609130859375	200.0
1501.248291015625	184.0
1502.5950927734375	260.0
1519.7509765625	148.0
1527.7608642578125	224.0
1541.9833984375	160.0
1556.224609375	252.0
1564.4481201171875	204.0
1567.2440185546875	140.0
1570.9415283203125	172.0
1572.55908203125	160.0
1581.0787353515625	180.0
1585.569091796875	152.0
1593.472412109375	168.0
1597.5030517578125	204.0
1613.11669921875	180.0
1615.187744140625	204.0
1618.2127685546875	156.0
1623.02001953125	140.0
1648.9090576171875	152.0
1670.0377197265625	220.0
1685.6497802734375	152.0
1689.58251953125	148.0
1694.216064453125	156.0
1695.789306640625	148.0
1702.771240234375	172.0
1703.190185546875	256.0
1710.9610595703125	144.0
1713.093994140625	164.0
1719.995849609375	184.0
1730.660400390625	208.0
1735.62353515625	152.0
1757.07373046875	148.0
1764.0718994140625	168.0
1769.9952392578125	196.0
1783.6365966796875	192.0
1785.8984375	184.0
1787.6988525390625	144.0
1792.9453125	212.0
1810.7713623046875	184.0
1810.839111328125	188.0
1814.4404296875	168.0
1814.9576416015625	276.0
1828.966552734375	184.0
1829.7156982421875	152.0
1832.47509765625	160.0
1835.6884765625	140.0
1840.9024658203125	172.0
1842.4312744140625	180.0
1843.9180908203125	184.0
1846.4144287109375	148.0
1852.4915771484375	184.0
1863.32666015625	176.0
1863.998046875	136.0
1866.43798828125	176.0
1869.2420654296875	160.0
1882.80224609375	184.0
1890.53076171875	176.0
1893.794677734375	300.0
1905.2535400390625	168.0
1907.113037109375	144.0
1924.4573974609375	152.0
1925.49658203125	156.0
1929.105224609375	192.0
1931.64990234375	184.0
1934.5113525390625	144.0
1953.4835205078125	148.0
1954.85888671875	184.0
1969.3585205078125	220.0
1973.114013671875	164.0
1978.59912109375	140.0
1978.8736572265625	176.0
1982.86865234375	148.0
1990.107177734375	180.0
1991.7991943359375	148.0
1995.1357421875	192.0
2003.02001953125	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079098
PEPMASS=268.138214
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_G2_H11_BD3_01_15725.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="Benzo[a]phenanthridine-10,11-diol, 5,6,6a,7,8,12b-hexahydro-, trans- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
INCHI=InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
INCHIAUX=BGOQGUHWXBGXJW-RHSMWYFYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079098
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079098
SCANS=1009
44.94990921020508	144.0
44.96192169189453	156.0
45.41586685180664	180.0
45.42755126953125	184.0
45.5945930480957	176.0
45.833580017089844	220.0
46.025115966796875	176.0
46.521995544433594	172.0
47.040653228759766	192.0
47.27300262451172	148.0
47.40309524536133	140.0
47.43324661254883	172.0
47.49769592285156	152.0
47.72154235839844	212.0
48.050716400146484	172.0
48.81529998779297	248.0
49.075687408447266	140.0
49.26130294799805	156.0
49.31999206542969	152.0
49.75003433227539	192.0
49.80620574951172	176.0
49.85191345214844	196.0
49.86662292480469	196.0
49.90879440307617	160.0
49.92781448364258	168.0
49.98403549194336	180.0
50.05513381958008	180.0
50.39365768432617	240.0
50.60298156738281	152.0
50.93766784667969	176.0
51.08977508544922	144.0
51.45175552368164	164.0
51.73481750488281	224.0
51.80355453491211	144.0
52.4343376159668	204.0
52.93852615356445	244.0
53.818267822265625	168.0
54.305580139160156	192.0
54.320247650146484	260.0
54.342254638671875	196.0
54.88941955566406	164.0
55.026641845703125	168.0
55.15073013305664	164.0
55.77623748779297	148.0
55.987510681152344	164.0
56.0411376953125	184.0
56.32412338256836	168.0
56.391822814941406	164.0
56.538387298583984	184.0
56.71839904785156	128.0
56.994441986083984	160.0
57.21384048461914	216.0
57.358455657958984	152.0
58.02058029174805	204.0
58.38804244995117	148.0
59.37923049926758	236.0
60.64971160888672	160.0
60.70707702636719	172.0
61.39287567138672	172.0
61.44435119628906	160.0
61.516136169433594	176.0
61.66452407836914	144.0
61.9947395324707	200.0
62.37455749511719	168.0
62.429588317871094	208.0
62.47520065307617	160.0
62.52269744873047	172.0
62.56962585449219	196.0
63.080753326416016	144.0
63.40839385986328	160.0
63.45277786254883	156.0
63.74165344238281	184.0
63.771846771240234	192.0
64.0439224243164	156.0
64.13314819335938	152.0
64.20808410644531	140.0
64.42356872558594	140.0
64.93096923828125	188.0
64.9710693359375	140.0
64.98711395263672	140.0
65.0352554321289	152.0
65.50639343261719	168.0
65.73856353759766	184.0
66.16041564941406	140.0
66.46485900878906	212.0
66.66465759277344	168.0
66.9023208618164	192.0
67.08966064453125	240.0
67.39322662353516	176.0
67.67782592773438	148.0
67.81707000732422	164.0
68.53575897216797	232.0
68.59455108642578	172.0
68.64070892333984	180.0
68.87175750732422	144.0
69.06018829345703	172.0
69.12305450439453	176.0
69.33335876464844	204.0
69.54399108886719	168.0
69.75494384765625	140.0
69.88965606689453	168.0
70.06780242919922	216.0
70.28955841064453	192.0
70.41309356689453	164.0
70.66618347167969	168.0
71.63754272460938	256.0
72.35527801513672	216.0
72.60096740722656	140.0
73.27237701416016	160.0
73.55886840820312	144.0
73.78437042236328	164.0
73.80317687988281	176.0
74.10269927978516	160.0
74.26555633544922	148.0
74.78960418701172	160.0
75.00836181640625	200.0
75.09847259521484	184.0
75.31723022460938	144.0
75.9368667602539	232.0
76.33108520507812	260.0
77.11907196044922	144.0
77.62151336669922	224.0
77.79872131347656	196.0
78.0745849609375	192.0
78.17485809326172	192.0
79.35124206542969	180.0
79.43144226074219	212.0
79.46733093261719	152.0
79.7151107788086	156.0
79.98974609375	184.0
80.08515167236328	168.0
80.73121643066406	140.0
80.75556945800781	156.0
81.5972671508789	140.0
82.0635757446289	180.0
82.41011810302734	208.0
82.58003997802734	140.0
82.93335723876953	144.0
83.87828826904297	152.0
83.96739196777344	120.0
84.01237487792969	200.0
84.38214111328125	164.0
84.51016998291016	168.0
84.71521759033203	184.0
84.79104614257812	176.0
84.81050109863281	160.0
85.35942840576172	148.0
85.46611022949219	148.0
86.04023742675781	168.0
86.50515747070312	164.0
86.52182006835938	164.0
86.6644287109375	176.0
87.30229949951172	208.0
87.61567687988281	144.0
87.91960906982422	164.0
88.06149291992188	144.0
88.16985321044922	148.0
88.25023651123047	180.0
88.39051818847656	148.0
88.76515197753906	152.0
88.95277404785156	188.0
90.17520141601562	160.0
90.40971374511719	152.0
91.0541763305664	2372.0
91.26228332519531	140.0
91.33749389648438	160.0
91.37173461914062	232.0
91.74500274658203	176.0
91.82378387451172	128.0
92.05846405029297	152.0
92.17252349853516	424.0
92.40770721435547	192.0
92.89814758300781	156.0
92.91157531738281	156.0
93.07279205322266	168.0
93.27643585205078	180.0
93.50828552246094	184.0
93.55245208740234	140.0
93.73834228515625	228.0
94.01216888427734	224.0
94.070068359375	164.0
94.88296508789062	160.0
95.04874420166016	116.0
95.06877899169922	144.0
95.39897155761719	156.0
96.26084899902344	272.0
96.42423248291016	140.0
96.46723175048828	196.0
96.83705139160156	256.0
96.85004425048828	180.0
97.39408111572266	140.0
97.52572631835938	156.0
98.6124267578125	116.0
98.68777465820312	204.0
98.8846664428711	192.0
99.25709533691406	196.0
99.63618469238281	180.0
99.91451263427734	180.0
100.0478515625	144.0
101.08572387695312	168.0
101.13575744628906	328.0
101.83551025390625	140.0
101.90782928466797	176.0
102.61023712158203	220.0
102.73931121826172	172.0
103.05427551269531	296.0
103.34456634521484	192.0
103.70587158203125	208.0
104.9928207397461	144.0
105.03337860107422	140.0
105.29077911376953	164.0
106.00679016113281	160.0
106.23231506347656	144.0
106.5032730102539	236.0
107.00297546386719	144.0
107.05078125	184.0
107.28727722167969	216.0
107.33057403564453	196.0
107.96659088134766	140.0
107.99347686767578	172.0
108.23353576660156	196.0
108.47386169433594	156.0
108.68746948242188	152.0
109.01971435546875	168.0
109.15275573730469	148.0
109.68989562988281	192.0
109.7837142944336	184.0
109.90679168701172	144.0
110.00696563720703	148.0
110.0633316040039	148.0
110.10718536376953	168.0
110.64338684082031	168.0
112.71842956542969	184.0
113.14990997314453	152.0
113.505859375	200.0
113.62675476074219	192.0
114.20880889892578	220.0
114.44715881347656	208.0
114.76493835449219	136.0
114.80941009521484	156.0
115.05613708496094	332.0
115.0739974975586	204.0
115.49925994873047	196.0
116.16973114013672	212.0
116.64859771728516	148.0
116.77115631103516	200.0
117.05768585205078	140.0
117.33963775634766	144.0
117.52080535888672	148.0
117.6438217163086	156.0
117.91114044189453	152.0
118.04261779785156	172.0
118.06578063964844	25492.0
118.11546325683594	212.0
118.67578887939453	156.0
118.74774169921875	156.0
119.06881713867188	1696.0
119.73622131347656	148.0
120.07968139648438	192.0
121.03117370605469	220.0
121.18011474609375	156.0
121.26338195800781	140.0
121.51994323730469	148.0
121.59674835205078	152.0
121.73285675048828	208.0
122.48282623291016	212.0
122.50264739990234	176.0
123.04440307617188	15000.0
123.07523345947266	260.0
123.13690948486328	108.0
124.04800415039062	596.0
124.28759765625	124.0
124.7630615234375	120.0
124.79840850830078	144.0
125.04747772216797	108.0
125.17123413085938	160.0
125.36707305908203	164.0
125.71316528320312	196.0
125.7667236328125	184.0
126.15316009521484	156.0
127.05509948730469	552.0
127.9681167602539	204.0
128.0631103515625	316.0
128.70541381835938	192.0
128.88385009765625	208.0
129.0709991455078	556.0
129.35877990722656	144.0
129.39500427246094	168.0
130.0732879638672	132.0
130.30609130859375	144.0
130.48626708984375	172.0
130.6909637451172	140.0
130.79505920410156	184.0
131.05075073242188	412.0
131.0712127685547	268.0
131.56385803222656	140.0
131.6734619140625	152.0
131.7477264404297	188.0
132.05636596679688	172.0
132.1809539794922	164.0
132.9119110107422	168.0
134.6314697265625	172.0
134.8601837158203	148.0
135.3459930419922	148.0
135.38890075683594	184.0
135.8094940185547	152.0
136.32952880859375	220.0
136.4972686767578	128.0
136.65264892578125	192.0
136.9996337890625	164.0
137.05828857421875	160.0
137.48927307128906	144.0
137.58030700683594	196.0
138.0686492919922	196.0
138.1224365234375	204.0
138.19729614257812	164.0
138.62110900878906	160.0
138.78050231933594	144.0
139.04322814941406	148.0
139.55296325683594	188.0
139.8207550048828	124.0
139.8517303466797	148.0
141.06869506835938	2320.0
141.11712646484375	160.0
141.23912048339844	148.0
141.71258544921875	192.0
142.07655334472656	524.0
142.13226318359375	180.0
142.20346069335938	160.0
142.69041442871094	164.0
143.0496368408203	356.0
143.08168029785156	304.0
143.19656372070312	176.0
143.43553161621094	260.0
144.07748413085938	320.0
144.298828125	216.0
144.3451385498047	156.0
144.45379638671875	120.0
144.7758331298828	188.0
145.06578063964844	252.0
145.85072326660156	160.0
145.9613037109375	180.0
146.01902770996094	148.0
146.09564208984375	1284.0
146.19464111328125	164.0
146.41517639160156	172.0
146.46188354492188	224.0
146.47874450683594	188.0
146.66909790039062	204.0
147.0452117919922	176.0
147.09881591796875	376.0
147.74851989746094	148.0
147.8332061767578	156.0
147.99537658691406	140.0
148.0561065673828	160.0
148.26910400390625	140.0
148.3854522705078	148.0
148.4678955078125	148.0
148.58676147460938	228.0
149.061279296875	564.0
149.30331420898438	208.0
149.42044067382812	128.0
149.81932067871094	152.0
149.8948516845703	196.0
151.05429077148438	160.0
151.31149291992188	164.0
151.4976043701172	144.0
151.55885314941406	180.0
151.99285888671875	160.0
152.05955505371094	372.0
152.1523895263672	176.0
152.8774871826172	156.0
152.9931640625	152.0
153.02517700195312	168.0
153.0643768310547	328.0
153.2862548828125	168.0
153.80416870117188	176.0
153.95230102539062	180.0
154.0758819580078	124.0
154.5431365966797	184.0
154.69155883789062	144.0
155.0804443359375	160.0
155.4152374267578	168.0
155.47230529785156	172.0
155.7379608154297	160.0
156.06349182128906	152.0
156.17291259765625	196.0
156.26744079589844	156.0
156.66578674316406	180.0
156.7180938720703	148.0
156.76295471191406	172.0
156.90003967285156	152.0
157.04217529296875	172.0
157.27920532226562	140.0
158.10147094726562	172.0
158.1665496826172	196.0
159.0458984375	336.0
159.97137451171875	224.0
160.0530242919922	400.0
160.59007263183594	96.0
161.09353637695312	140.0
162.05455017089844	168.0
162.64830017089844	152.0
162.66860961914062	156.0
163.03179931640625	184.0
163.0553436279297	152.0
163.25550842285156	172.0
163.3419952392578	140.0
164.05841064453125	176.0
164.8308868408203	176.0
164.8538818359375	184.0
165.06875610351562	1768.0
165.43841552734375	252.0
165.57273864746094	232.0
165.9135284423828	156.0
166.07579040527344	500.0
166.10606384277344	144.0
166.5319366455078	192.0
166.7503204345703	148.0
166.87884521484375	156.0
166.91741943359375	168.0
167.08421325683594	812.0
167.13348388671875	172.0
167.465576171875	164.0
168.04815673828125	172.0
168.08932495117188	288.0
168.56198120117188	160.0
168.58523559570312	176.0
170.4068145751953	200.0
170.5393524169922	164.0
170.96066284179688	144.0
171.01272583007812	144.0
171.40074157714844	168.0
171.4346923828125	144.0
171.70053100585938	196.0
172.00057983398438	192.0
172.23297119140625	208.0
172.31134033203125	148.0
172.44198608398438	208.0
172.7581024169922	168.0
172.8787384033203	160.0
172.8970489501953	160.0
173.05857849121094	1020.0
173.1143341064453	180.0
173.2976837158203	160.0
174.06613159179688	132.0
174.35255432128906	220.0
174.67332458496094	164.0
174.8706512451172	148.0
174.99700927734375	140.0
175.06898498535156	192.0
175.38690185546875	196.0
175.84054565429688	164.0
176.06747436523438	280.0
176.3872833251953	140.0
176.9428253173828	144.0
177.0196075439453	148.0
177.06936645507812	656.0
177.5496063232422	144.0
178.0769805908203	2064.0
178.79823303222656	144.0
179.08566284179688	1448.0
179.59486389160156	140.0
179.90171813964844	196.0
179.9684600830078	144.0
180.09136962890625	496.0
180.1206817626953	148.0
180.21685791015625	196.0
180.3184051513672	208.0
180.40126037597656	192.0
181.0655059814453	524.0
181.1006317138672	1300.0
181.6598663330078	156.0
181.69473266601562	176.0
182.1073760986328	296.0
182.8394012451172	212.0
182.94168090820312	160.0
183.12747192382812	240.0
183.18942260742188	200.0
183.31724548339844	136.0
183.53709411621094	132.0
183.56405639648438	176.0
183.62594604492188	224.0
183.98495483398438	160.0
184.1604766845703	180.0
185.0122528076172	140.0
186.16729736328125	188.0
186.59390258789062	276.0
187.0526580810547	188.0
188.0758056640625	236.0
188.3282012939453	160.0
188.8490447998047	172.0
188.96527099609375	164.0
189.0701904296875	3176.0
189.2485809326172	188.0
189.34715270996094	180.0
189.4138946533203	132.0
190.03245544433594	176.0
190.07797241210938	21644.0
190.423095703125	108.0
190.66189575195312	156.0
190.75196838378906	156.0
191.08258056640625	5220.0
191.1664276123047	144.0
191.3077392578125	104.0
192.06442260742188	176.0
192.08787536621094	808.0
192.13162231445312	160.0
192.20059204101562	140.0
192.47938537597656	160.0
192.6395721435547	148.0
192.91867065429688	168.0
193.10072326660156	232.0
193.5440216064453	120.0
193.82972717285156	156.0
193.92344665527344	180.0
194.07725524902344	284.0
194.10365295410156	152.0
194.33253479003906	236.0
194.6697235107422	160.0
194.9169464111328	224.0
195.08163452148438	932.0
195.11761474609375	308.0
195.49813842773438	208.0
196.0513916015625	184.0
196.0950927734375	192.0
196.1191864013672	176.0
196.855712890625	184.0
197.11830139160156	144.0
197.36148071289062	216.0
198.26002502441406	176.0
198.28245544433594	160.0
199.49781799316406	152.0
199.63711547851562	244.0
199.91970825195312	156.0
200.1392822265625	180.0
200.86920166015625	156.0
201.080810546875	164.0
202.02491760253906	160.0
202.07763671875	3296.0
202.3896484375	160.0
202.41796875	180.0
202.44061279296875	228.0
202.4668731689453	156.0
203.0344696044922	240.0
203.0860595703125	14464.0
203.26268005371094	160.0
203.69869995117188	172.0
204.029541015625	168.0
204.09295654296875	11716.0
204.16494750976562	96.0
204.19351196289062	160.0
204.2456512451172	168.0
204.5301055908203	152.0
204.62750244140625	252.0
204.8489532470703	144.0
205.0307159423828	160.0
205.06690979003906	648.0
205.10183715820312	71708.0
205.2268524169922	188.0
205.32138061523438	152.0
205.4309539794922	176.0
205.53477478027344	116.0
206.10523986816406	10316.0
206.26390075683594	168.0
206.42054748535156	100.0
206.48460388183594	196.0
206.8491668701172	164.0
206.99679565429688	132.0
207.0794219970703	648.0
207.11119079589844	960.0
207.45970153808594	152.0
207.48472595214844	124.0
207.71139526367188	144.0
207.90432739257812	120.0
208.08648681640625	708.0
209.05795288085938	160.0
209.0917510986328	164.0
209.18746948242188	160.0
209.84304809570312	128.0
209.9625244140625	160.0
210.06777954101562	2820.0
210.3404998779297	160.0
210.38101196289062	108.0
210.73324584960938	148.0
210.93475341796875	104.0
211.07144165039062	308.0
212.07876586914062	108.0
212.72862243652344	152.0
213.08001708984375	176.0
213.4293975830078	132.0
213.53515625	124.0
213.98741149902344	160.0
214.07640075683594	292.0
214.24952697753906	168.0
214.5846710205078	148.0
214.7056121826172	336.0
214.8549041748047	140.0
214.9747772216797	168.0
215.0858154296875	15668.0
215.37550354003906	216.0
215.89248657226562	144.0
216.08888244628906	3036.0
216.60694885253906	212.0
217.09243774414062	664.0
217.2019805908203	168.0
217.48072814941406	192.0
217.7201385498047	176.0
217.8105010986328	132.0
217.86634826660156	144.0
218.0728302001953	7328.0
218.2827606201172	140.0
218.30921936035156	212.0
218.63870239257812	196.0
218.88893127441406	144.0
219.07716369628906	1448.0
219.66403198242188	164.0
219.9673309326172	164.0
220.08311462402344	148.0
220.25735473632812	212.0
221.05844116210938	108.0
221.09185791015625	428.0
221.54412841796875	168.0
221.82508850097656	108.0
222.0998992919922	356.0
222.12513732910156	148.0
222.25270080566406	220.0
222.37733459472656	148.0
222.62814331054688	172.0
223.07579040527344	3892.0
223.11343383789062	1516.0
223.21063232421875	160.0
223.6240997314453	148.0
223.68516540527344	216.0
223.71791076660156	164.0
224.07875061035156	592.0
224.11099243164062	288.0
224.2689666748047	164.0
224.3613739013672	168.0
224.59994506835938	212.0
225.08596801757812	160.0
225.1225128173828	188.0
225.16702270507812	220.0
225.34326171875	216.0
226.15066528320312	140.0
226.17759704589844	172.0
226.37220764160156	148.0
226.9295196533203	188.0
227.16943359375	248.0
227.19644165039062	144.0
227.78781127929688	156.0
228.0642547607422	208.0
228.3778076171875	172.0
228.6512451171875	120.0
228.73802185058594	256.0
229.2138671875	152.0
229.74752807617188	140.0
230.11300659179688	116.0
230.3391876220703	192.0
230.44189453125	188.0
230.49024963378906	144.0
230.92613220214844	148.0
231.0826416015625	2296.0
231.1534881591797	164.0
231.80955505371094	148.0
231.84591674804688	160.0
232.0858612060547	1700.0
232.48883056640625	140.0
232.6473388671875	196.0
232.7067108154297	108.0
232.8592071533203	236.0
232.97463989257812	216.0
233.0968780517578	50692.0
233.29725646972656	160.0
233.41241455078125	96.0
233.474365234375	116.0
233.63735961914062	140.0
233.72537231445312	164.0
233.8164520263672	112.0
233.90419006347656	164.0
234.02484130859375	152.0
234.06346130371094	172.0
234.10060119628906	7924.0
234.3673858642578	184.0
234.45822143554688	220.0
234.89093017578125	180.0
235.07666015625	852.0
235.10617065429688	872.0
235.3950958251953	108.0
235.5952911376953	112.0
235.68923950195312	144.0
235.86888122558594	124.0
235.9340362548828	120.0
235.9649658203125	112.0
236.02305603027344	168.0
236.08383178710938	5348.0
236.4843292236328	156.0
236.64352416992188	140.0
237.0880126953125	1412.0
237.36968994140625	152.0
237.51077270507812	160.0
237.77769470214844	140.0
238.0914306640625	256.0
238.12351989746094	1172.0
239.0944061279297	192.0
239.1268310546875	636.0
239.2356414794922	220.0
239.52101135253906	176.0
240.12322998046875	124.0
240.9369354248047	148.0
241.7470245361328	148.0
242.37252807617188	264.0
243.0917205810547	416.0
243.4271697998047	220.0
243.4759521484375	180.0
244.34097290039062	268.0
245.0718231201172	108.0
245.45913696289062	140.0
246.07305908203125	236.0
246.74551391601562	208.0
247.073486328125	640.0
248.1061248779297	200.0
248.8414764404297	168.0
249.09085083007812	1448.0
249.13983154296875	144.0
249.4842987060547	156.0
249.51380920410156	160.0
249.56410217285156	140.0
249.89120483398438	176.0
250.09654235839844	768.0
250.27835083007812	184.0
250.30038452148438	156.0
250.35391235351562	180.0
250.38856506347656	180.0
250.74267578125	140.0
250.84413146972656	216.0
250.93890380859375	196.0
250.963623046875	160.0
250.989501953125	200.0
251.0402374267578	148.0
251.10821533203125	112968.0
251.2405548095703	116.0
251.41114807128906	148.0
251.55178833007812	112.0
251.57411193847656	296.0
251.62606811523438	440.0
251.69032287597656	144.0
251.75408935546875	160.0
252.01339721679688	292.0
252.11048889160156	16948.0
252.30340576171875	168.0
252.45562744140625	140.0
252.65806579589844	192.0
252.85740661621094	236.0
252.96522521972656	184.0
253.0636749267578	116.0
253.11154174804688	1736.0
253.3816375732422	200.0
253.41542053222656	168.0
253.4711456298828	104.0
253.5135955810547	196.0
253.5713348388672	220.0
253.6502685546875	136.0
253.7362518310547	152.0
253.87542724609375	164.0
254.0273895263672	216.0
254.09176635742188	224.0
254.7100372314453	168.0
254.7451629638672	120.0
256.13726806640625	220.0
256.2615051269531	168.0
256.8417053222656	228.0
256.9278259277344	156.0
258.2630615234375	188.0
258.38140869140625	156.0
258.42010498046875	128.0
258.58990478515625	152.0
258.8967590332031	160.0
260.6482238769531	160.0
261.65814208984375	148.0
261.8308410644531	208.0
262.32177734375	188.0
263.1153564453125	180.0
263.1896057128906	148.0
263.634521484375	164.0
264.10125732421875	120.0
264.2130432128906	152.0
265.1042785644531	216.0
265.2925720214844	228.0
265.4222412109375	168.0
265.5260009765625	172.0
265.8406982421875	160.0
265.97052001953125	164.0
266.045166015625	152.0
266.1182861328125	2940.0
266.27056884765625	268.0
266.3406677246094	140.0
266.4458923339844	124.0
266.85736083984375	168.0
267.0264587402344	144.0
267.08978271484375	340.0
267.12103271484375	992.0
267.1793518066406	168.0
267.21234130859375	300.0
267.52813720703125	156.0
267.6010437011719	140.0
267.6675109863281	180.0
267.7674255371094	224.0
267.81390380859375	136.0
267.848876953125	344.0
267.87811279296875	172.0
267.90655517578125	136.0
267.958251953125	400.0
268.0190124511719	168.0
268.05841064453125	436.0
268.0799560546875	492.0
268.1357116699219	187320.0
268.2231750488281	96.0
268.3624572753906	240.0
268.4198303222656	140.0
268.44891357421875	152.0
268.4969787597656	248.0
268.5590515136719	152.0
268.60870361328125	196.0
268.6706237792969	4920.0
268.7392272949219	132.0
268.916259765625	296.0
268.9568786621094	180.0
269.01336669921875	96.0
269.1375732421875	45996.0
269.2573547363281	188.0
269.3104553222656	164.0
269.3526611328125	120.0
269.3804931640625	128.0
269.54290771484375	132.0
269.62646484375	160.0
269.7408447265625	180.0
269.8369445800781	136.0
269.9857482910156	100.0
270.0155944824219	184.0
270.08123779296875	224.0
270.1410217285156	5492.0
270.3150939941406	112.0
270.38763427734375	236.0
270.4841613769531	100.0
270.55816650390625	184.0
270.6036682128906	120.0
270.7025146484375	200.0
270.75946044921875	128.0
270.79217529296875	176.0
270.8607482910156	196.0
270.89044189453125	188.0
270.90338134765625	244.0
270.9586181640625	176.0
271.0029296875	108.0
271.0562438964844	212.0
271.0852966308594	184.0
271.13848876953125	388.0
271.18377685546875	276.0
271.247314453125	164.0
272.0599365234375	120.0
272.2573547363281	100.0
272.73516845703125	184.0
273.18438720703125	104.0
278.09588623046875	148.0
280.9809265136719	140.0
284.9768981933594	112.0
286.14215087890625	148.0
477.31097412109375	164.0
517.4239501953125	180.0
536.0687255859375	96.0
579.263916015625	192.0
710.7002563476562	124.0
905.443359375	144.0
1049.21240234375	148.0
1253.2203369140625	140.0
1276.2449951171875	200.0
1287.760986328125	164.0
1340.091552734375	180.0
1355.0545654296875	212.0
1356.3297119140625	148.0
1361.7298583984375	172.0
1427.097900390625	160.0
1447.3720703125	180.0
1461.474853515625	160.0
1510.9630126953125	168.0
1527.4398193359375	172.0
1531.10693359375	128.0
1552.0875244140625	200.0
1552.8089599609375	200.0
1629.6636962890625	144.0
1630.089599609375	200.0
1633.5548095703125	164.0
1649.642333984375	164.0
1661.3358154296875	224.0
1677.102783203125	192.0
1678.51318359375	184.0
1680.258544921875	164.0
1681.03369140625	168.0
1685.2388916015625	208.0
1692.306396484375	184.0
1697.4593505859375	192.0
1698.7142333984375	216.0
1701.5125732421875	180.0
1703.6971435546875	200.0
1708.4322509765625	192.0
1708.9588623046875	176.0
1709.7652587890625	152.0
1716.5780029296875	160.0
1721.1658935546875	144.0
1723.296875	172.0
1726.8348388671875	156.0
1743.7564697265625	200.0
1746.749755859375	180.0
1770.2357177734375	176.0
1775.674560546875	152.0
1777.0167236328125	164.0
1779.778076171875	140.0
1783.4239501953125	172.0
1787.6121826171875	156.0
1788.54638671875	148.0
1792.32763671875	232.0
1795.4298095703125	212.0
1799.4462890625	140.0
1805.876953125	180.0
1812.700439453125	148.0
1817.01611328125	148.0
1821.1756591796875	208.0
1826.1817626953125	180.0
1845.7535400390625	152.0
1852.46337890625	252.0
1861.7349853515625	200.0
1862.6883544921875	248.0
1868.078125	176.0
1869.4375	220.0
1885.132080078125	200.0
1887.5438232421875	192.0
1891.1600341796875	164.0
1891.514892578125	144.0
1891.7313232421875	184.0
1896.6947021484375	160.0
1904.312744140625	168.0
1914.8016357421875	244.0
1915.1064453125	168.0
1917.1190185546875	204.0
1917.49365234375	168.0
1926.131591796875	184.0
1926.79541015625	156.0
1938.4674072265625	180.0
1953.0673828125	176.0
1964.306884765625	180.0
1973.0494384765625	164.0
1980.863525390625	144.0
1992.617919921875	164.0
1994.8218994140625	204.0
1997.302734375	196.0
1997.978759765625	212.0
1998.254638671875	180.0
1998.44140625	140.0
2000.7286376953125	184.0
2001.5032958984375	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079099
PEPMASS=299.154846
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003432_G2_H11_BD3_01_15725.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=O=C(CCNNC(=O)c1ccncc1)NCc2ccccc2
INCHI=InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)
INCHIAUX=NOIIUHRQUVNIDD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079099
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079099
SCANS=1032
48.6055793762207	176.0
51.38471221923828	184.0
53.464080810546875	176.0
56.12314987182617	204.0
60.50878143310547	196.0
61.47247314453125	140.0
65.0947036743164	148.0
67.70079040527344	144.0
68.69187927246094	176.0
70.2128677368164	180.0
72.1286392211914	168.0
75.61827850341797	232.0
82.61265563964844	164.0
86.57186889648438	152.0
88.12506866455078	184.0
91.05448913574219	1524.0
91.92816162109375	172.0
92.05796813964844	244.0
93.04876708984375	140.0
99.6581039428711	140.0
101.75901794433594	164.0
103.63298797607422	212.0
105.04710388183594	340.0
105.07384490966797	180.0
106.02953338623047	1252.0
106.07038879394531	152.0
107.03499603271484	340.0
107.06275939941406	168.0
108.08123016357422	892.0
110.740966796875	180.0
111.84539031982422	224.0
115.05059051513672	164.0
115.68335723876953	140.0
118.87542724609375	188.0
119.72105407714844	208.0
120.41020202636719	144.0
120.90647888183594	164.0
121.04013061523438	4068.0
121.30510711669922	144.0
122.04346466064453	708.0
122.0698471069336	272.0
123.05633544921875	2188.0
124.03628540039062	172.0
124.06623840332031	180.0
124.2314224243164	160.0
124.41339874267578	184.0
125.07805633544922	148.0
126.47982788085938	176.0
126.67015838623047	188.0
127.56999969482422	148.0
129.0783233642578	184.0
132.05618286132812	1208.0
132.9969024658203	156.0
133.0565948486328	288.0
135.0915069580078	188.0
137.05992126464844	584.0
137.732177734375	192.0
137.83262634277344	200.0
138.06654357910156	8204.0
139.06784057617188	228.0
139.40966796875	160.0
140.0753936767578	168.0
143.5882110595703	168.0
144.11099243164062	168.0
144.70652770996094	188.0
148.27647399902344	180.0
149.86570739746094	152.0
149.98268127441406	144.0
150.066650390625	9572.0
150.25717163085938	164.0
151.06967163085938	936.0
151.5099639892578	256.0
156.6584014892578	216.0
157.09963989257812	144.0
162.0911407470703	3672.0
163.0957489013672	432.0
164.04502868652344	160.0
164.0806884765625	432.0
165.0973663330078	172.0
174.0664825439453	244.0
176.07298278808594	164.0
176.12008666992188	600.0
177.0991668701172	308.0
177.1230010986328	164.0
177.93182373046875	148.0
178.1309814453125	172.0
179.12892150878906	180.0
187.8412628173828	148.0
190.06158447265625	424.0
191.93040466308594	220.0
191.9855499267578	176.0
192.03794860839844	148.0
192.07723999023438	12344.0
193.07925415039062	1720.0
197.3867645263672	156.0
198.0797882080078	96.0
199.10105895996094	340.0
201.0470733642578	140.0
201.0809326171875	184.0
205.9959716796875	176.0
206.23313903808594	156.0
208.09400939941406	160.0
212.89425659179688	152.0
220.5736541748047	172.0
221.64620971679688	264.0
222.1058349609375	188.0
223.10276794433594	212.0
225.2119598388672	144.0
228.11172485351562	1624.0
229.11668395996094	172.0
230.13397216796875	200.0
235.5274658203125	192.0
239.24710083007812	184.0
239.67520141601562	196.0
239.82313537597656	164.0
240.1142120361328	2420.0
241.00196838378906	144.0
241.1168975830078	328.0
269.5008544921875	204.0
271.19268798828125	176.0
279.22900390625	144.0
281.1392822265625	1152.0
282.131591796875	524.0
283.12872314453125	144.0
283.18060302734375	160.0
293.78802490234375	204.0
296.2151184082031	164.0
296.65716552734375	164.0
297.0274963378906	176.0
297.2384338378906	132.0
297.58343505859375	172.0
298.0196228027344	140.0
298.1480712890625	132.0
299.1512145996094	43860.0
299.2461242675781	100.0
299.28216552734375	168.0
299.6316223144531	144.0
300.15301513671875	5624.0
300.2330017089844	160.0
300.4041442871094	168.0
300.6245422363281	176.0
300.87139892578125	112.0
301.1521911621094	680.0
301.2449951171875	136.0
302.130859375	156.0
302.25341796875	172.0
316.534912109375	100.0
384.54754638671875	148.0
1112.8450927734375	248.0
1270.0887451171875	160.0
1286.126708984375	212.0
1376.9688720703125	140.0
1386.2901611328125	196.0
1417.7235107421875	192.0
1438.233154296875	148.0
1451.60888671875	140.0
1466.1131591796875	156.0
1591.176025390625	148.0
1611.4532470703125	180.0
1620.285888671875	144.0
1662.22119140625	156.0
1675.563720703125	160.0
1724.8101806640625	192.0
1725.4053955078125	208.0
1753.3785400390625	188.0
1760.5948486328125	212.0
1779.5860595703125	256.0
1811.2783203125	180.0
1820.4039306640625	168.0
1823.793701171875	188.0
1828.820556640625	140.0
1835.874755859375	176.0
1851.0941162109375	192.0
1856.6129150390625	152.0
1867.1846923828125	148.0
1888.4876708984375	180.0
1890.0015869140625	164.0
1892.40771484375	172.0
1903.9578857421875	208.0
1916.9197998046875	160.0
1940.2567138671875	144.0
1941.5894775390625	156.0
1948.400146484375	240.0
1965.4285888671875	148.0
1976.4293212890625	168.0
2003.2322998046875	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079100
PEPMASS=308.226715
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
INCHI=InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
INCHIAUX=NWIUTZDMDHAVTP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079100
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079100
SCANS=1091
48.28404235839844	148.0
49.05047607421875	168.0
49.557777404785156	144.0
50.207210540771484	148.0
50.277748107910156	160.0
50.42604064941406	164.0
50.65667724609375	164.0
50.8310661315918	140.0
50.98869705200195	220.0
51.230587005615234	156.0
51.277610778808594	140.0
51.48733139038086	160.0
51.82635498046875	184.0
53.7860221862793	156.0
53.87948226928711	256.0
55.860862731933594	164.0
56.947547912597656	164.0
57.24381637573242	204.0
57.52273941040039	228.0
57.87196731567383	188.0
59.99106216430664	188.0
60.27659225463867	172.0
62.080814361572266	148.0
62.7191276550293	152.0
64.11068725585938	164.0
64.72858428955078	164.0
65.21659851074219	160.0
65.43250274658203	188.0
66.536376953125	180.0
67.89068603515625	176.0
67.96614074707031	144.0
68.51199340820312	200.0
68.68507385253906	192.0
69.1659164428711	180.0
70.42962646484375	220.0
70.66700744628906	144.0
70.77245330810547	160.0
71.2924575805664	164.0
73.59455108642578	168.0
74.16593170166016	152.0
74.47649383544922	164.0
76.0650863647461	216.0
76.48399353027344	160.0
76.58150482177734	208.0
76.68429565429688	172.0
77.39354705810547	168.0
77.77045440673828	200.0
78.44414520263672	212.0
78.56314849853516	136.0
78.67346954345703	188.0
78.95264434814453	180.0
80.10811614990234	212.0
81.14464569091797	148.0
81.57011413574219	240.0
81.9336166381836	168.0
82.83143615722656	140.0
84.12069702148438	176.0
84.13347625732422	168.0
85.18462371826172	144.0
85.9763412475586	160.0
86.52716827392578	168.0
87.00362396240234	204.0
88.64122772216797	216.0
89.41681671142578	184.0
90.58558654785156	156.0
90.69358825683594	144.0
90.74666595458984	160.0
91.05597686767578	300.0
92.03096008300781	252.0
92.06150817871094	164.0
92.14555358886719	236.0
92.3558349609375	160.0
92.76177215576172	164.0
93.05529022216797	144.0
93.06903839111328	148.0
93.27236938476562	184.0
93.73040771484375	172.0
94.0737075805664	156.0
94.90367889404297	184.0
95.04914855957031	196.0
95.35986328125	164.0
95.4162368774414	216.0
95.99842071533203	156.0
96.26966857910156	152.0
97.60806274414062	168.0
98.09756469726562	2664.0
99.07847595214844	164.0
100.0794677734375	148.0
100.80752563476562	200.0
101.49411010742188	148.0
101.94576263427734	140.0
101.98193359375	196.0
102.5696792602539	172.0
102.68863677978516	140.0
103.04901885986328	152.0
103.0661392211914	204.0
103.35325622558594	164.0
104.69911193847656	268.0
105.07038116455078	1144.0
105.1149673461914	168.0
105.61754608154297	172.0
107.04871368408203	432.0
107.09024810791016	292.0
107.58202362060547	180.0
108.69343566894531	160.0
108.78890991210938	148.0
109.1254653930664	144.0
110.09548950195312	244.0
110.49571990966797	156.0
110.71549987792969	236.0
111.103271484375	160.0
111.21238708496094	144.0
111.47069549560547	220.0
111.89347076416016	180.0
111.94698333740234	220.0
112.7498550415039	176.0
113.08401489257812	192.0
113.60102844238281	140.0
113.6343002319336	180.0
113.65194702148438	140.0
113.91944885253906	156.0
114.08898162841797	196.0
114.50437927246094	164.0
114.84965515136719	144.0
114.86458587646484	248.0
115.05451202392578	280.0
115.11002349853516	140.0
115.28518676757812	208.0
115.52679443359375	196.0
116.03775024414062	116.0
116.10694122314453	6804.0
117.03987121582031	208.0
117.06983947753906	940.0
117.11106872558594	660.0
117.31779479980469	148.0
117.96973419189453	152.0
118.07351684570312	160.0
118.1124496459961	292.0
118.41763305664062	180.0
118.46961975097656	148.0
118.85987854003906	240.0
119.04438781738281	156.0
119.08618927001953	704.0
121.06527709960938	4044.0
121.60742950439453	176.0
122.06830596923828	488.0
123.07576751708984	208.0
125.02587890625	160.0
126.12863159179688	208.0
126.88042449951172	180.0
127.05310821533203	156.0
127.32695007324219	152.0
127.34491729736328	184.0
127.68203735351562	204.0
128.06207275390625	580.0
128.10694885253906	444.0
128.7525177001953	148.0
128.87449645996094	160.0
128.97845458984375	188.0
129.07199096679688	304.0
130.51097106933594	156.0
130.63833618164062	212.0
131.05169677734375	280.0
131.08685302734375	572.0
132.0574493408203	132.0
132.08912658691406	304.0
132.18980407714844	140.0
132.43475341796875	236.0
133.0655517578125	3064.0
133.3042449951172	192.0
133.86485290527344	108.0
134.06690979003906	440.0
134.1028289794922	140.0
135.079345703125	444.0
135.19984436035156	284.0
135.7627716064453	200.0
136.0796661376953	116.0
137.7738037109375	148.0
137.98648071289062	220.0
138.27886962890625	148.0
138.85520935058594	164.0
139.35520935058594	176.0
139.4633026123047	204.0
141.0692901611328	476.0
141.477783203125	196.0
142.0605010986328	172.0
142.07777404785156	440.0
143.08602905273438	524.0
143.72613525390625	144.0
143.7571563720703	176.0
143.85740661621094	248.0
144.05877685546875	812.0
144.0896759033203	136.0
144.39022827148438	164.0
144.88331604003906	184.0
145.06602478027344	800.0
145.0977783203125	148.0
145.19970703125	148.0
145.44444274902344	224.0
145.50205993652344	144.0
145.93931579589844	164.0
146.07208251953125	160.0
146.40855407714844	144.0
147.08282470703125	804.0
147.36859130859375	160.0
148.07666015625	432.0
148.9311065673828	156.0
149.0550079345703	140.0
149.0912628173828	200.0
149.8360137939453	144.0
150.0626678466797	172.0
150.30902099609375	204.0
150.91966247558594	196.0
151.07635498046875	652.0
151.25482177734375	160.0
151.65652465820312	168.0
151.68348693847656	160.0
151.8354949951172	176.0
151.86492919921875	216.0
152.00967407226562	140.0
152.0612030029297	148.0
152.1414337158203	164.0
152.26007080078125	140.0
153.08143615722656	140.0
154.5031280517578	140.0
155.0850372314453	164.0
155.1073455810547	152.0
155.4893035888672	152.0
155.71522521972656	172.0
156.0877227783203	112.0
156.40145874023438	152.0
156.8697509765625	212.0
157.06732177734375	312.0
157.1002655029297	176.0
158.0746612548828	248.0
158.10304260253906	376.0
159.08102416992188	2576.0
159.11770629882812	396.0
159.91812133789062	176.0
160.08584594726562	692.0
160.14976501464844	208.0
160.42694091796875	144.0
160.7926788330078	188.0
161.03504943847656	160.0
161.0648956298828	236.0
161.095947265625	2624.0
161.48240661621094	160.0
161.83668518066406	168.0
162.09823608398438	544.0
162.20655822753906	324.0
163.0807647705078	176.0
163.1114501953125	616.0
163.77175903320312	144.0
164.09030151367188	172.0
164.14894104003906	144.0
164.80238342285156	320.0
165.09295654296875	308.0
168.01422119140625	156.0
168.063232421875	148.0
169.07530212402344	116.0
169.09901428222656	240.0
169.96762084960938	188.0
170.0733184814453	148.0
170.25575256347656	140.0
170.5441436767578	152.0
171.08050537109375	652.0
171.11643981933594	156.0
171.61146545410156	144.0
172.0879669189453	444.0
173.1034393310547	188.0
173.38113403320312	140.0
174.0918426513672	256.0
174.3731689453125	196.0
175.07640075683594	280.0
175.11251831054688	904.0
176.06980895996094	144.0
176.1079864501953	664.0
177.09080505371094	3488.0
178.09600830078125	432.0
178.82974243164062	180.0
179.48509216308594	148.0
179.91998291015625	184.0
180.00274658203125	252.0
180.08750915527344	168.0
180.7003631591797	148.0
182.04591369628906	144.0
182.09693908691406	160.0
183.07774353027344	296.0
183.1018829345703	176.0
183.7281494140625	148.0
183.7821044921875	176.0
184.05471801757812	156.0
184.0888214111328	224.0
184.21136474609375	216.0
184.7547149658203	148.0
185.0962371826172	492.0
185.13636779785156	148.0
185.65667724609375	144.0
186.55267333984375	204.0
186.94932556152344	192.0
187.0823974609375	148.0
187.11373901367188	284.0
188.10523986816406	152.0
189.03329467773438	180.0
189.089599609375	632.0
189.1194610595703	156.0
189.22348022460938	144.0
189.7577362060547	196.0
190.06492614746094	180.0
190.10052490234375	168.0
191.09527587890625	144.0
191.49717712402344	176.0
192.09408569335938	172.0
192.6556854248047	184.0
192.67501831054688	152.0
193.4548797607422	164.0
194.11769104003906	200.0
195.11383056640625	276.0
195.25250244140625	156.0
195.70643615722656	204.0
196.07135009765625	208.0
196.12709045410156	140.0
196.52587890625	164.0
197.1066436767578	144.0
197.3917694091797	232.0
197.5194091796875	184.0
197.5483856201172	168.0
198.10952758789062	212.0
199.13206481933594	160.0
199.4102020263672	144.0
199.8798370361328	220.0
200.1387939453125	164.0
200.86671447753906	152.0
201.12452697753906	152.0
202.12213134765625	368.0
203.1064453125	240.0
203.4358367919922	132.0
204.1100311279297	140.0
205.12135314941406	396.0
205.4757843017578	164.0
206.11795043945312	148.0
206.44979858398438	180.0
207.10824584960938	176.0
207.14389038085938	116.0
207.48057556152344	152.0
208.9365997314453	192.0
210.0889434814453	184.0
210.19857788085938	164.0
210.35153198242188	228.0
211.0853729248047	148.0
211.1258544921875	152.0
211.6416473388672	128.0
211.94505310058594	196.0
212.1269989013672	716.0
212.4930419921875	156.0
212.8094024658203	148.0
213.1267852783203	752.0
213.70750427246094	156.0
213.94615173339844	188.0
214.1295928955078	392.0
215.14723205566406	148.0
216.11167907714844	192.0
216.1380157470703	156.0
217.4567413330078	208.0
217.55946350097656	144.0
217.83843994140625	164.0
218.1531982421875	1056.0
219.13999938964844	368.0
219.2919921875	140.0
219.6782684326172	232.0
219.8730010986328	144.0
219.94973754882812	168.0
220.12393188476562	200.0
220.18003845214844	152.0
220.4134063720703	144.0
221.84585571289062	152.0
221.9318389892578	148.0
222.4599151611328	168.0
222.58758544921875	224.0
222.95452880859375	160.0
224.0479278564453	172.0
224.12747192382812	184.0
224.2565155029297	192.0
224.31910705566406	140.0
224.64414978027344	140.0
225.1396026611328	152.0
225.4951171875	144.0
225.988525390625	184.0
227.33091735839844	176.0
227.5830535888672	156.0
228.3661346435547	280.0
230.16075134277344	148.0
230.2540740966797	144.0
231.01878356933594	168.0
231.1367645263672	1932.0
231.25177001953125	236.0
231.3698272705078	212.0
232.1439971923828	412.0
232.4943389892578	152.0
232.73414611816406	200.0
233.14459228515625	132.0
234.15362548828125	252.0
234.199951171875	152.0
234.43453979492188	144.0
235.34046936035156	168.0
235.41375732421875	160.0
236.1673583984375	272.0
236.43479919433594	168.0
237.1691131591797	388.0
238.83096313476562	144.0
241.1310272216797	160.0
241.46832275390625	204.0
241.81143188476562	144.0
244.14132690429688	196.0
244.31239318847656	164.0
245.06163024902344	176.0
246.17312622070312	144.0
248.1681671142578	276.0
249.14865112304688	168.0
249.63583374023438	160.0
249.98500061035156	156.0
250.177001953125	172.0
250.2305145263672	152.0
250.99615478515625	160.0
251.05291748046875	144.0
251.28317260742188	140.0
251.32102966308594	144.0
251.39361572265625	144.0
251.96510314941406	140.0
252.1573944091797	192.0
252.2621612548828	184.0
252.43289184570312	176.0
253.18289184570312	176.0
253.26522827148438	152.0
253.51234436035156	140.0
253.83885192871094	208.0
253.8832550048828	164.0
254.1739044189453	364.0
255.1767120361328	136.0
256.7856140136719	120.0
257.61993408203125	148.0
259.05560302734375	152.0
261.05584716796875	180.0
261.390380859375	164.0
261.43865966796875	144.0
261.6607360839844	196.0
263.0211181640625	200.0
263.85455322265625	164.0
264.4788818359375	144.0
264.5468444824219	152.0
265.8595275878906	148.0
266.0250549316406	168.0
266.17584228515625	2044.0
266.2608947753906	152.0
266.3335266113281	152.0
266.7411804199219	140.0
267.171142578125	224.0
268.18817138671875	160.0
269.1407470703125	144.0
269.6830139160156	152.0
269.77203369140625	124.0
269.8690185546875	116.0
271.26727294921875	140.0
271.4869384765625	148.0
271.8970031738281	172.0
272.0480041503906	144.0
272.4256591796875	168.0
273.32318115234375	156.0
274.59808349609375	176.0
275.6346435546875	168.0
275.9023742675781	156.0
276.5176086425781	168.0
278.37408447265625	144.0
280.34674072265625	156.0
281.31396484375	200.0
281.3503723144531	124.0
284.88372802734375	244.0
284.91729736328125	140.0
285.73760986328125	160.0
287.4662170410156	144.0
287.71728515625	136.0
288.533447265625	172.0
289.27252197265625	204.0
290.2108459472656	2012.0
290.7045593261719	200.0
291.1517333984375	188.0
291.2142028808594	252.0
292.0941467285156	140.0
293.2415771484375	176.0
294.2615051269531	176.0
294.9515686035156	208.0
295.1498718261719	148.0
295.2763977050781	184.0
296.13885498046875	156.0
296.8962707519531	156.0
297.8916320800781	160.0
299.2156066894531	184.0
300.8807678222656	160.0
301.5543518066406	152.0
301.83782958984375	196.0
303.2918395996094	188.0
303.3282470703125	184.0
303.9765930175781	164.0
304.57794189453125	184.0
305.00909423828125	184.0
305.56915283203125	208.0
305.5964660644531	168.0
305.7499694824219	96.0
306.080810546875	96.0
306.1214294433594	192.0
306.3612365722656	140.0
306.4590148925781	224.0
306.62530517578125	120.0
306.6793518066406	132.0
306.7850646972656	240.0
306.82318115234375	204.0
306.88116455078125	104.0
306.9296875	248.0
306.9769287109375	108.0
307.0707092285156	132.0
307.1150207519531	232.0
307.1551818847656	276.0
307.2332763671875	180.0
307.28009033203125	148.0
307.3631591796875	256.0
307.42529296875	332.0
307.4581298828125	132.0
307.49896240234375	160.0
307.60821533203125	204.0
307.7425231933594	348.0
307.8135986328125	192.0
307.8568420410156	116.0
307.956787109375	272.0
307.9837951660156	276.0
308.0266418457031	224.0
308.0605163574219	180.0
308.0949401855469	188.0
308.1589050292969	448.0
308.2249450683594	223568.0
308.3434753417969	348.0
308.4625549316406	108.0
308.4870300292969	296.0
308.5451354980469	416.0
308.5876770019531	404.0
308.63873291015625	228.0
308.6781005859375	140.0
308.7336730957031	232.0
308.75970458984375	308.0
308.79901123046875	6828.0
308.8443603515625	340.0
308.9367370605469	152.0
308.9828186035156	196.0
309.0177001953125	132.0
309.0929260253906	400.0
309.1326599121094	636.0
309.22674560546875	77804.0
309.35565185546875	136.0
309.46710205078125	108.0
309.5377502441406	116.0
309.5674743652344	152.0
309.59869384765625	216.0
309.6234130859375	244.0
309.709716796875	204.0
309.7855224609375	168.0
309.8193359375	124.0
309.9012145996094	176.0
310.032470703125	208.0
310.12225341796875	116.0
310.22808837890625	7540.0
310.2771911621094	304.0
310.44110107421875	176.0
310.57745361328125	192.0
310.6316833496094	104.0
310.8223876953125	208.0
310.9784851074219	204.0
311.03472900390625	104.0
311.0608825683594	292.0
311.0951232910156	96.0
311.1234436035156	312.0
311.2316589355469	540.0
311.3130187988281	296.0
311.3287658691406	184.0
311.3363037109375	340.0
311.3653869628906	208.0
311.396728515625	212.0
311.4265441894531	240.0
311.5209655761719	200.0
311.5464782714844	308.0
311.5920104980469	332.0
311.6544189453125	124.0
311.68719482421875	112.0
312.32550048828125	104.0
312.473876953125	176.0
313.5149841308594	240.0
320.9158935546875	116.0
321.1695861816406	148.0
322.50494384765625	152.0
324.9488830566406	168.0
325.23065185546875	140.0
389.4365539550781	164.0
390.1545104980469	112.0
430.1282958984375	176.0
444.2057800292969	148.0
797.4520874023438	164.0
845.1574096679688	100.0
1100.071044921875	140.0
1178.4013671875	144.0
1203.263671875	148.0
1228.3157958984375	200.0
1238.7542724609375	108.0
1337.6923828125	196.0
1345.7408447265625	200.0
1366.9755859375	156.0
1404.8514404296875	144.0
1449.0804443359375	200.0
1463.17626953125	180.0
1500.20947265625	220.0
1551.3468017578125	140.0
1555.30810546875	148.0
1559.00732421875	156.0
1570.6910400390625	160.0
1623.7757568359375	168.0
1716.3759765625	148.0
1738.910400390625	152.0
1741.9161376953125	244.0
1753.406494140625	160.0
1754.51513671875	156.0
1766.4150390625	160.0
1780.3448486328125	160.0
1789.2071533203125	176.0
1852.39892578125	148.0
1891.1727294921875	156.0
1893.822265625	184.0
1969.6690673828125	216.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079101
PEPMASS=311.157928
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=60628-96-8 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=c1cn(cn1)C(c2ccccc2)c3ccc(cc3)c4ccccc4
INCHI=InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
INCHIAUX=OCAPBUJLXMYKEJ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079101
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079101
SCANS=1268
45.04767990112305	144.0
45.104732513427734	144.0
45.16539764404297	184.0
45.18898391723633	204.0
45.296634674072266	136.0
45.33225631713867	148.0
45.48112487792969	156.0
45.59394454956055	156.0
45.63158416748047	184.0
45.68403244018555	144.0
45.72439956665039	140.0
46.05607604980469	160.0
46.157432556152344	240.0
46.325260162353516	164.0
46.44590377807617	148.0
47.00233459472656	172.0
47.17305374145508	140.0
47.352298736572266	176.0
47.56344985961914	180.0
47.59914779663086	192.0
47.68569564819336	192.0
47.84526062011719	160.0
48.19696044921875	164.0
48.38644790649414	200.0
48.77626419067383	140.0
49.067874908447266	168.0
49.24896240234375	148.0
49.3184814453125	172.0
49.44855880737305	140.0
49.94243621826172	152.0
50.10572814941406	192.0
50.36811447143555	184.0
50.49673843383789	156.0
50.51654052734375	168.0
50.72518539428711	164.0
50.87507247924805	164.0
50.984439849853516	140.0
51.0185546875	144.0
51.032772064208984	208.0
51.078277587890625	188.0
51.12807846069336	164.0
51.1494255065918	152.0
51.15938949584961	176.0
51.249114990234375	224.0
51.32608413696289	208.0
51.584495544433594	176.0
51.837825775146484	204.0
52.12653732299805	144.0
52.28012466430664	184.0
52.2930793762207	168.0
52.740203857421875	152.0
52.925376892089844	156.0
52.970272064208984	212.0
53.025333404541016	152.0
53.538169860839844	292.0
53.57604217529297	140.0
53.77581024169922	168.0
53.835670471191406	156.0
53.85319519042969	176.0
53.97303009033203	160.0
54.02129364013672	160.0
54.71323013305664	112.0
54.83032989501953	164.0
54.93206787109375	144.0
55.05162048339844	224.0
55.1949577331543	192.0
55.27890396118164	144.0
55.351806640625	144.0
55.66914367675781	172.0
55.71815872192383	192.0
55.860870361328125	168.0
55.941226959228516	160.0
56.136749267578125	192.0
56.19159698486328	148.0
56.26472473144531	180.0
56.45149612426758	160.0
56.46345901489258	204.0
56.93974685668945	140.0
57.003143310546875	192.0
57.01816940307617	244.0
57.07838439941406	144.0
57.173072814941406	180.0
57.22274398803711	212.0
57.31763458251953	144.0
57.80385971069336	168.0
58.149383544921875	152.0
58.290618896484375	144.0
58.41529083251953	212.0
58.43506622314453	164.0
58.457889556884766	164.0
58.56446075439453	144.0
58.59797286987305	204.0
58.610164642333984	152.0
58.63759231567383	208.0
58.738224029541016	148.0
59.000885009765625	164.0
59.0666389465332	180.0
59.16239547729492	160.0
59.3078727722168	132.0
59.48957443237305	148.0
59.63703536987305	148.0
59.995697021484375	148.0
60.028526306152344	192.0
60.21854019165039	144.0
60.34615707397461	164.0
60.46371841430664	140.0
60.51325225830078	156.0
60.5419921875	148.0
60.7078742980957	276.0
60.897830963134766	160.0
60.965057373046875	176.0
60.97706604003906	144.0
60.987945556640625	148.0
61.0252571105957	144.0
61.05946731567383	152.0
61.10613250732422	168.0
61.218204498291016	176.0
61.54566192626953	148.0
61.56439971923828	152.0
61.79887008666992	200.0
61.9366340637207	156.0
61.99967956542969	216.0
62.02671813964844	212.0
62.066707611083984	156.0
62.171810150146484	200.0
62.538002014160156	152.0
62.623023986816406	188.0
62.83583068847656	232.0
62.84687423706055	200.0
62.927371978759766	168.0
63.02610397338867	188.0
63.687496185302734	148.0
63.711585998535156	168.0
63.786563873291016	224.0
63.889373779296875	164.0
64.16169738769531	212.0
64.19475555419922	164.0
64.29728698730469	164.0
64.4505844116211	216.0
64.4825439453125	172.0
64.73050689697266	168.0
64.77375030517578	148.0
64.8410873413086	160.0
64.86669158935547	140.0
64.89225769042969	156.0
65.17161560058594	192.0
65.39183807373047	144.0
65.65276336669922	128.0
65.73760986328125	200.0
65.75455474853516	172.0
65.77391815185547	140.0
66.15217590332031	156.0
66.2768783569336	140.0
66.37251281738281	188.0
66.89283752441406	156.0
66.9770736694336	148.0
67.23141479492188	164.0
67.53857421875	160.0
67.57408905029297	140.0
67.5998306274414	136.0
67.69895935058594	160.0
67.72843933105469	232.0
67.81036376953125	156.0
68.1106185913086	172.0
68.21053314208984	144.0
68.38685607910156	164.0
68.40166473388672	140.0
68.48070526123047	188.0
68.5647964477539	192.0
68.93933868408203	192.0
69.10304260253906	148.0
69.31332397460938	160.0
69.65176391601562	140.0
69.67232513427734	212.0
69.73151397705078	140.0
69.7896957397461	144.0
69.82129669189453	188.0
69.89115905761719	156.0
70.54249572753906	148.0
70.57502746582031	188.0
70.60270690917969	116.0
70.90647888183594	180.0
70.94561004638672	208.0
71.14466094970703	224.0
71.6717300415039	172.0
71.69129943847656	244.0
71.8160629272461	180.0
72.14195251464844	220.0
72.21544647216797	156.0
72.42454528808594	156.0
72.61775970458984	152.0
73.1393814086914	176.0
73.21770477294922	184.0
73.2619857788086	172.0
73.43415069580078	140.0
73.79002380371094	148.0
73.80977630615234	184.0
73.8919448852539	144.0
74.02031707763672	140.0
74.03915405273438	208.0
74.15565490722656	144.0
74.2894058227539	160.0
74.39579772949219	152.0
74.577880859375	188.0
74.68791961669922	232.0
74.85145568847656	160.0
74.9151382446289	164.0
74.97889709472656	144.0
75.2566146850586	220.0
75.68909454345703	196.0
75.71312713623047	160.0
75.7685546875	180.0
75.9661865234375	204.0
76.56409454345703	184.0
76.63551330566406	180.0
77.02804565429688	140.0
77.0868148803711	200.0
77.23954772949219	164.0
77.42857360839844	180.0
77.73360443115234	188.0
77.74940490722656	164.0
77.78626251220703	176.0
77.9935302734375	188.0
78.06385803222656	156.0
78.10606384277344	160.0
78.153564453125	216.0
78.48294067382812	220.0
78.52349853515625	152.0
78.64347076416016	188.0
78.68407440185547	140.0
78.74764251708984	220.0
78.87309265136719	196.0
78.9420394897461	220.0
79.09950256347656	188.0
79.33155822753906	216.0
79.42021942138672	204.0
79.44205474853516	196.0
79.70782470703125	148.0
79.82869720458984	144.0
80.09345245361328	176.0
80.14732360839844	148.0
80.19900512695312	148.0
80.24179077148438	212.0
80.6327133178711	228.0
80.71025848388672	168.0
80.8121109008789	148.0
81.02099609375	140.0
81.17514038085938	148.0
81.20089721679688	132.0
81.4245834350586	164.0
81.45870971679688	164.0
81.67800903320312	212.0
81.87239074707031	232.0
81.96162414550781	152.0
82.13733673095703	140.0
82.3118896484375	176.0
82.55635070800781	160.0
82.81696319580078	156.0
82.9383544921875	220.0
82.99021911621094	132.0
83.04714965820312	184.0
83.10371398925781	152.0
83.24859619140625	172.0
83.38703918457031	216.0
83.41556549072266	120.0
83.87074279785156	212.0
83.87753295898438	204.0
83.93096923828125	156.0
84.3910903930664	248.0
84.4971694946289	180.0
84.78831481933594	160.0
84.97534942626953	148.0
85.00287628173828	180.0
85.05426025390625	160.0
85.11668395996094	156.0
85.45069885253906	132.0
85.60765838623047	156.0
85.72555541992188	176.0
85.86566162109375	140.0
86.2164306640625	164.0
86.50811004638672	160.0
86.6068115234375	148.0
86.66238403320312	176.0
86.7828598022461	160.0
87.04634094238281	160.0
87.41998291015625	164.0
87.47581481933594	148.0
87.5372543334961	148.0
87.65460968017578	272.0
87.67510986328125	148.0
87.71238708496094	140.0
87.82612609863281	192.0
88.0090103149414	192.0
88.4427261352539	140.0
88.72183227539062	140.0
88.74433135986328	224.0
88.89813995361328	220.0
88.94781494140625	156.0
89.00513458251953	144.0
89.02767181396484	160.0
89.34841918945312	192.0
89.38483428955078	180.0
89.71631622314453	156.0
89.87793731689453	248.0
90.23927307128906	180.0
90.51741790771484	188.0
90.54582214355469	248.0
90.82064056396484	168.0
90.92185974121094	172.0
90.93827819824219	156.0
90.99547576904297	180.0
91.05531311035156	4464.0
91.18708038330078	140.0
91.44384002685547	204.0
91.5337142944336	228.0
91.60948944091797	376.0
91.7009506225586	164.0
91.92217254638672	168.0
92.05754089355469	460.0
92.1111831665039	168.0
92.28126525878906	184.0
92.55296325683594	200.0
92.64105987548828	144.0
92.67745971679688	172.0
92.79149627685547	136.0
93.14363861083984	160.0
93.32813262939453	176.0
93.40505981445312	144.0
93.6475830078125	236.0
93.68032836914062	152.0
93.82100677490234	164.0
93.94056701660156	304.0
94.0081558227539	136.0
94.15288543701172	204.0
94.19151306152344	152.0
94.2320785522461	140.0
94.2715835571289	184.0
94.34654998779297	156.0
94.41764831542969	164.0
94.66728973388672	168.0
94.75445556640625	140.0
95.00065612792969	192.0
95.36287689208984	148.0
95.4618911743164	212.0
96.08035278320312	144.0
96.19548797607422	244.0
96.35953521728516	184.0
96.38883972167969	144.0
96.80354309082031	168.0
96.98377990722656	148.0
97.0719985961914	176.0
97.20931243896484	180.0
97.22697448730469	160.0
97.33887481689453	148.0
97.59430694580078	144.0
97.68477630615234	188.0
97.94758605957031	156.0
98.24423217773438	152.0
98.33255767822266	148.0
98.46671295166016	140.0
98.5008544921875	148.0
99.04481506347656	148.0
99.52076721191406	228.0
99.58828735351562	240.0
99.64192199707031	144.0
99.76712799072266	184.0
99.95209503173828	148.0
100.17308044433594	192.0
100.21492004394531	208.0
100.29862213134766	176.0
100.62178802490234	156.0
100.68168640136719	176.0
100.88349151611328	140.0
100.89948272705078	144.0
101.093505859375	148.0
101.20359802246094	160.0
101.21961212158203	168.0
101.49613189697266	168.0
101.51618194580078	168.0
101.61848449707031	148.0
101.87344360351562	140.0
102.0322036743164	148.0
102.14400482177734	168.0
102.52333068847656	152.0
102.60254669189453	160.0
102.72293853759766	168.0
102.77942657470703	152.0
102.85611724853516	164.0
102.9032974243164	156.0
102.94696807861328	188.0
103.14698791503906	160.0
103.18338012695312	148.0
103.254150390625	140.0
103.36946105957031	208.0
103.65497589111328	148.0
103.69550323486328	140.0
103.76036834716797	200.0
103.99567413330078	216.0
104.37557220458984	188.0
104.56928253173828	180.0
104.707275390625	156.0
104.88656616210938	140.0
104.9853744506836	196.0
105.10682678222656	216.0
105.194580078125	200.0
105.217041015625	172.0
105.28237915039062	188.0
105.37633514404297	144.0
105.6277847290039	180.0
105.64414978027344	172.0
105.65978240966797	192.0
105.7362289428711	200.0
106.26166534423828	152.0
106.48043823242188	184.0
106.54000854492188	240.0
106.5954818725586	168.0
106.66124725341797	148.0
106.76815795898438	244.0
106.85570526123047	164.0
107.08304595947266	144.0
107.3860092163086	164.0
107.44476318359375	108.0
107.5958023071289	156.0
107.8602294921875	148.0
108.99869537353516	160.0
109.01739501953125	204.0
109.04281616210938	172.0
109.27191925048828	196.0
109.30118560791016	236.0
109.52295684814453	168.0
109.60211944580078	144.0
109.77095794677734	188.0
109.99419403076172	160.0
110.05891418457031	176.0
110.16751098632812	140.0
110.24063873291016	180.0
110.28244018554688	140.0
110.4518051147461	148.0
110.56060028076172	196.0
111.24732208251953	188.0
111.52745819091797	180.0
111.74249267578125	140.0
111.81139373779297	220.0
111.88833618164062	216.0
112.00298309326172	152.0
112.09146881103516	168.0
112.1462631225586	168.0
112.26853942871094	168.0
112.43731689453125	148.0
112.76007843017578	116.0
112.78036499023438	188.0
113.08273315429688	156.0
113.1186294555664	208.0
113.1638412475586	188.0
113.23223114013672	156.0
113.38265228271484	140.0
113.5289306640625	156.0
113.58831787109375	204.0
113.8501205444336	136.0
114.04483032226562	164.0
114.2659912109375	164.0
114.3830337524414	140.0
114.46554565429688	232.0
114.53634643554688	148.0
114.78995513916016	156.0
114.85393524169922	140.0
115.00115966796875	148.0
115.05451965332031	15064.0
115.29375457763672	172.0
115.4305648803711	160.0
115.47761535644531	140.0
115.5439224243164	192.0
115.61881256103516	256.0
115.66804504394531	144.0
115.79008483886719	224.0
115.93354034423828	104.0
116.05841064453125	1580.0
116.62683868408203	236.0
116.8155746459961	136.0
116.87415313720703	156.0
116.96669006347656	256.0
116.9839096069336	160.0
117.01405334472656	208.0
117.05591583251953	280.0
117.19281005859375	196.0
117.37369537353516	200.0
117.87767791748047	120.0
117.95409393310547	148.0
118.05125427246094	328.0
118.532470703125	152.0
118.57667541503906	160.0
118.95321655273438	172.0
119.08566284179688	244.0
119.25948333740234	172.0
119.35295867919922	156.0
119.55961608886719	172.0
119.59661102294922	140.0
119.9189682006836	200.0
120.07157897949219	148.0
120.1682357788086	168.0
120.28321838378906	144.0
120.64035034179688	204.0
120.90393829345703	160.0
121.01995086669922	192.0
121.1097412109375	260.0
121.6557388305664	176.0
121.78529357910156	156.0
121.81604766845703	196.0
122.21836853027344	140.0
122.44391632080078	208.0
122.51544952392578	184.0
122.7227554321289	228.0
122.74480438232422	152.0
122.77752685546875	124.0
122.88883972167969	160.0
123.65398406982422	144.0
124.13126373291016	144.0
124.17339324951172	172.0
124.26434326171875	156.0
124.52184295654297	188.0
124.68180084228516	172.0
124.77738189697266	184.0
124.81962585449219	148.0
124.95974731445312	144.0
125.06565856933594	196.0
125.17074584960938	176.0
125.41338348388672	260.0
125.63925170898438	192.0
125.74188995361328	164.0
125.84457397460938	160.0
126.04113006591797	196.0
126.05677032470703	164.0
126.78182220458984	188.0
126.94097900390625	196.0
127.0531234741211	144.0
127.58312225341797	188.0
127.95882415771484	176.0
128.04736328125	164.0
128.2742156982422	212.0
128.648681640625	152.0
128.70738220214844	212.0
128.77964782714844	140.0
128.91067504882812	188.0
129.0643768310547	172.0
129.13449096679688	180.0
129.2181854248047	168.0
129.29737854003906	148.0
129.3539581298828	176.0
129.3992462158203	164.0
129.84336853027344	140.0
129.9386444091797	160.0
130.01124572753906	204.0
130.06527709960938	164.0
130.24737548828125	224.0
130.7953643798828	144.0
131.34918212890625	148.0
131.54074096679688	236.0
131.7942352294922	180.0
131.99537658691406	144.0
132.11431884765625	220.0
132.32028198242188	160.0
133.22386169433594	176.0
133.30886840820312	180.0
133.51116943359375	160.0
133.6307830810547	152.0
133.7987823486328	176.0
134.17430114746094	188.0
134.31036376953125	148.0
134.36341857910156	144.0
134.7143096923828	152.0
134.75820922851562	180.0
135.17208862304688	144.0
135.20912170410156	160.0
135.25772094726562	144.0
135.32626342773438	348.0
135.35264587402344	140.0
135.77207946777344	168.0
135.81614685058594	144.0
136.38035583496094	196.0
136.6477813720703	216.0
136.75250244140625	176.0
136.768798828125	164.0
136.96670532226562	172.0
137.0692138671875	140.0
137.1041717529297	240.0
137.1298065185547	180.0
137.43296813964844	144.0
137.66171264648438	152.0
137.69613647460938	116.0
137.8194580078125	120.0
137.87196350097656	156.0
138.14739990234375	140.0
138.32196044921875	180.0
138.62176513671875	108.0
138.98660278320312	168.0
139.0562286376953	248.0
139.20779418945312	156.0
139.29251098632812	184.0
139.36932373046875	148.0
139.44686889648438	148.0
139.6039581298828	196.0
139.64671325683594	216.0
139.7431640625	140.0
139.77845764160156	208.0
140.0539093017578	192.0
140.49942016601562	144.0
140.73544311523438	156.0
140.86871337890625	188.0
140.9645538330078	156.0
141.00001525878906	248.0
141.0260009765625	176.0
141.070068359375	8272.0
141.10874938964844	140.0
141.15194702148438	172.0
141.44703674316406	208.0
142.07418823242188	1824.0
142.4880828857422	164.0
142.76856994628906	152.0
142.8684539794922	180.0
142.95887756347656	160.0
143.077880859375	192.0
143.4566650390625	216.0
143.73092651367188	204.0
143.98004150390625	188.0
144.49310302734375	204.0
144.53378295898438	176.0
144.89627075195312	232.0
144.9144744873047	212.0
145.07745361328125	188.0
145.24771118164062	144.0
145.30767822265625	168.0
145.4123992919922	156.0
145.5452880859375	180.0
145.86000061035156	172.0
146.01629638671875	176.0
146.0475616455078	140.0
146.27374267578125	144.0
147.18988037109375	148.0
147.36135864257812	192.0
147.55628967285156	184.0
147.63853454589844	144.0
147.81593322753906	168.0
148.0784454345703	172.0
148.5548858642578	208.0
148.625244140625	164.0
149.17897033691406	192.0
149.4489288330078	208.0
149.50732421875	172.0
149.62660217285156	168.0
149.86770629882812	148.0
150.04075622558594	168.0
150.5995635986328	164.0
150.89035034179688	168.0
150.91969299316406	156.0
151.0811004638672	144.0
151.58056640625	140.0
151.61773681640625	144.0
151.6737060546875	216.0
151.79776000976562	120.0
151.92872619628906	148.0
152.0626983642578	980.0
152.3141326904297	192.0
152.44924926757812	184.0
153.00759887695312	168.0
153.06564331054688	184.0
153.1602783203125	296.0
153.2021484375	188.0
153.84825134277344	180.0
153.86553955078125	200.0
154.01370239257812	160.0
154.16441345214844	208.0
154.3349609375	188.0
155.27597045898438	204.0
155.31068420410156	204.0
155.4372100830078	152.0
155.79722595214844	176.0
155.86679077148438	184.0
155.94168090820312	176.0
155.97079467773438	136.0
156.1775360107422	144.0
156.2297821044922	184.0
156.2969512939453	212.0
156.3915252685547	172.0
156.46009826660156	212.0
156.69033813476562	144.0
157.07652282714844	380.0
157.7359619140625	172.0
157.8434600830078	204.0
157.8884735107422	180.0
158.07290649414062	132.0
158.1261444091797	148.0
158.35546875	148.0
158.54750061035156	164.0
158.63961791992188	180.0
158.81492614746094	136.0
158.9230194091797	156.0
158.9556427001953	192.0
159.0710906982422	144.0
159.11627197265625	196.0
159.15895080566406	204.0
159.2784423828125	152.0
159.4188995361328	172.0
159.50062561035156	200.0
159.5358123779297	192.0
159.59866333007812	140.0
159.87033081054688	164.0
160.31101989746094	188.0
160.4420928955078	144.0
160.46958923339844	216.0
160.53790283203125	164.0
160.7397003173828	164.0
160.94985961914062	172.0
161.21949768066406	164.0
161.3206024169922	188.0
161.70883178710938	160.0
161.73797607421875	176.0
161.81138610839844	196.0
162.02569580078125	96.0
162.08285522460938	132.0
162.13560485839844	144.0
162.2268524169922	144.0
162.3713836669922	168.0
162.6504669189453	164.0
163.05430603027344	384.0
163.09751892089844	172.0
163.2599639892578	148.0
163.36196899414062	256.0
163.47647094726562	156.0
163.899169921875	184.0
163.9679718017578	176.0
164.0665283203125	144.0
164.07308959960938	164.0
164.13185119628906	140.0
164.3480987548828	120.0
164.8096466064453	148.0
164.93017578125	188.0
164.97018432617188	164.0
164.99240112304688	212.0
165.07090759277344	103584.0
165.1317901611328	240.0
165.15931701660156	164.0
165.35008239746094	276.0
165.5035858154297	288.0
165.73956298828125	192.0
165.90032958984375	148.0
166.0750274658203	10612.0
166.1135711669922	184.0
166.1935577392578	132.0
166.37826538085938	172.0
166.3968048095703	204.0
166.43141174316406	280.0
166.5662384033203	104.0
166.94342041015625	148.0
167.07875061035156	1224.0
167.17942810058594	152.0
167.35911560058594	260.0
167.39447021484375	112.0
167.4246368408203	128.0
167.89344787597656	144.0
167.94903564453125	216.0
168.05552673339844	172.0
168.20262145996094	172.0
168.23843383789062	200.0
168.4418487548828	124.0
168.55477905273438	200.0
168.60089111328125	176.0
168.68431091308594	176.0
168.8485565185547	148.0
169.0675048828125	264.0
169.1046905517578	160.0
169.2056427001953	180.0
169.3610076904297	168.0
169.44390869140625	164.0
169.48712158203125	176.0
170.1337432861328	156.0
170.7235565185547	200.0
170.94207763671875	200.0
170.9829864501953	180.0
171.2388458251953	156.0
171.7177734375	148.0
171.87193298339844	108.0
172.151611328125	156.0
172.1751251220703	164.0
172.22735595703125	172.0
172.3971710205078	172.0
172.55303955078125	220.0
172.67428588867188	140.0
172.75799560546875	184.0
172.80007934570312	132.0
172.8521728515625	156.0
173.37066650390625	156.0
173.8951873779297	172.0
174.07369995117188	212.0
174.11911010742188	96.0
174.257568359375	160.0
174.61769104003906	168.0
174.76087951660156	148.0
175.20730590820312	168.0
175.2494659423828	156.0
175.31381225585938	180.0
175.47349548339844	232.0
175.4945831298828	180.0
175.59756469726562	160.0
175.82431030273438	156.0
175.94309997558594	240.0
176.91595458984375	188.0
177.03244018554688	152.0
177.44314575195312	152.0
177.7066650390625	184.0
177.75877380371094	164.0
177.84104919433594	168.0
178.07801818847656	1548.0
178.20628356933594	112.0
178.43145751953125	184.0
178.45204162597656	188.0
178.49191284179688	200.0
178.51759338378906	204.0
178.66934204101562	152.0
178.96287536621094	180.0
178.99896240234375	152.0
179.08139038085938	904.0
179.18392944335938	200.0
179.58912658691406	152.0
179.71505737304688	212.0
179.75985717773438	164.0
180.05380249023438	272.0
180.0960693359375	128.0
180.39016723632812	204.0
180.46389770507812	124.0
181.10728454589844	196.0
181.20907592773438	172.0
181.60044860839844	148.0
181.706298828125	296.0
181.75067138671875	160.0
181.86875915527344	212.0
181.88754272460938	256.0
182.0325164794922	164.0
182.2220458984375	128.0
182.63182067871094	164.0
182.68014526367188	104.0
182.74481201171875	148.0
182.97088623046875	168.0
183.08184814453125	624.0
183.101806640625	336.0
183.88197326660156	172.0
184.0731201171875	144.0
184.16546630859375	148.0
184.4248504638672	192.0
184.52719116210938	140.0
184.87025451660156	176.0
184.9868927001953	184.0
185.2041015625	152.0
185.2456817626953	160.0
185.3562469482422	148.0
186.1505889892578	192.0
186.43687438964844	196.0
186.54725646972656	152.0
186.959228515625	164.0
187.0460662841797	108.0
187.9171142578125	152.0
188.01438903808594	160.0
188.66763305664062	168.0
188.78314208984375	208.0
188.86776733398438	140.0
189.2974395751953	168.0
189.47821044921875	152.0
189.99087524414062	196.0
190.18020629882812	268.0
190.3888702392578	284.0
191.0859832763672	288.0
191.7975311279297	204.0
192.3574676513672	152.0
192.4128875732422	164.0
192.9044189453125	164.0
193.0762939453125	1088.0
193.1505126953125	196.0
193.3580322265625	140.0
194.08303833007812	132.0
194.2474365234375	160.0
194.3833770751953	180.0
194.50271606445312	184.0
194.74359130859375	180.0
195.06381225585938	176.0
195.1666717529297	188.0
195.47543334960938	144.0
195.6758270263672	200.0
195.9626922607422	140.0
196.0487060546875	260.0
196.16334533691406	140.0
196.22747802734375	148.0
196.8050079345703	192.0
196.88877868652344	160.0
197.0144805908203	148.0
197.07594299316406	164.0
197.31350708007812	284.0
197.503662109375	280.0
197.52883911132812	160.0
198.25958251953125	140.0
198.31065368652344	136.0
198.57803344726562	156.0
198.6521759033203	200.0
198.7395782470703	248.0
198.82608032226562	200.0
199.23040771484375	188.0
199.3821258544922	160.0
199.7318115234375	184.0
200.09378051757812	224.0
200.2350311279297	124.0
200.60086059570312	164.0
200.7305450439453	208.0
200.76156616210938	144.0
200.78976440429688	200.0
200.88458251953125	240.0
200.93080139160156	156.0
201.00416564941406	224.0
201.4078826904297	140.0
201.51522827148438	148.0
201.57455444335938	152.0
201.67630004882812	184.0
201.9402313232422	208.0
202.0784912109375	7336.0
202.18821716308594	168.0
202.25613403320312	156.0
202.37220764160156	140.0
202.4939727783203	168.0
202.554443359375	148.0
202.72911071777344	168.0
203.02394104003906	152.0
203.08338928222656	1596.0
203.2537078857422	184.0
203.36154174804688	168.0
203.44728088378906	216.0
203.54039001464844	152.0
203.7193145751953	140.0
204.08981323242188	656.0
205.02529907226562	152.0
205.09217834472656	132.0
205.1507110595703	204.0
205.2847137451172	152.0
205.88194274902344	200.0
206.0439453125	168.0
206.6327362060547	156.0
206.79542541503906	120.0
206.9333953857422	196.0
206.9534454345703	156.0
207.01358032226562	188.0
207.47499084472656	184.0
207.58668518066406	180.0
207.6497802734375	232.0
207.84710693359375	224.0
208.57142639160156	156.0
208.6260528564453	188.0
209.62188720703125	144.0
209.8256072998047	112.0
209.88131713867188	144.0
209.93898010253906	164.0
210.05723571777344	164.0
210.1896209716797	108.0
210.4615020751953	200.0
210.5970001220703	152.0
210.73855590820312	164.0
211.39492797851562	172.0
211.8321075439453	168.0
212.1102752685547	156.0
212.3451385498047	144.0
212.45826721191406	164.0
212.5511016845703	176.0
212.5714111328125	164.0
213.00827026367188	204.0
213.07298278808594	172.0
213.3759765625	140.0
213.7511749267578	296.0
213.7919158935547	164.0
213.9490966796875	164.0
214.0743865966797	120.0
214.33937072753906	156.0
214.59002685546875	176.0
215.08639526367188	29456.0
215.19674682617188	160.0
215.3856201171875	108.0
215.65260314941406	160.0
215.77244567871094	160.0
215.81045532226562	244.0
216.0897674560547	5084.0
216.19656372070312	156.0
216.25352478027344	200.0
216.32827758789062	156.0
216.47280883789062	120.0
216.56253051757812	188.0
216.88189697265625	144.0
216.9112091064453	148.0
217.03140258789062	204.0
217.09796142578125	1240.0
217.42239379882812	208.0
217.4500274658203	108.0
217.70924377441406	148.0
217.76434326171875	216.0
218.055908203125	164.0
218.1121368408203	212.0
218.16465759277344	156.0
218.3469696044922	148.0
219.23309326171875	168.0
219.40403747558594	144.0
219.75794982910156	196.0
219.90550231933594	256.0
220.04127502441406	168.0
220.1066131591797	124.0
220.342529296875	176.0
220.44297790527344	152.0
220.46517944335938	180.0
220.71493530273438	172.0
220.76519775390625	200.0
220.7888641357422	176.0
220.94561767578125	184.0
221.38368225097656	184.0
221.6917724609375	148.0
221.9022216796875	156.0
222.0439453125	196.0
222.0979461669922	220.0
222.68417358398438	200.0
222.814208984375	180.0
222.90834045410156	136.0
223.44064331054688	180.0
223.62216186523438	208.0
223.95263671875	180.0
224.16714477539062	156.0
225.023193359375	152.0
225.04408264160156	160.0
225.35171508789062	164.0
225.59461975097656	188.0
226.0785369873047	1072.0
226.1349334716797	96.0
226.3165283203125	152.0
226.35971069335938	144.0
226.4474639892578	184.0
226.4974822998047	216.0
226.89817810058594	140.0
227.0863494873047	6280.0
227.1519317626953	132.0
227.3407745361328	292.0
227.45399475097656	364.0
227.57408142089844	180.0
227.67617797851562	160.0
227.82774353027344	216.0
227.9241485595703	196.0
227.95755004882812	132.0
227.98089599609375	124.0
228.0378875732422	260.0
228.0943603515625	113276.0
228.19300842285156	176.0
228.35348510742188	152.0
228.4761505126953	112.0
228.54078674316406	104.0
228.5946044921875	108.0
228.66526794433594	200.0
228.78289794921875	184.0
228.93186950683594	180.0
229.09716796875	16904.0
229.42498779296875	140.0
229.76377868652344	172.0
230.00704956054688	116.0
230.0529022216797	144.0
230.0988311767578	1824.0
230.40797424316406	132.0
230.60353088378906	128.0
230.6795654296875	128.0
230.76019287109375	124.0
230.82260131835938	200.0
230.86512756347656	224.0
230.9852294921875	196.0
231.10296630859375	168.0
231.19285583496094	252.0
231.25953674316406	108.0
231.42132568359375	144.0
231.58787536621094	228.0
231.7454071044922	148.0
231.83851623535156	132.0
231.91493225097656	144.0
231.94541931152344	144.0
232.0511016845703	160.0
232.1295166015625	160.0
232.4427947998047	164.0
232.74440002441406	120.0
233.10842895507812	96.0
233.22935485839844	148.0
233.28407287597656	148.0
233.4446563720703	260.0
233.5577392578125	144.0
233.937744140625	168.0
234.1116485595703	168.0
234.51380920410156	156.0
235.30691528320312	184.0
235.76510620117188	176.0
236.37234497070312	116.0
236.75015258789062	184.0
236.8019561767578	136.0
236.8297882080078	156.0
236.90213012695312	188.0
237.58999633789062	356.0
237.71578979492188	144.0
238.06919860839844	156.0
238.09951782226562	152.0
238.33912658691406	192.0
238.4190216064453	192.0
238.57725524902344	152.0
238.75411987304688	144.0
239.02174377441406	156.0
239.05101013183594	172.0
239.08570861816406	900.0
239.1500701904297	188.0
239.2279510498047	140.0
239.6868438720703	168.0
239.9329376220703	284.0
240.05982971191406	148.0
240.0933074951172	984.0
240.42076110839844	212.0
240.56272888183594	144.0
240.623779296875	196.0
240.69387817382812	192.0
240.7387237548828	148.0
240.9154815673828	244.0
241.1023712158203	40060.0
241.190673828125	168.0
241.24664306640625	112.0
241.39630126953125	196.0
241.44285583496094	164.0
241.563720703125	172.0
241.62950134277344	144.0
241.65985107421875	212.0
241.72447204589844	108.0
241.7565460205078	368.0
241.8138427734375	212.0
241.9260711669922	220.0
241.9706268310547	288.0
242.0067901611328	196.0
242.05810546875	268.0
242.10855102539062	22496.0
242.19593811035156	320.0
242.2270965576172	292.0
242.27247619628906	152.0
242.33177185058594	324.0
242.37025451660156	256.0
242.4128875732422	156.0
242.44126892089844	212.0
242.4888153076172	256.0
242.55433654785156	288.0
242.5817108154297	280.0
242.6179962158203	236.0
242.64584350585938	172.0
242.70706176757812	272.0
242.7380828857422	328.0
242.78421020507812	396.0
242.84866333007812	316.0
242.8846435546875	212.0
242.91720581054688	380.0
242.94058227539062	432.0
243.00912475585938	860.0
243.08193969726562	1196.0
243.11973571777344	417908.0
243.2181396484375	144.0
243.23822021484375	324.0
243.3314208984375	428.0
243.40872192382812	740.0
243.44085693359375	496.0
243.49118041992188	432.0
243.59432983398438	832.0
243.6291961669922	15800.0
243.7128448486328	340.0
243.7847137451172	236.0
243.8146514892578	240.0
243.82510375976562	136.0
243.83633422851562	300.0
243.86465454101562	164.0
243.87391662597656	184.0
243.95211791992188	260.0
244.07984924316406	508.0
244.12147521972656	180280.0
244.20156860351562	396.0
244.2473907470703	176.0
244.30165100097656	172.0
244.32977294921875	128.0
244.36892700195312	236.0
244.3942413330078	256.0
244.4261016845703	276.0
244.48028564453125	260.0
244.63182067871094	304.0
244.68679809570312	324.0
244.7244415283203	128.0
244.7552490234375	152.0
244.83917236328125	120.0
245.0214385986328	236.0
245.0497283935547	100.0
245.0796661376953	156.0
245.12396240234375	15008.0
245.25811767578125	116.0
245.33396911621094	232.0
245.36378479003906	212.0
245.38882446289062	308.0
245.41372680664062	296.0
245.47825622558594	176.0
245.51637268066406	176.0
245.5514373779297	312.0
245.5854034423828	312.0
245.64117431640625	232.0
245.67822265625	584.0
245.76144409179688	184.0
245.7996063232422	400.0
245.83021545410156	256.0
245.87899780273438	372.0
245.94039916992188	308.0
245.96910095214844	256.0
246.0286102294922	576.0
246.07510375976562	224.0
246.12965393066406	1092.0
246.1675262451172	184.0
246.21109008789062	100.0
246.386474609375	96.0
246.43873596191406	172.0
246.55410766601562	176.0
246.5990753173828	120.0
246.6420135498047	156.0
246.7229766845703	124.0
246.74586486816406	180.0
246.7771453857422	192.0
246.83416748046875	108.0
246.8851776123047	216.0
246.95225524902344	116.0
246.9956512451172	232.0
247.07662963867188	120.0
247.22317504882812	148.0
247.43646240234375	132.0
247.485595703125	176.0
247.6802978515625	116.0
247.87416076660156	108.0
248.62118530273438	160.0
249.57708740234375	104.0
249.78170776367188	204.0
250.8826904296875	144.0
250.9079132080078	184.0
252.7998809814453	148.0
253.11447143554688	104.0
253.17025756835938	164.0
254.29385375976562	108.0
254.38165283203125	108.0
254.5232696533203	120.0
255.4713897705078	148.0
255.9073944091797	156.0
259.8426513671875	180.0
260.0727844238281	152.0
261.09613037109375	124.0
261.8621826171875	124.0
267.8765563964844	144.0
294.6406555175781	160.0
309.1324157714844	140.0
309.25140380859375	220.0
310.21368408203125	124.0
311.1161193847656	124.0
311.1556396484375	628.0
312.1542663574219	140.0
313.16058349609375	192.0
354.8168029785156	108.0
374.3606262207031	124.0
425.15240478515625	144.0
441.4559326171875	96.0
519.7025146484375	152.0
523.4387817382812	160.0
527.4443969726562	140.0
568.667724609375	192.0
693.9063720703125	112.0
717.3776245117188	148.0
786.2901000976562	144.0
836.4703369140625	120.0
893.8899536132812	216.0
906.0582885742188	148.0
1074.86865234375	144.0
1099.4376220703125	152.0
1109.4583740234375	140.0
1118.4393310546875	184.0
1170.2919921875	176.0
1261.19189453125	268.0
1285.2452392578125	152.0
1291.17431640625	184.0
1324.6943359375	220.0
1331.4178466796875	148.0
1338.0784912109375	140.0
1359.78125	144.0
1404.210205078125	148.0
1423.7208251953125	152.0
1438.7120361328125	200.0
1439.0291748046875	144.0
1449.5125732421875	152.0
1465.5755615234375	272.0
1472.70068359375	164.0
1487.6551513671875	224.0
1497.7515869140625	216.0
1503.8118896484375	176.0
1505.9969482421875	204.0
1515.72900390625	196.0
1522.4234619140625	156.0
1527.638671875	160.0
1536.7069091796875	172.0
1545.4342041015625	184.0
1569.8394775390625	220.0
1572.6954345703125	156.0
1577.1580810546875	148.0
1579.316650390625	232.0
1581.7615966796875	224.0
1597.4971923828125	148.0
1607.0972900390625	208.0
1608.3980712890625	164.0
1610.3382568359375	200.0
1610.9053955078125	196.0
1624.361572265625	212.0
1637.342041015625	212.0
1640.202392578125	188.0
1640.8714599609375	204.0
1641.056884765625	180.0
1645.510498046875	204.0
1649.34765625	172.0
1662.5491943359375	144.0
1665.9267578125	160.0
1680.9727783203125	148.0
1697.6278076171875	196.0
1700.8438720703125	156.0
1706.742431640625	160.0
1710.1893310546875	148.0
1717.0606689453125	228.0
1731.2337646484375	152.0
1740.944580078125	148.0
1745.0909423828125	160.0
1748.2684326171875	164.0
1752.9984130859375	176.0
1756.87548828125	160.0
1761.433349609375	148.0
1767.7120361328125	156.0
1777.3482666015625	184.0
1778.7666015625	156.0
1790.25146484375	192.0
1796.6910400390625	284.0
1798.8935546875	196.0
1810.6632080078125	168.0
1812.9844970703125	160.0
1813.1201171875	224.0
1821.03564453125	160.0
1825.063720703125	164.0
1830.9266357421875	144.0
1832.51953125	148.0
1833.6103515625	148.0
1838.1129150390625	192.0
1845.11669921875	176.0
1866.027099609375	184.0
1866.663330078125	172.0
1874.54833984375	156.0
1875.5567626953125	176.0
1880.5506591796875	152.0
1881.8455810546875	172.0
1882.044189453125	172.0
1886.337890625	204.0
1888.759033203125	216.0
1889.71923828125	156.0
1890.3076171875	180.0
1890.8961181640625	148.0
1894.23828125	140.0
1902.007568359375	164.0
1903.20556640625	164.0
1904.1087646484375	152.0
1904.6385498046875	164.0
1909.63623046875	140.0
1910.8541259765625	148.0
1910.9498291015625	184.0
1919.0323486328125	144.0
1919.555419921875	184.0
1919.66015625	164.0
1920.5758056640625	188.0
1926.1185302734375	184.0
1934.7144775390625	148.0
1935.3760986328125	160.0
1935.8614501953125	164.0
1936.84228515625	176.0
1939.2518310546875	148.0
1943.579345703125	144.0
1945.25146484375	184.0
1948.0877685546875	140.0
1957.9124755859375	172.0
1960.8109130859375	152.0
1961.3045654296875	160.0
1962.106689453125	164.0
1962.935546875	184.0
1966.2259521484375	156.0
1978.052001953125	144.0
1981.5943603515625	140.0
1983.36669921875	180.0
1989.0523681640625	192.0
1993.857421875	168.0
1997.7252197265625	184.0
1998.0721435546875	212.0
2001.267333984375	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079102
PEPMASS=338.156677
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=LINEZOLID [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2
INCHI=InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
INCHIAUX=TYZROVQLWOKYKF-ZDUSSCGKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079102
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079102
SCANS=1070
45.24248123168945	144.0
45.67588424682617	128.0
46.210147857666016	252.0
46.5146369934082	172.0
46.69034194946289	192.0
49.0030632019043	140.0
49.62221908569336	156.0
50.10991668701172	144.0
51.187828063964844	172.0
51.49015426635742	168.0
51.63203430175781	204.0
51.78191375732422	152.0
51.89081954956055	152.0
52.61015319824219	180.0
52.692474365234375	144.0
53.15290451049805	176.0
53.606597900390625	184.0
53.96128845214844	176.0
54.03295135498047	172.0
54.43015670776367	148.0
54.90400314331055	160.0
55.283668518066406	144.0
55.78944778442383	144.0
56.20647430419922	152.0
56.44546890258789	184.0
56.69845962524414	172.0
56.78541564941406	184.0
56.97004318237305	144.0
58.37569808959961	180.0
58.962623596191406	192.0
59.1476936340332	164.0
59.195152282714844	160.0
59.397457122802734	156.0
59.40819549560547	160.0
60.57670211791992	200.0
60.69138717651367	180.0
61.583091735839844	160.0
61.830116271972656	140.0
61.97418212890625	192.0
62.27852249145508	188.0
62.36336898803711	176.0
63.46368408203125	156.0
64.13933563232422	224.0
64.6328125	180.0
64.80574035644531	180.0
64.90030670166016	152.0
65.33394622802734	144.0
65.9159927368164	144.0
66.18126678466797	208.0
66.30599975585938	232.0
67.23136138916016	176.0
67.30155181884766	180.0
67.87916564941406	208.0
69.0020980834961	168.0
70.42623901367188	168.0
70.77742767333984	144.0
70.90809631347656	140.0
71.22399139404297	144.0
71.73506927490234	196.0
72.10133361816406	144.0
72.16910552978516	132.0
72.51566314697266	152.0
73.335205078125	196.0
73.34883880615234	184.0
73.47673797607422	188.0
73.85939025878906	188.0
74.37686157226562	188.0
75.1374740600586	180.0
75.54344940185547	260.0
76.09455108642578	208.0
77.39349365234375	164.0
77.71600341796875	160.0
78.32427215576172	164.0
78.85535430908203	140.0
78.94551849365234	144.0
78.97624206542969	108.0
79.20745849609375	228.0
79.4928970336914	140.0
79.50887298583984	144.0
80.62907409667969	164.0
80.9757080078125	160.0
81.21990966796875	148.0
81.25579071044922	140.0
81.32936096191406	160.0
81.79850769042969	144.0
81.84212493896484	176.0
82.56893920898438	172.0
83.01625061035156	144.0
84.41114044189453	168.0
85.05052185058594	220.0
86.55118560791016	144.0
86.86253356933594	168.0
87.22834777832031	196.0
88.12847900390625	180.0
90.23731231689453	232.0
91.01603698730469	160.0
91.29157257080078	156.0
91.51800537109375	144.0
91.88966369628906	156.0
92.01181030273438	192.0
92.3576889038086	188.0
92.3749008178711	144.0
92.5050277709961	212.0
93.03987121582031	196.0
93.86528015136719	156.0
93.9752197265625	156.0
94.30157470703125	160.0
94.60719299316406	160.0
95.37938690185547	160.0
95.81903839111328	212.0
97.05035400390625	144.0
98.0584945678711	152.0
99.09030151367188	148.0
100.05152893066406	272.0
101.03939819335938	168.0
101.65050506591797	160.0
101.75286865234375	152.0
102.55348205566406	156.0
102.70672607421875	148.0
102.84998321533203	164.0
103.05799102783203	244.0
103.4260482788086	164.0
103.71366882324219	188.0
104.05852508544922	140.0
105.40077209472656	148.0
105.5152359008789	172.0
106.0372085571289	176.0
106.19507598876953	160.0
106.77630615234375	156.0
107.38180541992188	180.0
107.4540023803711	200.0
107.64389038085938	152.0
108.03659057617188	152.0
109.04640197753906	160.0
109.43956756591797	160.0
109.70623779296875	152.0
110.1152114868164	220.0
111.04446411132812	320.0
111.4054946899414	236.0
112.5765609741211	156.0
112.69273376464844	160.0
113.02680206298828	156.0
114.03623962402344	144.0
114.07450103759766	160.0
114.1382827758789	156.0
115.05594635009766	220.0
115.29366302490234	252.0
115.37702178955078	168.0
115.9271011352539	172.0
116.04914855957031	136.0
116.0745620727539	340.0
116.37969970703125	156.0
116.5794677734375	156.0
116.72994232177734	216.0
117.05912017822266	296.0
117.24287414550781	116.0
117.35673522949219	124.0
117.60460662841797	236.0
118.06912231445312	160.0
118.12535095214844	156.0
118.40239715576172	176.0
118.48687744140625	192.0
118.66893005371094	140.0
119.13987731933594	148.0
119.90361785888672	180.0
120.19146728515625	216.0
121.3369369506836	144.0
121.73249053955078	160.0
121.95658111572266	144.0
122.04011535644531	312.0
123.04864501953125	144.0
124.05469512939453	356.0
124.36632537841797	176.0
124.78839874267578	168.0
125.02863311767578	164.0
125.05388641357422	208.0
126.07455444335938	200.0
126.89603424072266	156.0
126.97900390625	140.0
127.0647201538086	208.0
127.47513580322266	192.0
127.54705047607422	188.0
127.62574005126953	148.0
128.26058959960938	156.0
129.03488159179688	208.0
129.29556274414062	200.0
129.48745727539062	156.0
130.0679168701172	144.0
130.77249145507812	172.0
131.0638885498047	304.0
132.0816192626953	140.0
133.64907836914062	152.0
134.03724670410156	264.0
134.07797241210938	220.0
134.8852081298828	188.0
135.04815673828125	3656.0
135.4706573486328	144.0
135.9575653076172	180.0
136.05592346191406	1848.0
136.1107635498047	192.0
136.9363250732422	196.0
137.06161499023438	964.0
137.1147918701172	152.0
137.37686157226562	192.0
138.0671844482422	668.0
138.15945434570312	144.0
138.40753173828125	152.0
138.54571533203125	188.0
138.57852172851562	180.0
139.06689453125	464.0
139.50668334960938	116.0
139.9643096923828	144.0
140.04908752441406	168.0
140.07354736328125	156.0
140.1692352294922	164.0
140.71644592285156	192.0
141.05189514160156	196.0
142.05091857910156	148.0
142.06585693359375	252.0
142.6614532470703	208.0
143.06735229492188	452.0
143.2301788330078	156.0
143.38504028320312	140.0
144.0411834716797	156.0
144.0799560546875	420.0
144.76107788085938	176.0
144.88082885742188	144.0
145.07896423339844	124.0
145.16481018066406	116.0
145.87911987304688	164.0
146.04205322265625	308.0
146.08111572265625	176.0
146.29769897460938	152.0
146.48678588867188	160.0
146.6373291015625	172.0
146.90496826171875	180.0
146.94357299804688	148.0
147.05148315429688	188.0
147.09149169921875	340.0
147.75048828125	180.0
148.01724243164062	148.0
148.0563201904297	9672.0
148.2735137939453	160.0
148.63482666015625	184.0
148.80047607421875	112.0
149.0618133544922	6888.0
149.10594177246094	144.0
149.33934020996094	156.0
149.37806701660156	100.0
150.0357666015625	160.0
150.069580078125	1820.0
150.09915161132812	180.0
150.86822509765625	160.0
151.03451538085938	180.0
151.06814575195312	3844.0
151.37713623046875	156.0
152.07412719726562	1648.0
152.11892700195312	124.0
152.45159912109375	164.0
152.72203063964844	148.0
153.02224731445312	144.0
153.0569305419922	160.0
153.08396911621094	2712.0
153.50271606445312	204.0
154.08847045898438	540.0
154.1761474609375	180.0
154.30023193359375	156.0
154.37193298339844	200.0
154.7257537841797	216.0
154.96351623535156	200.0
155.0653839111328	296.0
156.0690155029297	952.0
156.1575164794922	140.0
157.07705688476562	1332.0
157.12899780273438	148.0
157.5159454345703	152.0
158.0609588623047	140.0
158.08482360839844	300.0
158.25369262695312	152.0
158.42147827148438	176.0
159.09033203125	424.0
159.63877868652344	192.0
160.02627563476562	148.0
160.0541229248047	424.0
160.55795288085938	192.0
160.88597106933594	168.0
161.054443359375	860.0
161.9581298828125	180.0
162.01638793945312	168.0
162.0710906982422	4920.0
162.11520385742188	140.0
162.13548278808594	140.0
162.92459106445312	164.0
162.9474639892578	172.0
163.0675048828125	8764.0
163.12281799316406	152.0
163.33717346191406	160.0
163.38694763183594	120.0
163.617431640625	120.0
163.7232666015625	176.0
163.8684539794922	188.0
164.0745849609375	1712.0
164.5647430419922	180.0
164.9998779296875	264.0
165.04598999023438	160.0
165.0828857421875	6176.0
165.70799255371094	140.0
165.96685791015625	176.0
166.08737182617188	784.0
166.6033477783203	144.0
167.0709228515625	160.0
167.09664916992188	1064.0
167.2590789794922	160.0
168.06944274902344	176.0
168.90274047851562	168.0
168.94154357910156	172.0
168.98292541503906	148.0
169.07684326171875	4468.0
169.3656005859375	224.0
169.75221252441406	140.0
170.0549774169922	164.0
170.08102416992188	1024.0
170.87689208984375	144.0
171.09323120117188	1364.0
171.3119659423828	132.0
171.94003295898438	144.0
171.96612548828125	144.0
172.05612182617188	1160.0
172.0994873046875	308.0
172.75262451171875	188.0
172.888671875	160.0
173.0613555908203	336.0
173.16094970703125	160.0
173.52517700195312	264.0
174.0596160888672	4184.0
174.12608337402344	212.0
174.588623046875	156.0
174.65701293945312	168.0
175.06756591796875	1168.0
175.5376434326172	148.0
176.0752716064453	1068.0
176.2572479248047	140.0
177.04754638671875	868.0
177.08238220214844	4328.0
177.95599365234375	96.0
178.03346252441406	200.0
178.0541534423828	588.0
178.0903778076172	896.0
178.1903533935547	148.0
178.27645874023438	260.0
179.05740356445312	472.0
179.0966796875	2196.0
179.22909545898438	140.0
180.09512329101562	592.0
180.1628875732422	184.0
180.28985595703125	208.0
180.33389282226562	204.0
180.4925994873047	96.0
181.08787536621094	2644.0
181.34291076660156	180.0
182.08905029296875	792.0
182.15591430664062	168.0
182.23382568359375	160.0
183.05979919433594	280.0
183.09083557128906	272.0
184.09861755371094	284.0
184.4598388671875	144.0
185.07525634765625	332.0
185.10755920410156	1404.0
186.10752868652344	416.0
186.6368408203125	204.0
186.84625244140625	140.0
187.06680297851562	2080.0
187.09744262695312	336.0
187.51882934570312	180.0
188.0750274658203	460.0
188.1372528076172	228.0
188.60513305664062	156.0
189.08309936523438	7816.0
189.1409912109375	172.0
189.49176025390625	156.0
190.0590362548828	116.0
190.09046936035156	3848.0
191.055908203125	144.0
191.09814453125	9824.0
192.10247802734375	1180.0
192.234130859375	120.0
193.07955932617188	252.0
193.12271118164062	156.0
193.2582550048828	248.0
194.0543212890625	180.0
194.08877563476562	344.0
194.26206970214844	136.0
195.0557098388672	704.0
195.0930633544922	15516.0
195.1566619873047	124.0
196.06243896484375	580.0
196.09877014160156	4672.0
196.81138610839844	188.0
197.07217407226562	1740.0
197.10760498046875	3020.0
197.51223754882812	132.0
197.61904907226562	136.0
198.07901000976562	356.0
198.11181640625	544.0
198.48487854003906	120.0
198.803466796875	148.0
199.06991577148438	96.0
199.72499084472656	148.0
200.0788116455078	260.0
200.28793334960938	204.0
200.98707580566406	200.0
201.0817108154297	316.0
201.60830688476562	152.0
202.09103393554688	220.0
203.09901428222656	312.0
203.11907958984375	1036.0
203.5487518310547	196.0
204.10231018066406	260.0
204.44703674316406	144.0
204.52102661132812	180.0
204.5580291748047	248.0
205.00233459472656	244.0
205.0762939453125	860.0
205.11415100097656	444.0
205.6953887939453	176.0
205.7524871826172	192.0
206.08450317382812	460.0
206.1150360107422	196.0
207.05636596679688	288.0
207.0896759033203	456.0
207.7643585205078	188.0
208.11972045898438	596.0
208.44674682617188	172.0
208.65750122070312	172.0
209.07098388671875	128.0
209.109619140625	6288.0
209.20169067382812	164.0
209.41787719726562	100.0
210.11134338378906	716.0
210.55929565429688	140.0
211.11705017089844	332.0
211.3804931640625	228.0
211.99708557128906	156.0
213.07858276367188	164.0
213.1019287109375	288.0
214.11489868164062	164.0
214.13983154296875	180.0
214.33920288085938	140.0
214.65109252929688	140.0
214.71817016601562	160.0
215.11764526367188	3328.0
215.35733032226562	216.0
215.7108917236328	140.0
216.06765747070312	176.0
216.1217498779297	988.0
217.07472229003906	140.0
217.11349487304688	2188.0
217.17787170410156	204.0
217.5798797607422	152.0
217.6356658935547	160.0
217.673828125	156.0
218.11557006835938	664.0
218.76165771484375	152.0
219.10032653808594	148.0
219.18576049804688	172.0
220.09661865234375	140.0
220.80642700195312	268.0
221.0777130126953	188.0
221.1069793701172	1688.0
221.29763793945312	204.0
222.04437255859375	152.0
222.10511779785156	1008.0
223.02415466308594	176.0
223.09036254882812	1428.0
223.12245178222656	3352.0
223.32147216796875	148.0
223.35122680664062	232.0
224.0900421142578	296.0
224.12918090820312	420.0
224.1997528076172	196.0
225.10552978515625	196.0
225.13723754882812	172.0
226.5811767578125	184.0
228.52366638183594	248.0
229.09567260742188	168.0
229.65029907226562	184.0
230.31735229492188	172.0
231.0640106201172	208.0
231.10031127929688	164.0
231.78158569335938	236.0
232.08493041992188	216.0
232.1246795654297	160.0
233.10748291015625	772.0
233.8070526123047	156.0
234.0840606689453	220.0
234.111083984375	880.0
234.137939453125	156.0
234.19979858398438	144.0
234.24835205078125	136.0
234.88560485839844	180.0
235.08837890625	400.0
235.124755859375	10984.0
235.19683837890625	144.0
235.33726501464844	144.0
235.54188537597656	152.0
236.0675506591797	164.0
236.09312438964844	488.0
236.12721252441406	2352.0
236.99502563476562	188.0
237.13458251953125	156.0
238.09800720214844	1772.0
239.0908966064453	368.0
239.1128387451172	248.0
239.16221618652344	164.0
240.0997314453125	148.0
240.93312072753906	148.0
241.09970092773438	4100.0
242.10203552246094	556.0
244.14427185058594	1200.0
244.30389404296875	120.0
245.73599243164062	156.0
246.1282501220703	304.0
247.13619995117188	180.0
248.12452697753906	384.0
248.79991149902344	156.0
249.1283721923828	1476.0
250.0981903076172	588.0
250.13499450683594	328.0
250.7721710205078	196.0
251.10812377929688	1048.0
251.14004516601562	540.0
251.3682098388672	144.0
251.5796661376953	160.0
251.67437744140625	140.0
252.1145782470703	3700.0
253.11685180664062	976.0
253.17404174804688	156.0
253.52169799804688	188.0
253.5502166748047	180.0
254.10977172851562	300.0
254.7622833251953	224.0
256.88555908203125	144.0
256.9876708984375	232.0
257.0323181152344	152.0
258.13116455078125	148.0
260.2940979003906	156.0
261.88275146484375	176.0
261.9697265625	148.0
262.10601806640625	224.0
262.1566162109375	172.0
263.90936279296875	200.0
264.1163024902344	160.0
265.162109375	200.0
266.0184020996094	180.0
266.1036376953125	320.0
267.10205078125	184.0
267.1817932128906	168.0
268.1191711425781	180.0
268.9805908203125	148.0
270.42529296875	176.0
271.0849914550781	164.0
272.6949157714844	200.0
273.500732421875	180.0
274.0225524902344	184.0
274.4330139160156	140.0
274.9410095214844	200.0
275.53533935546875	180.0
275.6575927734375	180.0
275.703857421875	144.0
276.0187683105469	140.0
276.1183166503906	196.0
276.1494445800781	160.0
277.1516418457031	268.0
278.0884704589844	120.0
278.1300048828125	1624.0
279.1160888671875	888.0
280.1134948730469	452.0
281.12689208984375	164.0
281.7278747558594	184.0
282.0419921875	180.0
285.5322570800781	236.0
285.87200927734375	164.0
286.0201110839844	180.0
286.4881591796875	144.0
288.1479797363281	192.0
288.6752624511719	140.0
289.54498291015625	144.0
292.14556884765625	136.0
292.56695556640625	144.0
293.1189270019531	316.0
293.1502990722656	448.0
294.1217041015625	612.0
294.16064453125	5268.0
294.9924011230469	148.0
295.1634216308594	468.0
295.25567626953125	176.0
295.77484130859375	172.0
296.14129638671875	28480.0
296.60833740234375	112.0
296.71209716796875	104.0
297.14447021484375	3764.0
297.4999694824219	184.0
298.1461181640625	376.0
298.431884765625	108.0
298.7012939453125	160.0
299.1534423828125	208.0
299.2276916503906	100.0
299.44268798828125	144.0
301.7200622558594	148.0
303.06292724609375	148.0
304.3150329589844	176.0
304.9715881347656	140.0
308.1438293457031	156.0
308.5061340332031	188.0
309.0587158203125	144.0
309.9270324707031	140.0
311.66387939453125	160.0
312.3036804199219	256.0
312.4092102050781	188.0
313.2117919921875	156.0
313.54296875	208.0
314.1568603515625	156.0
314.5270080566406	188.0
315.3146057128906	152.0
315.8272705078125	164.0
318.46075439453125	176.0
319.7086486816406	156.0
320.1415100097656	172.0
322.66558837890625	148.0
325.3704528808594	224.0
327.99285888671875	184.0
328.10821533203125	184.0
329.3351135253906	172.0
330.06512451171875	200.0
330.9805603027344	144.0
331.5094299316406	140.0
333.58184814453125	192.0
334.22918701171875	176.0
334.6249084472656	248.0
334.750732421875	128.0
335.6114196777344	172.0
335.71905517578125	152.0
336.0067443847656	220.0
336.6317138671875	112.0
336.8431701660156	172.0
337.14276123046875	520.0
337.181884765625	192.0
337.2303161621094	172.0
337.3054504394531	124.0
337.3539123535156	188.0
337.38262939453125	164.0
337.4611511230469	196.0
337.50042724609375	128.0
337.5854797363281	172.0
337.6513366699219	136.0
337.74237060546875	268.0
337.7747497558594	108.0
337.83612060546875	132.0
337.888671875	156.0
337.9259338378906	112.0
337.9640808105469	276.0
338.00653076171875	244.0
338.0931396484375	544.0
338.1533508300781	212596.0
338.2404479980469	136.0
338.2789001464844	124.0
338.3914794921875	260.0
338.4625244140625	96.0
338.49346923828125	216.0
338.53558349609375	236.0
338.5885009765625	200.0
338.6201171875	312.0
338.6728210449219	120.0
338.7542724609375	2104.0
338.79644775390625	108.0
338.9149169921875	140.0
338.942626953125	196.0
339.0378723144531	208.0
339.09735107421875	252.0
339.1549072265625	41888.0
339.2479248046875	148.0
339.3984680175781	236.0
339.4327697753906	160.0
339.49578857421875	128.0
339.5764465332031	148.0
339.6535949707031	116.0
339.73223876953125	172.0
339.93572998046875	176.0
340.0208435058594	140.0
340.10101318359375	192.0
340.156494140625	5412.0
340.2140197753906	124.0
340.4344177246094	96.0
340.5008850097656	196.0
340.5359802246094	100.0
341.01123046875	140.0
341.07745361328125	148.0
341.1083679199219	160.0
341.1658020019531	820.0
341.3143310546875	112.0
341.3606872558594	212.0
341.411376953125	216.0
341.5123596191406	120.0
341.5567321777344	288.0
341.6517028808594	148.0
341.69378662109375	112.0
342.0664367675781	120.0
342.2450866699219	96.0
342.5560607910156	132.0
342.6446228027344	100.0
342.9709777832031	140.0
353.440185546875	160.0
394.128173828125	176.0
401.1090087890625	148.0
412.2668151855469	144.0
422.8570556640625	192.0
458.3860778808594	140.0
714.9749145507812	144.0
1162.128173828125	164.0
1224.5093994140625	208.0
1239.290771484375	144.0
1371.3638916015625	172.0
1418.1904296875	192.0
1429.2071533203125	184.0
1453.431640625	152.0
1464.690673828125	208.0
1477.5458984375	148.0
1486.6025390625	160.0
1555.0794677734375	192.0
1567.237060546875	212.0
1594.752685546875	244.0
1605.4288330078125	172.0
1608.668212890625	172.0
1608.8597412109375	164.0
1628.1888427734375	164.0
1631.0008544921875	144.0
1631.38671875	152.0
1635.4327392578125	208.0
1660.8521728515625	168.0
1700.711181640625	156.0
1719.9801025390625	168.0
1721.44970703125	184.0
1722.2342529296875	172.0
1737.224853515625	216.0
1739.0006103515625	156.0
1779.9322509765625	168.0
1783.9398193359375	160.0
1794.716064453125	176.0
1829.6480712890625	212.0
1834.70849609375	200.0
1851.2928466796875	240.0
1851.8323974609375	156.0
1858.4417724609375	208.0
1859.411376953125	236.0
1863.833984375	168.0
1904.3504638671875	168.0
1922.127197265625	164.0
1925.2523193359375	160.0
1929.3502197265625	144.0
1931.4664306640625	144.0
1933.5400390625	204.0
1962.281494140625	192.0
1978.236328125	148.0
1982.4256591796875	152.0
1982.85107421875	152.0
1988.3763427734375	164.0
1994.3624267578125	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079103
PEPMASS=160.046127
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=DEXBROMPHENIRAMINE MALEATE [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CC[C@@H](c1ccc(Br)cc1)c2ccccn2
INCHI=InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1
INCHIAUX=ZDIGNSYAACHWNL-HNNXBMFYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079103
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079103
SCANS=1063
45.2478141784668	168.0
45.28396987915039	152.0
45.72030258178711	168.0
45.94127655029297	148.0
46.34416580200195	204.0
46.401092529296875	156.0
46.964073181152344	224.0
47.293365478515625	140.0
47.853458404541016	184.0
48.38361740112305	164.0
48.56237030029297	180.0
48.934791564941406	180.0
49.025333404541016	180.0
49.14804458618164	220.0
49.26951217651367	164.0
49.625	192.0
51.04834747314453	196.0
51.36024475097656	184.0
51.77043151855469	144.0
51.916603088378906	236.0
52.15205764770508	188.0
52.29157257080078	164.0
52.56538391113281	196.0
52.77049255371094	160.0
54.65943908691406	148.0
54.929046630859375	176.0
57.346195220947266	148.0
57.96581268310547	140.0
57.994606018066406	236.0
58.014312744140625	176.0
58.22977828979492	140.0
58.37871170043945	160.0
58.40346908569336	144.0
58.50651931762695	140.0
58.5887565612793	176.0
58.75950622558594	168.0
59.091041564941406	168.0
59.69076919555664	184.0
59.8892936706543	192.0
60.08506774902344	140.0
60.143707275390625	160.0
60.500789642333984	172.0
60.632450103759766	140.0
60.65104675292969	164.0
60.77821731567383	148.0
60.99563980102539	200.0
61.89739990234375	160.0
61.997657775878906	140.0
62.79315948486328	236.0
63.52233123779297	180.0
63.6588249206543	260.0
63.98637008666992	240.0
64.51922607421875	372.0
65.30335235595703	164.0
65.51099395751953	184.0
65.57383728027344	312.0
66.36756134033203	196.0
66.69874572753906	192.0
66.88580322265625	208.0
67.38155364990234	188.0
67.40605926513672	192.0
67.56793212890625	208.0
67.63011169433594	168.0
68.24858093261719	152.0
68.26502227783203	144.0
69.67658996582031	148.0
69.75469970703125	180.0
70.31100463867188	168.0
71.65919494628906	200.0
72.37364196777344	208.0
74.14013671875	168.0
74.63279724121094	184.0
74.86853790283203	156.0
75.00465393066406	148.0
75.45866394042969	168.0
76.11534118652344	148.0
76.1709213256836	148.0
76.5413589477539	200.0
76.5674819946289	152.0
76.764404296875	140.0
77.24644470214844	152.0
77.46350860595703	256.0
78.0145263671875	164.0
78.26083374023438	180.0
78.99146270751953	160.0
79.3296890258789	192.0
80.44149017333984	156.0
80.91165161132812	172.0
81.02806091308594	140.0
81.2790756225586	148.0
81.78766632080078	176.0
81.98938751220703	160.0
82.52911376953125	220.0
83.53565979003906	200.0
84.06584930419922	176.0
84.70209503173828	220.0
85.13493347167969	168.0
85.18636322021484	152.0
85.6535873413086	188.0
86.1904525756836	188.0
86.403076171875	140.0
86.76605987548828	200.0
87.57811737060547	200.0
87.64517974853516	168.0
87.89130401611328	192.0
88.80657196044922	160.0
89.13651275634766	152.0
89.35649871826172	248.0
90.04452514648438	160.0
90.57221984863281	196.0
90.77500915527344	192.0
91.35999298095703	180.0
91.82666778564453	160.0
93.05134582519531	160.0
96.00221252441406	152.0
96.80733489990234	140.0
97.03070068359375	176.0
97.55374145507812	224.0
97.74170684814453	160.0
98.01343536376953	176.0
98.0567855834961	208.0
98.55802154541016	156.0
98.70824432373047	224.0
98.824951171875	184.0
98.93181610107422	248.0
99.10808563232422	144.0
99.37377166748047	164.0
99.69146728515625	160.0
99.97982025146484	148.0
100.1032485961914	184.0
100.73149108886719	248.0
101.16142272949219	156.0
101.20947265625	164.0
101.2735595703125	188.0
101.5501480102539	140.0
101.68055725097656	140.0
101.97177124023438	172.0
102.04615020751953	200.0
103.52924346923828	164.0
103.98539733886719	156.0
104.02599334716797	160.0
105.46407318115234	152.0
105.7524642944336	152.0
105.91012573242188	164.0
106.06588745117188	2300.0
106.36843872070312	108.0
106.51316833496094	144.0
106.8626480102539	176.0
106.99024200439453	156.0
107.06401062011719	208.0
107.71819305419922	184.0
108.59788513183594	248.0
109.25220489501953	188.0
109.30213928222656	204.0
109.32918548583984	148.0
111.2269515991211	160.0
111.73320007324219	172.0
112.27472686767578	140.0
112.63140869140625	176.0
113.0373306274414	156.0
113.15162658691406	236.0
113.24479675292969	164.0
113.53726959228516	240.0
113.786865234375	108.0
113.83011627197266	180.0
114.04256439208984	200.0
114.11058807373047	176.0
114.29776000976562	180.0
114.75569152832031	160.0
114.95406341552734	196.0
115.05713653564453	344.0
115.11129760742188	140.0
115.14192199707031	188.0
115.83491516113281	188.0
115.9249038696289	256.0
116.05538177490234	124.0
116.74708557128906	140.0
116.98040008544922	188.0
117.02896881103516	152.0
117.0576171875	684.0
118.06636047363281	3424.0
119.073486328125	2752.0
120.08020782470703	2464.0
120.52265167236328	124.0
120.58151245117188	508.0
120.7322998046875	124.0
120.8622055053711	144.0
121.5261001586914	248.0
122.08622741699219	180.0
123.0623779296875	176.0
123.40705108642578	156.0
124.50169372558594	184.0
125.00186920166016	196.0
126.68306732177734	180.0
127.66390228271484	172.0
128.0462188720703	140.0
128.17037963867188	216.0
128.240234375	148.0
128.68748474121094	168.0
128.97604370117188	192.0
129.0076904296875	172.0
129.3538055419922	164.0
129.3832244873047	144.0
129.87501525878906	148.0
130.6540985107422	144.0
131.18927001953125	232.0
131.3968048095703	216.0
131.70726013183594	172.0
131.89691162109375	196.0
132.86326599121094	148.0
134.33555603027344	220.0
134.50169372558594	156.0
134.67025756835938	152.0
135.73944091796875	148.0
136.74534606933594	192.0
136.88734436035156	196.0
137.03662109375	144.0
137.05738830566406	148.0
137.3044891357422	168.0
137.51913452148438	176.0
138.0437774658203	112.0
138.51051330566406	188.0
139.05401611328125	3476.0
139.95481872558594	196.0
140.0574493408203	1204.0
140.19036865234375	176.0
140.77540588378906	164.0
140.84075927734375	148.0
140.89585876464844	148.0
141.06866455078125	160.0
141.74525451660156	144.0
141.92034912109375	152.0
142.0701904296875	244.0
142.1602325439453	248.0
142.6994171142578	148.0
142.74697875976562	144.0
142.9634552001953	192.0
143.06991577148438	140.0
143.37306213378906	164.0
143.94796752929688	184.0
145.1947479248047	176.0
145.2619171142578	148.0
145.57391357421875	164.0
145.63156127929688	156.0
146.0040740966797	192.0
146.21337890625	176.0
146.72885131835938	164.0
149.5898895263672	156.0
149.75546264648438	248.0
150.10882568359375	160.0
150.20150756835938	148.0
150.8448944091797	192.0
151.0564422607422	164.0
151.9751434326172	168.0
152.05699157714844	304.0
152.25498962402344	196.0
153.05909729003906	148.0
153.97398376464844	240.0
154.06553649902344	128.0
154.5623321533203	184.0
155.06256103515625	188.0
155.9575958251953	2296.0
156.63035583496094	168.0
156.82220458984375	196.0
156.95913696289062	264.0
157.25369262695312	176.0
157.95416259765625	2912.0
158.95458984375	160.0
159.0382537841797	156.0
159.2165069580078	228.0
159.40994262695312	160.0
159.4803009033203	180.0
159.5054473876953	216.0
159.5682830810547	176.0
159.7192840576172	104.0
159.87400817871094	192.0
159.94638061523438	120.0
160.01271057128906	284.0
160.0446319580078	73620.0
160.0809326171875	136.0
160.09854125976562	256.0
160.1376953125	212.0
160.1743621826172	100.0
160.27220153808594	248.0
160.37652587890625	168.0
160.4590606689453	200.0
160.5087890625	280.0
160.5454864501953	9592.0
160.5858612060547	168.0
160.70352172851562	256.0
160.7665557861328	172.0
160.8555908203125	348.0
160.89134216308594	252.0
160.92530822753906	232.0
160.98121643066406	148.0
161.0440673828125	58948.0
161.08935546875	252.0
161.1163330078125	112.0
161.15191650390625	96.0
161.2371063232422	176.0
161.2572021484375	156.0
161.2956085205078	144.0
161.44044494628906	128.0
161.45977783203125	280.0
161.54498291015625	16448.0
161.60887145996094	144.0
161.66799926757812	276.0
161.695556640625	124.0
161.92466735839844	180.0
162.04432678222656	848.0
162.07057189941406	164.0
162.1671600341797	128.0
162.205322265625	136.0
162.5505828857422	204.0
162.7212371826172	176.0
163.0451202392578	120.0
163.0689239501953	164.0
163.12527465820312	264.0
163.20733642578125	100.0
163.3092498779297	112.0
163.9779510498047	168.0
164.0497589111328	116.0
164.1332550048828	192.0
164.16961669921875	152.0
164.25587463378906	140.0
164.49063110351562	148.0
165.05819702148438	240.0
165.88217163085938	140.0
166.06539916992188	4508.0
166.1103973388672	156.0
166.3490447998047	184.0
166.7291717529297	148.0
166.86798095703125	188.0
166.93905639648438	180.0
166.9811248779297	288.0
167.03616333007812	256.0
167.07391357421875	87852.0
167.24806213378906	140.0
167.2864532470703	132.0
167.7912139892578	160.0
167.92788696289062	152.0
167.96759033203125	180.0
168.0805206298828	34772.0
168.2018280029297	180.0
168.23281860351562	204.0
168.29283142089844	104.0
168.5440216064453	200.0
168.6884002685547	112.0
168.74143981933594	116.0
168.87684631347656	128.0
168.96505737304688	1884.0
169.0497283935547	316.0
169.08383178710938	2756.0
169.1259002685547	172.0
169.24000549316406	180.0
169.35858154296875	136.0
169.64842224121094	148.0
170.04641723632812	136.0
170.08775329589844	272.0
170.13771057128906	112.0
170.24807739257812	104.0
170.45819091796875	292.0
170.55455017089844	100.0
170.96224975585938	1636.0
171.9670867919922	296.0
173.24441528320312	116.0
173.6903076171875	168.0
175.2123565673828	180.0
175.23080444335938	152.0
180.07955932617188	544.0
180.55409240722656	324.0
181.0816650390625	328.0
181.5533447265625	340.0
182.09591674804688	500.0
182.8522186279297	164.0
183.09812927246094	304.0
184.38137817382812	152.0
186.60955810546875	164.0
188.97694396972656	216.0
189.152099609375	196.0
191.18861389160156	164.0
192.40692138671875	156.0
193.09771728515625	160.0
193.8756561279297	164.0
194.0954132080078	364.0
195.0163116455078	160.0
195.101318359375	200.0
197.9371795654297	216.0
199.06097412109375	484.0
199.42198181152344	104.0
205.21031188964844	244.0
206.12083435058594	172.0
207.73269653320312	208.0
211.079345703125	160.0
213.00953674316406	184.0
213.2216339111328	144.0
215.3309326171875	176.0
219.4008026123047	180.0
221.3626708984375	144.0
227.82606506347656	188.0
230.8836669921875	124.0
231.212158203125	168.0
232.04212951660156	144.0
232.29989624023438	156.0
232.73085021972656	148.0
233.18650817871094	156.0
240.192138671875	236.0
243.35800170898438	152.0
244.3149871826172	108.0
244.9865264892578	100.0
245.4522705078125	100.0
245.69638061523438	208.0
245.81698608398438	204.0
245.88876342773438	148.0
245.95118713378906	316.0
245.99237060546875	21220.0
246.06167602539062	128.0
246.1729278564453	108.0
246.73927307128906	212.0
246.82814025878906	116.0
246.90150451660156	404.0
246.9999237060547	74856.0
247.0645294189453	140.0
247.09605407714844	132.0
247.23814392089844	236.0
247.35903930664062	212.0
247.42625427246094	188.0
247.514892578125	276.0
247.70849609375	188.0
247.76123046875	96.0
247.9927215576172	16020.0
248.41053771972656	104.0
248.49118041992188	96.0
248.7983856201172	144.0
248.8648223876953	188.0
248.8834228515625	184.0
248.95498657226562	176.0
248.99813842773438	52448.0
249.26263427734375	120.0
249.37962341308594	116.0
249.48590087890625	140.0
249.61752319335938	120.0
249.6719512939453	108.0
249.7157440185547	120.0
249.75714111328125	360.0
249.80393981933594	96.0
249.88050842285156	164.0
250.000732421875	6876.0
250.20703125	108.0
250.7155303955078	116.0
251.00234985351562	788.0
251.7039337158203	160.0
254.20864868164062	96.0
260.006591796875	128.0
262.0018310546875	148.0
263.0242004394531	168.0
274.0201416015625	376.0
275.023193359375	220.0
276.02001953125	264.0
277.0247802734375	120.0
473.7330627441406	140.0
556.924560546875	148.0
682.7552490234375	176.0
773.4696655273438	124.0
1192.4888916015625	188.0
1385.45458984375	160.0
1403.984619140625	200.0
1408.656982421875	268.0
1430.1395263671875	232.0
1465.832763671875	144.0
1473.0196533203125	160.0
1545.4869384765625	164.0
1553.6270751953125	160.0
1558.8955078125	144.0
1562.1583251953125	160.0
1577.9703369140625	200.0
1595.8807373046875	164.0
1611.5264892578125	152.0
1612.0858154296875	168.0
1620.3992919921875	176.0
1625.98828125	212.0
1643.5469970703125	144.0
1650.8978271484375	176.0
1653.3409423828125	152.0
1663.878173828125	152.0
1674.53857421875	188.0
1685.9765625	176.0
1687.439697265625	144.0
1694.060302734375	140.0
1694.5927734375	220.0
1697.182861328125	244.0
1724.3980712890625	184.0
1729.675048828125	184.0
1736.2369384765625	204.0
1740.444091796875	180.0
1750.0391845703125	172.0
1752.6712646484375	156.0
1776.01220703125	188.0
1809.6785888671875	152.0
1819.0931396484375	208.0
1819.419921875	144.0
1831.222412109375	148.0
1838.127685546875	160.0
1844.0457763671875	160.0
1855.842041015625	160.0
1866.9447021484375	152.0
1872.797119140625	208.0
1886.3958740234375	148.0
1893.5255126953125	200.0
1895.8819580078125	140.0
1913.17529296875	148.0
1917.7222900390625	180.0
1923.9154052734375	148.0
1925.3299560546875	148.0
1927.46142578125	200.0
1932.0777587890625	168.0
1933.3115234375	140.0
1944.608154296875	240.0
1960.4735107421875	156.0
1963.329833984375	200.0
1964.8734130859375	156.0
1967.75048828125	284.0
1970.8065185546875	148.0
1971.47802734375	168.0
1975.686767578125	220.0
1977.651123046875	200.0
1983.4970703125	196.0
1984.436767578125	148.0
1986.7958984375	172.0
1996.2196044921875	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079104
PEPMASS=598.2052
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=36.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ZAFIRLUKAST [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cc(ccc1Cc2cn(C)c3ccc(NC(=O)OC4CCCC4)cc23)C(=O)NS(=O)(=O)c5ccccc5C
INCHI=InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
INCHIAUX=YEEZWCHGZNKEEK-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079104
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079104
SCANS=2818
69.7630386352539	200.0
130.0383758544922	156.0
141.54397583007812	212.0
144.6269989013672	248.0
146.06187438964844	176.0
146.08493041992188	248.0
148.091796875	140.0
155.60337829589844	160.0
158.96405029296875	176.0
159.09141540527344	504.0
160.0952911376953	116.0
162.05447387695312	260.0
163.0516357421875	176.0
169.05279541015625	172.0
170.02719116210938	140.0
174.88064575195312	248.0
187.03672790527344	544.0
187.72874450683594	220.0
188.03701782226562	200.0
191.081298828125	120.0
220.0042724609375	220.0
236.11953735351562	144.0
236.24188232421875	156.0
237.09324645996094	148.0
251.05589294433594	268.0
257.02593994140625	180.0
259.1426086425781	288.0
260.0789794921875	144.0
261.1939697265625	164.0
265.1399230957031	128.0
266.13525390625	176.0
271.8902587890625	200.0
280.1115417480469	144.0
281.013427734375	144.0
286.6936950683594	160.0
289.1319580078125	152.0
293.1251220703125	320.0
294.1145324707031	144.0
297.1241149902344	148.0
309.1426696777344	204.0
310.0495910644531	580.0
311.0545654296875	236.0
311.13238525390625	272.0
312.06646728515625	540.0
316.5173645019531	140.0
318.0765075683594	260.0
319.1042175292969	104.0
320.11199951171875	152.0
330.0670166015625	136.0
331.07470703125	144.0
333.1152038574219	280.0
337.1091003417969	116.0
340.0616760253906	10500.0
340.5104675292969	216.0
341.0628967285156	1760.0
341.10845947265625	140.0
342.0619812011719	328.0
343.0591735839844	120.0
343.2388000488281	136.0
343.3187561035156	96.0
355.1253356933594	332.0
356.07550048828125	148.0
370.6929931640625	236.0
375.857177734375	156.0
377.7850646972656	140.0
378.58624267578125	160.0
388.415771484375	148.0
392.0407409667969	160.0
406.1741027832031	180.0
407.8536376953125	184.0
410.0955505371094	156.0
410.5833740234375	152.0
411.59625244140625	192.0
414.0306091308594	148.0
423.1876220703125	212.0
425.2875061035156	200.0
427.18585205078125	184.0
431.18536376953125	156.0
437.8648681640625	144.0
445.16802978515625	372.0
446.1855163574219	120.0
448.27947998046875	156.0
449.54034423828125	148.0
452.81243896484375	176.0
455.69696044921875	140.0
459.486083984375	148.0
459.6695556640625	156.0
463.14349365234375	308.0
464.171630859375	304.0
482.253173828125	152.0
483.1360168457031	376.0
483.6460266113281	284.0
484.1268615722656	536.0
484.6456298828125	280.0
485.1509094238281	144.0
485.2692565917969	176.0
485.475341796875	144.0
486.14556884765625	3128.0
486.2153625488281	144.0
487.14056396484375	1012.0
488.1468505859375	448.0
492.1487121582031	160.0
492.649658203125	200.0
499.0092468261719	196.0
503.10333251953125	280.0
503.85821533203125	164.0
504.0994873046875	220.0
505.150146484375	184.0
506.0093688964844	192.0
507.43408203125	204.0
514.1137084960938	160.0
514.7140502929688	172.0
516.6620483398438	148.0
517.146240234375	212.0
517.67138671875	196.0
520.1139526367188	200.0
521.1229858398438	100.0
529.086181640625	176.0
532.0711669921875	156.0
532.2589111328125	156.0
536.1597900390625	176.0
536.2740478515625	116.0
536.3533935546875	152.0
539.1114501953125	176.0
539.1589965820312	572.0
539.655029296875	372.0
539.8020629882812	144.0
540.1581420898438	332.0
540.6666870117188	156.0
540.7412109375	176.0
541.1670532226562	176.0
542.1212768554688	140.0
545.7279052734375	156.0
547.095703125	140.0
547.5892944335938	156.0
556.1680908203125	116.0
564.0996704101562	136.0
566.9599609375	168.0
570.2488403320312	156.0
575.2501831054688	176.0
576.2003173828125	112.0
579.602294921875	156.0
584.2271118164062	100.0
585.1449584960938	200.0
589.6309204101562	144.0
595.04345703125	96.0
595.3099365234375	132.0
596.3871459960938	172.0
596.6248779296875	116.0
596.7177124023438	172.0
596.8441162109375	160.0
597.0435180664062	148.0
597.1038208007812	152.0
597.2769775390625	168.0
597.5297241210938	104.0
597.6539306640625	248.0
597.6968994140625	140.0
597.7437744140625	132.0
597.8141479492188	116.0
597.9496459960938	96.0
598.04248046875	144.0
598.1048583984375	196.0
598.1983032226562	65576.0
598.3709716796875	204.0
598.8257446289062	116.0
598.9348754882812	160.0
598.9957275390625	268.0
599.0574951171875	200.0
599.1267700195312	200.0
599.2017211914062	21916.0
599.3987426757812	140.0
599.5018310546875	232.0
599.6727294921875	180.0
599.7092895507812	204.0
599.8807373046875	204.0
599.9339599609375	160.0
600.0078735351562	136.0
600.0872802734375	296.0
600.1998901367188	5528.0
600.2830810546875	380.0
600.4074096679688	148.0
600.4537353515625	296.0
600.6716918945312	232.0
600.8757934570312	120.0
600.8936767578125	108.0
600.9620361328125	108.0
601.0451049804688	128.0
601.19677734375	1652.0
601.453369140625	140.0
601.6480102539062	252.0
601.7858276367188	156.0
601.8611450195312	148.0
602.1427001953125	104.0
602.2017211914062	448.0
602.3109741210938	132.0
602.6917724609375	148.0
602.9096069335938	136.0
603.0694580078125	140.0
603.2097778320312	120.0
603.68310546875	204.0
603.8642578125	100.0
603.9397583007812	160.0
604.3262329101562	140.0
604.4412841796875	148.0
604.5266723632812	108.0
605.0641479492188	148.0
605.207275390625	152.0
607.8179321289062	96.0
620.1840209960938	136.0
632.162353515625	136.0
751.3700561523438	148.0
795.54736328125	156.0
1313.106689453125	180.0
1638.984130859375	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079105
PEPMASS=576.22229
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=36.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ZAFIRLUKAST [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cc(ccc1Cc2cn(C)c3ccc(NC(=O)OC4CCCC4)cc23)C(=O)NS(=O)(=O)c5ccccc5C
INCHI=InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
INCHIAUX=YEEZWCHGZNKEEK-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079105
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079105
SCANS=2834
45.5509147644043	184.0
46.233154296875	140.0
46.356388092041016	140.0
50.3520622253418	188.0
50.6934814453125	184.0
51.08961868286133	156.0
51.3659782409668	148.0
51.9926643371582	152.0
52.278648376464844	144.0
53.12099075317383	180.0
56.01713180541992	184.0
56.04692840576172	156.0
58.430824279785156	116.0
58.498939514160156	168.0
59.163002014160156	160.0
59.82927322387695	144.0
59.853904724121094	208.0
60.56585693359375	164.0
60.62163162231445	152.0
62.43726348876953	216.0
63.28622817993164	180.0
63.9195556640625	188.0
69.07486724853516	200.0
69.77770233154297	152.0
70.18926239013672	144.0
71.07243347167969	264.0
72.0810546875	156.0
72.56852722167969	152.0
72.91822052001953	140.0
74.11447143554688	168.0
75.26519012451172	160.0
76.14664459228516	200.0
77.40399932861328	156.0
78.45467376708984	176.0
79.90156555175781	180.0
79.98698425292969	204.0
80.1312255859375	188.0
80.4218978881836	164.0
80.54509735107422	144.0
80.69879150390625	152.0
81.37245178222656	188.0
82.40806579589844	148.0
84.82857513427734	152.0
86.026123046875	156.0
89.73133087158203	140.0
91.0545654296875	548.0
91.68563842773438	160.0
94.85514831542969	144.0
96.7447280883789	176.0
98.821044921875	184.0
99.00513458251953	192.0
99.58821105957031	156.0
99.85453796386719	188.0
100.08538055419922	284.0
100.20288848876953	172.0
102.28878784179688	184.0
102.4446792602539	140.0
102.62001037597656	232.0
102.93679809570312	196.0
103.45438385009766	168.0
104.78052520751953	152.0
105.29251098632812	172.0
105.74433135986328	160.0
106.06385040283203	144.0
106.24430847167969	164.0
107.04930877685547	296.0
107.06688690185547	164.0
107.91664123535156	156.0
108.06969451904297	196.0
110.18832397460938	220.0
110.71334075927734	200.0
110.87464904785156	172.0
110.94171905517578	140.0
111.08222198486328	196.0
113.24909210205078	192.0
113.58399200439453	144.0
116.03856658935547	148.0
118.06768035888672	108.0
119.04959869384766	1728.0
120.04869842529297	136.0
121.06524658203125	628.0
121.08993530273438	176.0
121.83352661132812	140.0
121.8532943725586	144.0
121.8818588256836	164.0
122.70943450927734	160.0
123.8652114868164	200.0
126.5510025024414	144.0
127.23929595947266	164.0
128.20199584960938	224.0
128.26510620117188	156.0
129.07333374023438	140.0
129.70269775390625	164.0
129.90451049804688	156.0
131.03892517089844	160.0
131.0629119873047	144.0
132.07989501953125	164.0
133.96910095214844	180.0
134.06005859375	168.0
135.04470825195312	124.0
135.06556701660156	176.0
135.09332275390625	200.0
135.60968017578125	192.0
136.0472869873047	128.0
137.0595703125	2264.0
137.916259765625	168.0
137.93496704101562	164.0
138.06259155273438	160.0
139.06393432617188	152.0
139.117919921875	184.0
139.7642364501953	196.0
142.0630340576172	184.0
144.06507873535156	148.0
144.4786376953125	196.0
144.80657958984375	204.0
145.07594299316406	968.0
145.54998779296875	180.0
146.06005859375	2292.0
146.08360290527344	3424.0
146.140625	164.0
146.3530731201172	228.0
147.0462188720703	1556.0
147.08563232421875	656.0
147.63922119140625	176.0
147.9102020263672	172.0
148.04733276367188	244.0
148.091796875	276.0
149.0584716796875	624.0
149.87490844726562	152.0
150.07965087890625	180.0
150.21865844726562	160.0
151.03623962402344	340.0
151.4579620361328	144.0
151.51675415039062	180.0
152.37051391601562	212.0
153.6383819580078	184.0
154.0358123779297	176.0
154.88671875	140.0
154.9759063720703	144.0
155.01467895507812	868.0
155.37506103515625	152.0
156.7574920654297	160.0
157.01052856445312	104.0
157.03421020507812	148.0
158.0869140625	160.0
158.61444091796875	164.0
159.00570678710938	252.0
159.0408477783203	148.0
159.09173583984375	3152.0
159.34217834472656	164.0
160.09815979003906	1116.0
161.07635498046875	188.0
161.10455322265625	172.0
162.0526580810547	256.0
163.05677795410156	600.0
163.0897674560547	160.0
163.2830047607422	148.0
164.03729248046875	192.0
165.0541534423828	3208.0
166.055908203125	588.0
166.34912109375	180.0
167.25135803222656	140.0
171.0798797607422	280.0
171.26736450195312	168.0
173.06930541992188	156.0
173.1066436767578	152.0
175.1360626220703	180.0
175.41799926757812	192.0
176.61415100097656	200.0
176.78082275390625	156.0
177.44300842285156	156.0
178.08251953125	144.0
178.31101989746094	164.0
179.8024139404297	160.0
180.51568603515625	320.0
181.09649658203125	152.0
181.7210235595703	180.0
183.32359313964844	212.0
184.06759643554688	168.0
184.1572265625	148.0
185.0714569091797	8720.0
185.1752471923828	100.0
185.1925811767578	200.0
186.07298278808594	808.0
187.0788116455078	308.0
189.05914306640625	204.0
189.31646728515625	204.0
190.07852172851562	196.0
191.24099731445312	168.0
192.15310668945312	160.0
193.08560180664062	164.0
194.27224731445312	256.0
195.0747833251953	152.0
195.13873291015625	168.0
196.1186065673828	184.0
196.883056640625	148.0
197.09226989746094	332.0
198.10252380371094	240.0
200.473876953125	140.0
201.4331512451172	180.0
201.54615783691406	164.0
203.082763671875	880.0
204.08815002441406	864.0
205.0863494873047	212.0
205.36441040039062	188.0
206.10519409179688	260.0
207.09181213378906	160.0
207.26548767089844	160.0
207.35719299316406	180.0
207.49191284179688	140.0
207.61807250976562	156.0
208.0824737548828	156.0
209.074951171875	236.0
209.09719848632812	536.0
209.32215881347656	160.0
209.72836303710938	204.0
209.7514190673828	184.0
210.1090087890625	168.0
211.10479736328125	200.0
212.0655059814453	168.0
212.11012268066406	184.0
212.35948181152344	204.0
213.0328826904297	144.0
214.14857482910156	160.0
214.5840301513672	180.0
216.9227752685547	204.0
217.01658630371094	152.0
217.3216094970703	160.0
218.10276794433594	156.0
218.2938690185547	192.0
218.90003967285156	148.0
219.085693359375	116.0
220.10888671875	268.0
221.0874786376953	168.0
221.1156005859375	128.0
221.31541442871094	160.0
222.0792999267578	288.0
222.11366271972656	448.0
223.08169555664062	276.0
223.3333740234375	152.0
223.7559356689453	140.0
224.10804748535156	464.0
224.3756103515625	144.0
225.11085510253906	172.0
226.0138397216797	268.0
226.10508728027344	284.0
226.23500061035156	188.0
226.35354614257812	164.0
227.6339569091797	184.0
229.06857299804688	152.0
229.87657165527344	140.0
231.0899658203125	132.0
232.7188262939453	172.0
232.9344482421875	160.0
233.0316619873047	168.0
233.1070098876953	1388.0
233.697509765625	148.0
234.06884765625	148.0
234.1103515625	504.0
235.0845947265625	400.0
235.11907958984375	168.0
236.09446716308594	300.0
237.10287475585938	608.0
238.1167449951172	148.0
238.2099151611328	156.0
239.10748291015625	152.0
239.3878631591797	144.0
239.9733123779297	180.0
240.0688934326172	176.0
240.1022186279297	404.0
241.32562255859375	212.0
241.51426696777344	156.0
241.79580688476562	168.0
243.48544311523438	156.0
243.82406616210938	228.0
244.13487243652344	144.0
246.10150146484375	148.0
247.09906005859375	204.0
247.2421112060547	144.0
248.037109375	216.0
248.10780334472656	440.0
249.10409545898438	868.0
250.10984802246094	1520.0
250.15481567382812	160.0
251.11643981933594	124.0
252.0870361328125	140.0
252.1166229248047	160.0
252.33155822753906	144.0
252.80601501464844	140.0
253.10125732421875	264.0
253.1356964111328	256.0
254.12030029296875	456.0
255.09913635253906	180.0
256.40411376953125	204.0
256.8664245605469	144.0
259.0881652832031	148.0
260.091796875	376.0
261.1024169921875	4060.0
261.17144775390625	208.0
261.68890380859375	100.0
262.04669189453125	176.0
262.10650634765625	1132.0
263.1170959472656	780.0
263.2372741699219	144.0
263.5828857421875	148.0
263.90765380859375	152.0
263.9578552246094	204.0
263.9998779296875	168.0
264.086669921875	136.0
264.12481689453125	680.0
264.29425048828125	140.0
265.05194091796875	152.0
265.0953369140625	304.0
265.1341857910156	16056.0
265.220458984375	196.0
265.291748046875	180.0
265.5793151855469	100.0
265.67767333984375	188.0
266.13671875	3352.0
266.53155517578125	180.0
266.5835266113281	156.0
266.7599182128906	192.0
267.1102294921875	184.0
267.1372375488281	488.0
267.2948303222656	172.0
267.6533203125	100.0
268.1028137207031	172.0
269.0850830078125	144.0
269.12396240234375	244.0
270.6282653808594	168.0
271.12945556640625	156.0
271.88043212890625	156.0
273.05328369140625	148.0
275.08807373046875	168.0
275.1175231933594	112.0
276.0907287597656	112.0
276.1199951171875	308.0
277.0933532714844	280.0
277.134765625	228.0
277.50457763671875	152.0
278.1048583984375	2044.0
279.068359375	160.0
279.1094665527344	752.0
279.3552551269531	168.0
279.5107421875	148.0
279.737060546875	168.0
279.9001770019531	144.0
280.12115478515625	7592.0
280.24658203125	260.0
281.12481689453125	1336.0
282.1011962890625	140.0
282.1265563964844	424.0
282.1990966796875	156.0
283.390625	196.0
284.62493896484375	244.0
285.1221008300781	172.0
286.4747009277344	160.0
288.0669250488281	140.0
289.0504455566406	208.0
290.055908203125	140.0
290.091552734375	436.0
290.13555908203125	288.0
290.5720520019531	156.0
291.111572265625	1100.0
292.115966796875	692.0
292.56695556640625	144.0
292.6078186035156	172.0
293.1280517578125	18900.0
293.2224426269531	256.0
294.1302795410156	5232.0
295.1357727050781	784.0
296.11285400390625	404.0
296.267333984375	200.0
296.3215637207031	132.0
296.5421447753906	152.0
297.1236267089844	18100.0
297.86895751953125	192.0
298.12548828125	3892.0
298.583740234375	96.0
299.12872314453125	772.0
299.8034973144531	176.0
300.95654296875	212.0
302.3772888183594	172.0
302.53997802734375	148.0
304.8812255859375	140.0
305.0879821777344	108.0
307.10858154296875	116.0
307.761962890625	184.0
308.0832824707031	248.0
308.109619140625	148.0
308.1376647949219	512.0
309.12335205078125	8284.0
309.20611572265625	172.0
309.4879150390625	128.0
309.8561706542969	112.0
310.13043212890625	1732.0
310.19573974609375	132.0
310.9510192871094	164.0
311.1384582519531	2736.0
312.1100769042969	140.0
312.1415100097656	772.0
312.336181640625	140.0
312.61328125	196.0
313.13720703125	156.0
314.10711669921875	192.0
314.1459045410156	140.0
316.1103210449219	152.0
316.7015380859375	164.0
317.08416748046875	140.0
317.1125183105469	152.0
317.17987060546875	144.0
317.4599609375	164.0
318.0789489746094	5660.0
318.64044189453125	168.0
318.972412109375	168.0
319.1082763671875	42176.0
319.3287048339844	196.0
319.44891357421875	148.0
320.0147705078125	144.0
320.1115417480469	8048.0
321.0816955566406	216.0
321.11785888671875	1116.0
321.2607421875	152.0
321.49658203125	148.0
321.980712890625	108.0
322.116943359375	568.0
322.3275146484375	248.0
323.103515625	1152.0
324.1061096191406	540.0
325.1048583984375	144.0
326.09246826171875	664.0
329.23760986328125	196.0
330.6004943847656	176.0
331.3391418457031	232.0
334.1964416503906	140.0
335.12493896484375	348.0
335.5148620605469	180.0
336.13360595703125	180.0
336.40240478515625	244.0
336.8110656738281	132.0
336.91839599609375	148.0
337.0002746582031	180.0
337.038818359375	176.0
337.1192932128906	56252.0
337.2230529785156	140.0
337.2325744628906	200.0
337.66351318359375	120.0
337.7167663574219	160.0
337.7913513183594	144.0
337.8282470703125	172.0
338.0079040527344	124.0
338.054931640625	176.0
338.1218566894531	11920.0
338.2639465332031	148.0
338.3424987792969	216.0
338.6038513183594	100.0
338.9491271972656	208.0
339.1243896484375	1232.0
339.19091796875	132.0
339.4939270019531	152.0
340.1015625	412.0
340.60321044921875	112.0
340.740966796875	104.0
341.1114807128906	1444.0
341.56072998046875	148.0
342.1111145019531	256.0
343.830322265625	164.0
343.97796630859375	140.0
348.4143371582031	180.0
349.455322265625	140.0
350.0024719238281	172.0
350.69537353515625	152.0
352.87750244140625	132.0
353.43646240234375	148.0
353.5038146972656	156.0
353.6347961425781	160.0
354.408447265625	196.0
354.74188232421875	156.0
354.8278503417969	184.0
354.99560546875	132.0
355.0595397949219	184.0
355.1295166015625	82804.0
355.2188720703125	280.0
355.3816833496094	144.0
355.4134826660156	144.0
355.4926452636719	124.0
355.5432434082031	256.0
355.8767395019531	196.0
355.9356994628906	200.0
356.0794372558594	404.0
356.13214111328125	16332.0
357.0650329589844	124.0
357.13427734375	2708.0
357.1788024902344	272.0
357.3092346191406	204.0
358.09808349609375	220.0
358.132080078125	596.0
358.2666320800781	176.0
358.38275146484375	172.0
358.5160217285156	112.0
359.4662170410156	152.0
367.5765686035156	148.0
367.89715576171875	148.0
370.4056701660156	172.0
370.7005615234375	116.0
374.9454040527344	124.0
375.0666198730469	148.0
378.2532958984375	144.0
379.2332763671875	168.0
382.1553039550781	104.0
383.8049621582031	148.0
393.6344299316406	140.0
393.66998291015625	152.0
398.2799377441406	200.0
405.07293701171875	216.0
405.1822509765625	8632.0
406.1852111816406	2144.0
407.1854248046875	468.0
407.2469482421875	160.0
407.6888732910156	164.0
408.17828369140625	128.0
408.59930419921875	124.0
409.1772766113281	112.0
410.1963195800781	176.0
411.511474609375	144.0
422.1411437988281	160.0
422.5967712402344	144.0
423.19183349609375	14528.0
423.4886474609375	108.0
424.1954040527344	4212.0
425.19659423828125	1028.0
426.1991882324219	128.0
427.7234191894531	152.0
439.1610412597656	180.0
441.24896240234375	140.0
448.7600402832031	156.0
461.4546203613281	96.0
461.5618591308594	252.0
462.14849853515625	292.0
462.84552001953125	144.0
463.09820556640625	196.0
463.1566162109375	712.0
463.42376708984375	236.0
463.6307373046875	132.0
463.7156677246094	132.0
463.82861328125	108.0
463.8882141113281	256.0
464.0576171875	112.0
464.16473388671875	36332.0
464.3124694824219	160.0
464.36907958984375	144.0
464.75103759765625	292.0
464.9488830566406	140.0
464.9776916503906	212.0
465.022216796875	100.0
465.0589599609375	140.0
465.1670227050781	12068.0
465.68182373046875	164.0
466.1644287109375	3712.0
466.3934020996094	140.0
467.04693603515625	164.0
467.1615295410156	680.0
467.435791015625	120.0
467.697998046875	140.0
467.9004821777344	104.0
468.1852111816406	244.0
468.5381164550781	100.0
470.3647766113281	140.0
482.9483642578125	156.0
488.89312744140625	176.0
490.08203125	152.0
490.1435852050781	1256.0
491.1426696777344	176.0
491.828369140625	160.0
492.1432800292969	272.0
493.1548767089844	144.0
508.1543273925781	1804.0
509.150390625	632.0
510.1607666015625	164.0
511.162109375	156.0
532.224853515625	732.0
533.2384643554688	232.0
533.2760009765625	148.0
558.188720703125	108.0
574.1953735351562	116.0
575.2098388671875	1372.0
576.2174072265625	1340.0
577.2235717773438	808.0
578.2147827148438	320.0
730.0127563476562	144.0
871.4849243164062	144.0
957.1845092773438	140.0
1517.619140625	240.0
1619.71923828125	164.0
1708.2215576171875	168.0
1761.8245849609375	160.0
1788.6419677734375	152.0
1839.263671875	176.0
1854.565673828125	148.0
1921.96142578125	164.0
1948.2093505859375	156.0
1968.5462646484375	144.0
1969.146728515625	144.0
1988.0390625	200.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079106
PEPMASS=271.18457
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Doxylamine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CCOC(C)(c1ccccc1)c2ccccn2
INCHI=InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3
INCHIAUX=HCFDWZZGGLSKEP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079106
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079106
SCANS=993
45.13147735595703	176.0
45.266624450683594	144.0
45.442054748535156	168.0
45.76748275756836	168.0
45.864479064941406	200.0
45.946739196777344	212.0
46.2602653503418	144.0
46.32797622680664	140.0
46.374046325683594	200.0
46.494754791259766	256.0
46.5286865234375	172.0
46.752967834472656	156.0
46.872802734375	220.0
47.103370666503906	160.0
47.15802764892578	152.0
48.322792053222656	184.0
48.781612396240234	176.0
48.94739532470703	168.0
49.12579345703125	148.0
49.208133697509766	164.0
49.398193359375	164.0
49.511566162109375	144.0
49.53257751464844	168.0
49.68537902832031	152.0
49.860897064208984	148.0
50.07756423950195	184.0
50.64960861206055	164.0
50.78001022338867	156.0
51.69034194946289	148.0
52.00504684448242	216.0
52.20964431762695	156.0
52.4818000793457	172.0
52.73442840576172	160.0
52.88629913330078	152.0
52.89787673950195	180.0
53.047080993652344	284.0
53.176177978515625	160.0
53.22898864746094	200.0
53.349029541015625	148.0
53.49821090698242	156.0
53.71016311645508	144.0
53.94525909423828	184.0
54.73900604248047	180.0
54.7655143737793	168.0
54.88930892944336	180.0
55.224544525146484	192.0
55.38587951660156	140.0
55.97548294067383	192.0
56.59665298461914	188.0
56.688026428222656	176.0
56.723995208740234	176.0
56.77047348022461	160.0
56.873992919921875	140.0
57.25889587402344	144.0
57.68892288208008	164.0
57.93104934692383	140.0
58.156982421875	208.0
58.18886184692383	156.0
58.20708084106445	140.0
58.226112365722656	188.0
58.354469299316406	156.0
58.82521438598633	220.0
58.90462112426758	152.0
59.443580627441406	152.0
60.05430221557617	200.0
60.52874755859375	168.0
60.6666374206543	164.0
60.728660583496094	196.0
60.935123443603516	184.0
61.17306137084961	168.0
61.33350372314453	168.0
61.54567337036133	176.0
62.1561279296875	168.0
62.81533432006836	160.0
63.43045425415039	180.0
63.4811897277832	172.0
63.620811462402344	176.0
63.63986587524414	176.0
64.2191162109375	232.0
64.28133392333984	156.0
64.49374389648438	144.0
64.5113296508789	160.0
64.78176879882812	172.0
65.00115966796875	196.0
65.06080627441406	156.0
65.53364562988281	176.0
65.75617980957031	216.0
65.7965316772461	164.0
65.88697052001953	228.0
66.10363006591797	148.0
66.77526092529297	204.0
66.90218353271484	196.0
67.00804138183594	140.0
67.36531066894531	184.0
67.92842864990234	232.0
67.94884490966797	208.0
68.25525665283203	140.0
68.64708709716797	164.0
68.88813781738281	184.0
68.9178695678711	200.0
68.9608383178711	248.0
69.32990264892578	180.0
69.5604476928711	212.0
69.839599609375	160.0
69.97772216796875	172.0
70.0459976196289	188.0
70.07598876953125	204.0
70.2677230834961	216.0
70.33113098144531	204.0
70.37030029296875	188.0
70.61015319824219	184.0
70.78922271728516	200.0
71.5986557006836	160.0
71.82113647460938	160.0
71.89030456542969	168.0
72.52113342285156	224.0
72.768798828125	172.0
73.09004211425781	212.0
73.70658111572266	152.0
74.00834655761719	144.0
74.84626007080078	140.0
74.93755340576172	140.0
75.3775405883789	212.0
76.20577239990234	200.0
76.35527038574219	156.0
76.45791625976562	164.0
76.55714416503906	148.0
76.95645141601562	212.0
77.45136260986328	184.0
77.75292205810547	196.0
77.87055206298828	184.0
78.15709686279297	184.0
78.86956787109375	160.0
80.2008056640625	208.0
80.42375946044922	176.0
80.5934066772461	144.0
80.8008041381836	180.0
81.22537231445312	232.0
81.35816192626953	148.0
81.40843963623047	148.0
81.56654357910156	204.0
81.90736389160156	196.0
81.93004608154297	140.0
81.97689056396484	136.0
82.05619812011719	144.0
82.92930603027344	180.0
83.130615234375	164.0
83.28856658935547	156.0
83.3812255859375	172.0
84.02035522460938	144.0
84.1535873413086	152.0
84.29788208007812	176.0
84.37648010253906	176.0
84.70038604736328	144.0
85.06896209716797	144.0
85.1515884399414	148.0
85.68687438964844	220.0
86.19796752929688	204.0
86.73467254638672	144.0
86.88116455078125	260.0
87.38092041015625	224.0
87.64530944824219	140.0
87.9586181640625	144.0
88.02583312988281	212.0
88.18836212158203	156.0
88.51387786865234	156.0
88.65437316894531	164.0
88.74434661865234	144.0
88.77997589111328	204.0
88.98491668701172	180.0
89.60137939453125	148.0
89.77478790283203	164.0
89.93325805664062	148.0
90.0910415649414	760.0
90.71446990966797	152.0
91.0927734375	168.0
91.33539581298828	148.0
91.5199966430664	168.0
91.98707580566406	152.0
92.34629821777344	156.0
92.52616882324219	144.0
92.6142578125	180.0
92.72730255126953	152.0
93.09900665283203	160.0
93.26470947265625	188.0
93.67071533203125	196.0
93.83258819580078	172.0
94.17993927001953	148.0
94.20504760742188	240.0
95.07052612304688	152.0
95.29576873779297	140.0
95.73926544189453	148.0
95.99845123291016	232.0
96.34978485107422	212.0
97.12104797363281	148.0
97.24073028564453	144.0
97.26625061035156	180.0
97.62185668945312	176.0
97.84025573730469	148.0
97.95053100585938	168.0
98.00372314453125	168.0
98.37252044677734	184.0
99.15776824951172	208.0
99.91828918457031	140.0
100.20697021484375	144.0
100.90550231933594	200.0
101.0675048828125	196.0
101.1475601196289	144.0
101.63655853271484	140.0
101.8935546875	248.0
102.1468505859375	204.0
102.65035247802734	144.0
103.38768768310547	152.0
104.0549087524414	164.0
104.91104888916016	204.0
105.01300048828125	144.0
105.3681869506836	148.0
105.46422576904297	148.0
105.56031799316406	188.0
105.84679412841797	204.0
106.17261505126953	220.0
107.23139953613281	176.0
108.94469451904297	144.0
109.09431457519531	156.0
109.3210220336914	140.0
109.48548126220703	216.0
109.83563232421875	176.0
109.95246887207031	172.0
109.98795318603516	172.0
110.80560302734375	148.0
111.20402526855469	152.0
111.21871185302734	276.0
111.66178131103516	132.0
112.01353454589844	152.0
112.39302062988281	164.0
113.4822998046875	160.0
113.76658630371094	152.0
113.91523742675781	168.0
114.17879486083984	164.0
114.44478607177734	156.0
114.7366714477539	232.0
115.21257781982422	192.0
116.19738006591797	172.0
116.23385620117188	176.0
116.90214538574219	180.0
117.63710021972656	164.0
117.84395599365234	132.0
118.4155044555664	176.0
118.76011657714844	184.0
118.8425521850586	176.0
120.26795959472656	168.0
120.29634094238281	144.0
120.50161743164062	152.0
120.71800994873047	188.0
120.95429992675781	156.0
121.23741912841797	164.0
121.32669830322266	156.0
121.37712097167969	140.0
122.70513916015625	156.0
123.31217956542969	152.0
124.69738006591797	144.0
124.83521270751953	164.0
126.1216049194336	244.0
126.6742935180664	180.0
126.9185791015625	208.0
127.08904266357422	140.0
127.53731536865234	196.0
127.59846496582031	196.0
127.78779602050781	140.0
128.14352416992188	184.0
128.63290405273438	188.0
128.79998779296875	184.0
128.935546875	168.0
129.2725067138672	156.0
129.44454956054688	148.0
129.73681640625	180.0
130.16563415527344	224.0
130.30873107910156	148.0
130.8067626953125	276.0
131.48597717285156	164.0
131.547607421875	156.0
132.70750427246094	176.0
132.79234313964844	140.0
133.38014221191406	160.0
133.77578735351562	176.0
134.06161499023438	464.0
134.86683654785156	204.0
135.22071838378906	196.0
135.3109893798828	504.0
135.7581787109375	140.0
135.86720275878906	140.0
136.88522338867188	148.0
137.75282287597656	152.0
137.77999877929688	164.0
138.67239379882812	180.0
138.94204711914062	144.0
138.9678497314453	180.0
139.0583953857422	928.0
139.21090698242188	160.0
139.6396942138672	148.0
140.0557098388672	712.0
140.13873291015625	160.0
140.48294067382812	144.0
140.55844116210938	160.0
140.68588256835938	140.0
141.00949096679688	192.0
141.5796356201172	176.0
141.8189239501953	216.0
142.0584259033203	148.0
142.14857482910156	176.0
142.25537109375	160.0
142.50711059570312	140.0
143.01364135742188	156.0
143.09695434570312	176.0
144.31155395507812	156.0
144.82107543945312	184.0
146.714599609375	164.0
147.2237091064453	168.0
147.65386962890625	172.0
147.6780548095703	144.0
147.87033081054688	256.0
147.9805450439453	172.0
149.240966796875	172.0
149.3394775390625	172.0
149.57550048828125	148.0
149.98959350585938	236.0
150.30662536621094	160.0
150.48236083984375	140.0
150.58248901367188	212.0
150.77304077148438	140.0
150.91482543945312	144.0
150.9979705810547	144.0
151.05177307128906	172.0
151.92630004882812	160.0
152.06126403808594	156.0
152.2895965576172	176.0
152.30677795410156	196.0
152.3436279296875	172.0
152.4194793701172	96.0
152.5574188232422	140.0
152.91407775878906	140.0
153.06178283691406	164.0
153.27854919433594	196.0
153.7518310546875	160.0
153.7865753173828	144.0
153.81619262695312	140.0
154.1842041015625	160.0
154.4945068359375	216.0
154.5625457763672	228.0
154.77542114257812	172.0
154.84971618652344	144.0
154.95346069335938	172.0
155.10987854003906	144.0
155.30575561523438	208.0
155.8668212890625	188.0
156.16761779785156	148.0
156.26712036132812	220.0
156.47120666503906	160.0
157.14662170410156	296.0
157.29136657714844	140.0
157.59103393554688	160.0
157.74098205566406	212.0
158.2713623046875	176.0
158.53688049316406	140.0
158.59202575683594	156.0
158.6647186279297	168.0
159.2493896484375	172.0
159.4654541015625	156.0
159.58091735839844	168.0
160.13218688964844	140.0
160.3009796142578	188.0
160.3690185546875	224.0
160.7977752685547	144.0
162.1863250732422	240.0
162.40184020996094	160.0
163.40016174316406	164.0
163.51211547851562	156.0
163.58338928222656	144.0
163.65975952148438	208.0
163.8507843017578	232.0
163.8841552734375	164.0
164.1617431640625	208.0
164.30691528320312	148.0
164.6031951904297	180.0
165.07081604003906	180.0
165.1886749267578	148.0
165.21405029296875	188.0
165.66595458984375	176.0
165.77989196777344	156.0
165.99266052246094	180.0
166.03411865234375	144.0
166.06517028808594	1792.0
166.1774444580078	196.0
166.2132568359375	260.0
166.6240692138672	164.0
166.86944580078125	168.0
166.91964721679688	108.0
166.96778869628906	276.0
166.97801208496094	200.0
167.0497589111328	576.0
167.07455444335938	178776.0
167.13543701171875	180.0
167.17193603515625	400.0
167.19540405273438	232.0
167.28123474121094	184.0
167.334228515625	124.0
167.4076690673828	128.0
167.4986114501953	160.0
167.63150024414062	132.0
167.9716339111328	220.0
168.0079345703125	108.0
168.0762939453125	23764.0
168.15322875976562	128.0
168.1768341064453	140.0
168.578857421875	104.0
168.6469268798828	180.0
168.9259033203125	188.0
169.0321807861328	144.0
169.07962036132812	1436.0
169.14991760253906	124.0
169.22128295898438	128.0
169.244140625	112.0
169.2639617919922	104.0
169.31460571289062	152.0
169.333740234375	232.0
169.5176544189453	96.0
169.6175537109375	152.0
169.76174926757812	104.0
170.08705139160156	172.0
170.11300659179688	156.0
172.0393829345703	176.0
172.42333984375	160.0
172.89407348632812	160.0
173.7010498046875	168.0
173.9319610595703	156.0
174.1735382080078	140.0
174.7545166015625	200.0
175.26266479492188	140.0
175.77609252929688	140.0
175.8085174560547	168.0
176.03553771972656	148.0
177.27674865722656	96.0
177.55455017089844	192.0
177.9154052734375	152.0
178.27662658691406	312.0
179.24790954589844	196.0
179.80258178710938	164.0
180.08204650878906	1036.0
180.11764526367188	220.0
180.25656127929688	128.0
180.8663330078125	160.0
181.06344604492188	160.0
181.08944702148438	1624.0
181.33644104003906	292.0
181.41278076171875	160.0
181.4535369873047	176.0
181.53611755371094	156.0
181.6453857421875	200.0
181.7519989013672	172.0
181.79331970214844	168.0
181.8423309326172	220.0
181.86341857910156	144.0
181.9047393798828	176.0
181.95468139648438	168.0
181.9755096435547	140.0
182.02163696289062	208.0
182.04100036621094	192.0
182.0977783203125	252356.0
182.16712951660156	268.0
182.19979858398438	212.0
182.24472045898438	172.0
182.30224609375	172.0
182.3247528076172	236.0
182.3702850341797	160.0
182.40890502929688	204.0
182.49728393554688	144.0
182.53868103027344	1044.0
182.56983947753906	340.0
182.61703491210938	144.0
182.74505615234375	100.0
182.98976135253906	188.0
183.0469970703125	196.0
183.1002197265625	36848.0
183.16725158691406	148.0
183.24620056152344	208.0
183.32957458496094	100.0
183.39321899414062	120.0
183.416748046875	104.0
183.46426391601562	132.0
183.66256713867188	120.0
183.93682861328125	136.0
184.0040283203125	168.0
184.07125854492188	228.0
184.10208129882812	2524.0
184.28892517089844	180.0
184.3411102294922	184.0
184.40130615234375	164.0
184.4248809814453	104.0
184.50230407714844	116.0
184.53440856933594	184.0
184.57774353027344	132.0
184.67803955078125	316.0
185.1091766357422	220.0
185.41275024414062	160.0
185.49388122558594	128.0
185.70013427734375	148.0
190.94403076171875	152.0
191.44068908691406	120.0
194.7332000732422	148.0
195.03048706054688	140.0
211.10130310058594	476.0
212.10610961914062	176.0
215.79586791992188	140.0
216.18197631835938	140.0
226.123046875	1220.0
227.12657165527344	360.0
233.2871551513672	144.0
235.2092742919922	144.0
248.9791259765625	156.0
252.10421752929688	256.0
258.82257080078125	176.0
269.13104248046875	184.0
271.09124755859375	196.0
271.18206787109375	21664.0
272.0456848144531	132.0
272.1259765625	180.0
272.1829833984375	3244.0
273.1872863769531	920.0
274.38568115234375	100.0
275.8197937011719	188.0
305.35430908203125	172.0
557.4515380859375	140.0
1304.3814697265625	172.0
1320.9737548828125	172.0
1357.8226318359375	200.0
1368.18310546875	200.0
1378.6864013671875	172.0
1393.5804443359375	176.0
1396.1746826171875	172.0
1412.269287109375	152.0
1429.66748046875	144.0
1438.8179931640625	236.0
1455.0799560546875	176.0
1456.970947265625	164.0
1473.930908203125	164.0
1474.6875	140.0
1477.4122314453125	176.0
1498.39892578125	148.0
1516.11669921875	164.0
1519.7069091796875	144.0
1522.00439453125	204.0
1526.005859375	212.0
1550.1324462890625	196.0
1552.7822265625	188.0
1560.99658203125	164.0
1563.915283203125	144.0
1576.913330078125	172.0
1579.7362060546875	140.0
1580.9466552734375	248.0
1614.894287109375	164.0
1636.480712890625	148.0
1659.158935546875	140.0
1685.0638427734375	144.0
1696.03759765625	140.0
1699.161865234375	156.0
1706.1708984375	180.0
1709.259765625	144.0
1716.89599609375	144.0
1720.254150390625	196.0
1723.4254150390625	220.0
1727.8238525390625	200.0
1728.775390625	192.0
1731.225830078125	200.0
1731.6978759765625	160.0
1744.5592041015625	172.0
1751.03271484375	176.0
1754.990966796875	216.0
1755.7330322265625	148.0
1757.9854736328125	188.0
1761.734375	164.0
1764.0323486328125	192.0
1766.892333984375	164.0
1776.9794921875	172.0
1781.1348876953125	188.0
1783.0589599609375	176.0
1786.7586669921875	196.0
1807.0914306640625	168.0
1811.510498046875	148.0
1815.9520263671875	164.0
1831.2420654296875	168.0
1831.6881103515625	136.0
1831.9320068359375	192.0
1838.7191162109375	152.0
1843.0400390625	252.0
1843.253662109375	184.0
1846.42529296875	168.0
1848.2216796875	172.0
1848.6837158203125	164.0
1856.1705322265625	140.0
1857.268310546875	184.0
1869.9241943359375	144.0
1888.1798095703125	148.0
1888.5863037109375	200.0
1889.235107421875	220.0
1895.6334228515625	180.0
1895.74609375	156.0
1906.567626953125	200.0
1909.3843994140625	164.0
1912.2728271484375	160.0
1917.6466064453125	176.0
1922.6962890625	184.0
1924.1976318359375	184.0
1925.489990234375	144.0
1926.433349609375	208.0
1927.11474609375	168.0
1929.7891845703125	140.0
1936.7113037109375	184.0
1945.47998046875	180.0
1945.61474609375	148.0
1946.8848876953125	216.0
1948.73828125	208.0
1949.0897216796875	192.0
1949.968505859375	148.0
1950.302490234375	140.0
1952.6060791015625	180.0
1979.5928955078125	160.0
1986.11572265625	164.0
1988.70654296875	200.0
1990.1446533203125	200.0
1992.862548828125	172.0
1994.65771484375	160.0
2000.68896484375	152.0
2001.9176025390625	164.0
2003.3782958984375	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079107
PEPMASS=467.187805
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=LOTEPREDNOL ETABONATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCOC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)OCCl
INCHI=InChI=1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,19+,22-,23-,24-/m0/s1
INCHIAUX=DMKSVUSAATWOCU-HROMYWEYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079107
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079107
SCANS=2127
47.19222640991211	212.0
47.30167007446289	160.0
49.58864974975586	148.0
70.3094711303711	204.0
70.56336975097656	252.0
74.45594787597656	152.0
87.58573913574219	164.0
92.29853820800781	168.0
108.0864028930664	140.0
113.49720001220703	156.0
115.7023696899414	148.0
117.02704620361328	184.0
117.06795501708984	172.0
119.090087890625	148.0
121.06387329101562	300.0
129.07125854492188	380.0
131.085693359375	180.0
133.10452270507812	140.0
135.08116149902344	324.0
141.0662841796875	168.0
142.0760498046875	308.0
143.03988647460938	144.0
143.08035278320312	148.0
144.07960510253906	212.0
145.06712341308594	184.0
147.08152770996094	1100.0
148.0845489501953	344.0
155.58126831054688	192.0
157.05938720703125	164.0
157.09848022460938	460.0
157.13421630859375	160.0
158.06369018554688	160.0
159.0778350830078	272.0
161.0941162109375	132.0
163.73878479003906	152.0
170.07310485839844	128.0
171.08346557617188	888.0
172.08645629882812	500.0
173.09556579589844	648.0
174.10519409179688	216.0
185.09393310546875	388.0
186.11541748046875	248.0
187.1077880859375	164.0
193.0809326171875	304.0
195.07656860351562	140.0
196.08432006835938	112.0
197.09283447265625	176.0
199.64089965820312	196.0
205.0995330810547	152.0
207.07098388671875	152.0
208.08474731445312	120.0
209.09674072265625	384.0
209.1353302001953	144.0
209.1641082763672	184.0
210.10633850097656	468.0
210.5018310546875	152.0
212.11935424804688	144.0
214.08026123046875	152.0
217.1073455810547	184.0
219.11705017089844	148.0
221.66525268554688	144.0
223.1098175048828	888.0
224.12123107910156	136.0
225.1258544921875	212.0
226.14132690429688	148.0
234.13922119140625	192.0
235.8813934326172	196.0
236.1107177734375	208.0
236.2544708251953	232.0
237.07504272460938	204.0
237.13026428222656	644.0
242.10069274902344	212.0
248.11949157714844	200.0
249.12686157226562	192.0
250.12779235839844	296.0
251.08465576171875	396.0
251.15089416503906	152.0
260.9595947265625	152.0
263.1407775878906	96.0
264.7607727050781	164.0
265.1591491699219	3916.0
266.16162109375	736.0
267.177978515625	164.0
275.14569091796875	152.0
276.1394348144531	140.0
283.1709289550781	288.0
284.16552734375	148.0
290.6606750488281	160.0
293.155029296875	256.0
294.15924072265625	120.0
301.1330871582031	148.0
302.14935302734375	160.0
302.96636962890625	212.0
310.1587829589844	140.0
311.15704345703125	156.0
323.21685791015625	148.0
329.1328430175781	140.0
331.1440124511719	156.0
352.95819091796875	168.0
355.89202880859375	144.0
359.1404724121094	3532.0
360.1476135253906	700.0
361.13818359375	1020.0
362.15130615234375	120.0
407.46044921875	188.0
422.0190734863281	180.0
430.8223876953125	156.0
447.5935363769531	160.0
449.17486572265625	1052.0
449.2606506347656	152.0
450.17718505859375	544.0
451.1703796386719	400.0
467.1852722167969	484.0
467.25408935546875	168.0
468.2010498046875	144.0
469.2269592285156	140.0
1718.662109375	184.0
1982.1539306640625	212.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079108
PEPMASS=394.199677
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1nc2ccccn2c(=O)c1CCN3CCC(CC3)C(=O)c4ccc(F)cc4
INCHI=InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
INCHIAUX=HXCNRYXBZNHDNE-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079108
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079108
SCANS=1047
44.91374969482422	176.0
45.489139556884766	172.0
45.66112518310547	188.0
46.069541931152344	204.0
46.342830657958984	152.0
46.470279693603516	152.0
46.7175407409668	204.0
47.52337646484375	140.0
47.77915954589844	152.0
48.13614273071289	168.0
48.3642578125	192.0
48.660919189453125	160.0
48.72758102416992	184.0
49.033714294433594	184.0
49.104820251464844	152.0
49.156436920166016	248.0
49.3352165222168	184.0
49.543731689453125	172.0
50.13809585571289	140.0
50.17192459106445	192.0
50.30876541137695	168.0
51.24337387084961	152.0
51.74611282348633	188.0
51.780479431152344	144.0
52.01131820678711	184.0
52.291595458984375	176.0
52.75494384765625	192.0
52.78497314453125	180.0
53.0745735168457	180.0
53.517738342285156	156.0
53.60513687133789	144.0
54.4800910949707	144.0
54.59032440185547	212.0
54.861236572265625	160.0
55.218570709228516	184.0
55.26738739013672	196.0
55.67354965209961	212.0
55.85487365722656	156.0
56.07076644897461	196.0
56.26915740966797	140.0
56.44097900390625	152.0
56.50978469848633	184.0
56.530731201171875	224.0
56.54120635986328	152.0
56.57563400268555	148.0
56.77641296386719	152.0
57.07524490356445	160.0
57.403507232666016	236.0
57.48798370361328	184.0
57.80229949951172	188.0
57.897666931152344	140.0
58.21461486816406	144.0
58.32248306274414	140.0
58.54156494140625	172.0
58.64059066772461	220.0
58.706146240234375	180.0
59.078826904296875	148.0
59.19514846801758	172.0
59.24390411376953	96.0
59.25794982910156	232.0
59.563232421875	176.0
59.656314849853516	160.0
60.23638153076172	148.0
60.33595275878906	212.0
61.270992279052734	160.0
61.428558349609375	160.0
61.47224426269531	168.0
61.501258850097656	208.0
61.76127243041992	292.0
61.86298370361328	188.0
62.156063079833984	168.0
62.22198486328125	140.0
62.23768615722656	188.0
62.322505950927734	160.0
62.49238967895508	160.0
62.76165008544922	204.0
62.785301208496094	228.0
63.262474060058594	188.0
63.41136932373047	180.0
63.79708480834961	200.0
64.72404479980469	148.0
65.32267761230469	160.0
65.6447982788086	220.0
66.98873138427734	168.0
67.11717224121094	144.0
67.63996124267578	212.0
67.68416595458984	164.0
67.92015838623047	164.0
68.79888916015625	176.0
69.21056365966797	168.0
70.34608459472656	152.0
70.92150115966797	152.0
71.0757827758789	172.0
71.16642761230469	204.0
71.29912567138672	140.0
71.31257629394531	144.0
71.48748016357422	192.0
71.52951049804688	164.0
72.44480895996094	184.0
73.00831604003906	224.0
73.90728759765625	168.0
73.92952728271484	180.0
74.43694305419922	188.0
74.80184936523438	212.0
74.8944091796875	240.0
75.28083038330078	132.0
76.00601959228516	152.0
76.19180297851562	168.0
76.33084869384766	172.0
76.45435333251953	204.0
76.49612426757812	228.0
77.37947845458984	148.0
77.41099548339844	140.0
78.69989776611328	172.0
78.93490600585938	164.0
79.21630859375	180.0
79.7841796875	148.0
80.6397933959961	184.0
80.88024139404297	248.0
80.94749450683594	152.0
81.6977310180664	212.0
82.14628601074219	148.0
82.64129638671875	152.0
82.67567443847656	160.0
82.86942291259766	184.0
82.94010162353516	176.0
83.32844543457031	204.0
83.37387084960938	168.0
83.6048355102539	168.0
83.6559829711914	136.0
83.76312255859375	200.0
84.49160766601562	208.0
84.54833221435547	156.0
84.76441955566406	140.0
84.99729919433594	176.0
85.30400848388672	184.0
85.7420654296875	188.0
86.31803131103516	160.0
86.35501861572266	208.0
87.16514587402344	160.0
87.191162109375	220.0
87.6955337524414	144.0
87.97346496582031	172.0
88.26866149902344	188.0
88.31996154785156	168.0
88.42290496826172	208.0
88.6336669921875	160.0
91.18700408935547	148.0
91.6360855102539	192.0
91.81145477294922	228.0
91.9220962524414	176.0
91.9984359741211	140.0
92.3595962524414	148.0
92.9458236694336	212.0
93.76695251464844	180.0
94.05281829833984	144.0
94.74274444580078	276.0
95.6418228149414	200.0
96.17393493652344	140.0
97.39335632324219	148.0
97.62962341308594	144.0
97.85984802246094	180.0
98.00165557861328	148.0
98.28755950927734	172.0
98.61537170410156	160.0
99.13190460205078	216.0
99.65260314941406	156.0
100.4287109375	180.0
101.36775970458984	152.0
101.60635375976562	188.0
102.08841705322266	208.0
102.25137329101562	144.0
102.26747131347656	176.0
102.74100494384766	192.0
102.88327026367188	316.0
102.95899963378906	228.0
103.1024398803711	156.0
103.19744110107422	140.0
103.32080841064453	188.0
104.41004943847656	176.0
104.52397155761719	216.0
104.93426513671875	172.0
105.39259338378906	176.0
105.73204803466797	164.0
105.79550170898438	160.0
106.423583984375	180.0
106.72283172607422	204.0
107.20449829101562	148.0
107.36942291259766	224.0
107.43749237060547	180.0
107.58194732666016	144.0
107.75335693359375	180.0
107.82774353027344	172.0
108.06761932373047	152.0
108.13797760009766	152.0
108.99028778076172	152.0
109.14202117919922	200.0
109.61869049072266	156.0
109.78128814697266	172.0
110.28386688232422	132.0
110.45170593261719	220.0
110.97315979003906	140.0
111.7944564819336	176.0
112.33383178710938	180.0
112.85269927978516	168.0
113.5606460571289	172.0
113.90025329589844	180.0
114.02986145019531	152.0
114.07662200927734	188.0
114.2190933227539	144.0
114.59296417236328	128.0
114.65555572509766	232.0
114.70671081542969	196.0
115.12702178955078	144.0
115.49034881591797	196.0
115.74929809570312	168.0
116.92354583740234	192.0
117.17332458496094	304.0
117.25133514404297	196.0
117.62351989746094	136.0
118.0655288696289	440.0
118.25398254394531	212.0
118.6038818359375	144.0
118.83592224121094	184.0
118.9615249633789	160.0
118.9943618774414	208.0
119.0411376953125	184.0
119.06088256835938	12768.0
119.12830352783203	124.0
119.33438110351562	220.0
119.65776824951172	144.0
119.70318603515625	180.0
119.91280364990234	128.0
120.06270599365234	1348.0
120.1958236694336	256.0
120.30712890625	236.0
120.5910873413086	176.0
120.99663543701172	252.0
121.04071044921875	464.0
121.07560729980469	276.0
121.6512451171875	164.0
122.04669952392578	200.0
122.18746185302734	148.0
122.48684692382812	168.0
122.51988983154297	248.0
122.74911499023438	176.0
123.02808380126953	208.0
123.06243133544922	180.0
124.06242370605469	152.0
124.11119842529297	220.0
124.15088653564453	116.0
124.23983764648438	152.0
124.30195617675781	140.0
124.8573226928711	216.0
125.09928131103516	188.0
126.94984436035156	208.0
127.0462875366211	176.0
127.34707641601562	200.0
127.9249496459961	216.0
129.0054931640625	148.0
129.32894897460938	156.0
129.9770965576172	160.0
130.1246337890625	152.0
130.21319580078125	208.0
130.56431579589844	176.0
131.0606231689453	212.0
131.07765197753906	140.0
131.273681640625	140.0
131.68174743652344	124.0
131.83297729492188	180.0
133.0905303955078	152.0
133.43368530273438	180.0
135.02622985839844	220.0
135.42431640625	224.0
136.2036590576172	144.0
136.73143005371094	204.0
136.8338623046875	152.0
138.49183654785156	164.0
139.0193328857422	196.0
139.93133544921875	176.0
140.07028198242188	156.0
140.48043823242188	152.0
141.78086853027344	216.0
142.0653839111328	160.0
142.5830078125	168.0
142.92068481445312	152.0
142.9658966064453	148.0
143.1325225830078	192.0
143.8071746826172	164.0
144.06529235839844	132.0
144.3255615234375	144.0
144.35903930664062	152.0
144.48341369628906	144.0
145.07725524902344	1248.0
145.13487243652344	192.0
145.4539337158203	192.0
146.00173950195312	236.0
146.0858917236328	280.0
146.3289794921875	172.0
147.1390380859375	176.0
147.86178588867188	160.0
148.15719604492188	144.0
148.30015563964844	140.0
149.0208740234375	148.0
149.2212677001953	116.0
149.7896270751953	168.0
149.8976593017578	220.0
149.91876220703125	296.0
151.0345001220703	140.0
151.70053100585938	172.0
151.76182556152344	196.0
152.16665649414062	184.0
152.19366455078125	168.0
152.25750732421875	160.0
152.35287475585938	160.0
152.51010131835938	128.0
152.5843048095703	172.0
152.8663330078125	140.0
153.43614196777344	152.0
153.50270080566406	156.0
153.6487274169922	156.0
153.7074432373047	144.0
153.73211669921875	180.0
153.78640747070312	196.0
154.2013397216797	252.0
154.3199920654297	176.0
155.53138732910156	212.0
155.62571716308594	184.0
156.64288330078125	148.0
156.6852264404297	184.0
156.76246643066406	144.0
156.86215209960938	140.0
157.0117645263672	240.0
157.04168701171875	144.0
157.07411193847656	260.0
157.11651611328125	164.0
157.2886962890625	152.0
158.08741760253906	296.0
158.6018829345703	144.0
158.87521362304688	148.0
159.09251403808594	4532.0
159.16635131835938	168.0
159.28689575195312	144.0
159.56332397460938	140.0
159.65133666992188	204.0
159.88389587402344	136.0
160.09378051757812	704.0
160.34112548828125	164.0
160.52767944335938	148.0
160.71685791015625	144.0
161.1132354736328	408.0
161.39630126953125	232.0
161.81378173828125	140.0
161.83656311035156	156.0
162.83567810058594	196.0
163.166015625	144.0
163.28807067871094	152.0
164.27635192871094	272.0
165.0604248046875	224.0
165.72335815429688	148.0
165.79510498046875	172.0
166.24644470214844	172.0
166.96372985839844	172.0
167.33114624023438	204.0
167.41612243652344	212.0
167.6531219482422	220.0
167.70982360839844	140.0
169.03726196289062	164.0
170.20889282226562	204.0
171.338623046875	140.0
171.6081085205078	100.0
172.57215881347656	196.0
172.7604522705078	172.0
172.94100952148438	168.0
173.0335235595703	164.0
173.16616821289062	188.0
173.43605041503906	152.0
173.55401611328125	188.0
173.58023071289062	152.0
173.87928771972656	172.0
174.0367889404297	196.0
174.14971923828125	148.0
174.7332763671875	180.0
174.7739715576172	164.0
174.85696411132812	192.0
175.02806091308594	216.0
175.0807342529297	164.0
175.2229766845703	152.0
175.5760040283203	120.0
176.13043212890625	200.0
176.79669189453125	140.0
177.06890869140625	348.0
177.16737365722656	144.0
178.01080322265625	164.0
178.07984924316406	224.0
178.21002197265625	176.0
178.547607421875	192.0
179.17845153808594	200.0
179.69833374023438	144.0
179.90475463867188	140.0
180.0854034423828	284.0
180.37501525878906	164.0
180.40872192382812	152.0
180.7109375	184.0
180.86346435546875	140.0
180.92771911621094	200.0
180.9815216064453	120.0
181.20892333984375	144.0
181.24107360839844	164.0
181.35897827148438	172.0
181.39918518066406	164.0
182.45687866210938	172.0
182.8738250732422	156.0
183.06497192382812	144.0
183.1807861328125	152.0
183.2589111328125	244.0
183.5011749267578	220.0
183.62281799316406	196.0
184.16261291503906	152.0
184.26795959472656	168.0
184.3192901611328	204.0
184.98460388183594	232.0
185.1849822998047	156.0
185.37733459472656	208.0
185.6185760498047	388.0
185.70498657226562	176.0
185.8391876220703	168.0
185.94288635253906	168.0
185.99024963378906	168.0
186.02825927734375	416.0
186.07191467285156	288.0
186.20654296875	212.0
186.24317932128906	132.0
186.31246948242188	188.0
186.37448120117188	132.0
186.60206604003906	212.0
186.6256561279297	172.0
186.65846252441406	208.0
186.7015380859375	220.0
186.73199462890625	180.0
186.7604522705078	304.0
186.7945556640625	212.0
186.81565856933594	168.0
186.83982849121094	140.0
186.86529541015625	572.0
186.90342712402344	184.0
186.92611694335938	304.0
186.95462036132812	308.0
187.00086975097656	188.0
187.03805541992188	244.0
187.05770874023438	284.0
187.08840942382812	257816.0
187.1568603515625	248.0
187.19789123535156	240.0
187.23150634765625	156.0
187.2836456298828	180.0
187.31878662109375	216.0
187.3436737060547	324.0
187.36849975585938	216.0
187.45562744140625	368.0
187.5017852783203	164.0
187.53482055664062	2868.0
187.6668701171875	96.0
187.68739318847656	132.0
187.74606323242188	232.0
187.78509521484375	180.0
187.8604736328125	320.0
187.90260314941406	188.0
187.99069213867188	444.0
188.0123748779297	128.0
188.05421447753906	292.0
188.09019470214844	36012.0
188.16567993164062	136.0
188.25283813476562	160.0
188.3384246826172	104.0
188.42041015625	164.0
188.5325927734375	144.0
188.5689239501953	148.0
188.59812927246094	224.0
188.7700958251953	128.0
188.89842224121094	212.0
188.9832305908203	136.0
189.0142059326172	256.0
189.05880737304688	140.0
189.09217834472656	3692.0
189.18008422851562	248.0
189.2414093017578	196.0
189.2708740234375	156.0
189.2959747314453	192.0
189.3406982421875	112.0
189.38775634765625	204.0
189.48008728027344	168.0
189.5531463623047	260.0
189.57745361328125	116.0
189.62503051757812	100.0
189.69569396972656	152.0
189.86761474609375	132.0
190.10159301757812	348.0
190.15809631347656	140.0
190.2553253173828	104.0
190.34336853027344	112.0
190.44131469726562	104.0
190.62770080566406	140.0
191.06961059570312	288.0
191.173828125	160.0
191.42970275878906	152.0
191.45388793945312	168.0
191.806884765625	164.0
193.79779052734375	120.0
194.38043212890625	148.0
194.79689025878906	144.0
195.49752807617188	148.0
195.83717346191406	240.0
196.06005859375	164.0
196.1087646484375	184.0
196.84951782226562	160.0
196.92771911621094	160.0
197.02371215820312	132.0
198.01287841796875	232.0
199.99508666992188	176.0
200.2118682861328	164.0
200.40623474121094	152.0
200.8585205078125	136.0
201.49244689941406	188.0
202.42300415039062	168.0
202.92654418945312	168.0
204.17959594726562	184.0
204.92697143554688	180.0
205.1134796142578	148.0
208.11520385742188	704.0
208.65184020996094	116.0
208.919189453125	152.0
209.11212158203125	140.0
209.8407745361328	180.0
210.96435546875	104.0
211.0649871826172	212.0
211.75660705566406	172.0
213.73934936523438	148.0
215.1817169189453	152.0
216.0237579345703	176.0
216.7732696533203	160.0
219.0767364501953	168.0
220.1141357421875	1288.0
220.64378356933594	180.0
220.8685302734375	216.0
220.8892364501953	140.0
221.11085510253906	412.0
221.4219970703125	160.0
223.46127319335938	236.0
225.7161865234375	180.0
226.52723693847656	160.0
227.6459503173828	184.0
227.91929626464844	188.0
228.82762145996094	180.0
228.94204711914062	144.0
231.10333251953125	144.0
233.87191772460938	188.0
234.132080078125	280.0
234.52442932128906	160.0
234.57151794433594	168.0
234.7727508544922	148.0
236.76220703125	184.0
237.780029296875	140.0
237.85983276367188	152.0
238.01026916503906	148.0
238.25596618652344	144.0
238.84925842285156	164.0
239.2369842529297	196.0
239.9393768310547	152.0
240.11512756347656	176.0
241.2266845703125	160.0
242.9918670654297	160.0
243.70907592773438	152.0
243.9514923095703	148.0
244.33399963378906	148.0
246.3759765625	172.0
248.88465881347656	200.0
249.0416717529297	140.0
249.3590087890625	192.0
250.8982391357422	184.0
251.01123046875	148.0
251.15049743652344	192.0
251.5102081298828	184.0
252.76168823242188	164.0
254.04165649414062	224.0
256.28619384765625	164.0
257.3451232910156	204.0
257.4696350097656	160.0
257.9798889160156	180.0
258.0991516113281	140.0
258.3358154296875	144.0
258.380615234375	220.0
258.67864990234375	152.0
258.8575134277344	212.0
259.7388610839844	152.0
261.03704833984375	128.0
261.1650085449219	168.0
262.817626953125	184.0
262.93701171875	244.0
264.2165832519531	152.0
266.26190185546875	176.0
267.4858093261719	148.0
268.9185791015625	164.0
269.6763000488281	148.0
270.9852294921875	168.0
272.26123046875	208.0
272.4484558105469	140.0
274.6270751953125	192.0
275.6146240234375	200.0
275.8459777832031	140.0
278.2742614746094	184.0
278.6861267089844	208.0
281.7011413574219	220.0
283.280029296875	140.0
284.1208190917969	168.0
284.6014099121094	168.0
284.6349792480469	184.0
284.8633728027344	196.0
285.1422424316406	204.0
286.97344970703125	144.0
287.7561950683594	148.0
288.6921691894531	160.0
290.181396484375	180.0
290.40582275390625	172.0
291.0166320800781	152.0
292.4103698730469	152.0
292.8972473144531	168.0
293.15277099609375	148.0
293.5209045410156	164.0
296.4083251953125	128.0
296.4983825683594	140.0
296.7726135253906	172.0
297.29400634765625	216.0
298.4241027832031	200.0
299.3669128417969	172.0
299.6138000488281	140.0
300.13531494140625	172.0
301.1775207519531	168.0
301.6336364746094	148.0
302.3288269042969	160.0
304.0650634765625	188.0
304.1067199707031	172.0
304.2698669433594	152.0
304.3636169433594	156.0
304.4573669433594	156.0
305.4339904785156	144.0
306.58990478515625	148.0
308.0622863769531	144.0
309.1788330078125	180.0
309.39117431640625	168.0
310.75799560546875	176.0
311.3336486816406	148.0
311.66033935546875	144.0
312.19464111328125	156.0
313.41607666015625	156.0
313.6768798828125	168.0
313.7438659667969	168.0
313.7685241699219	180.0
314.23211669921875	116.0
314.8941650390625	156.0
316.2518310546875	176.0
316.64837646484375	180.0
317.0132751464844	180.0
317.70465087890625	144.0
318.6004943847656	152.0
319.3564147949219	176.0
319.7015075683594	148.0
319.9364013671875	228.0
321.71173095703125	204.0
323.0160217285156	152.0
323.76763916015625	148.0
324.4735412597656	156.0
325.7345275878906	184.0
326.48431396484375	160.0
327.8883361816406	156.0
328.9090270996094	144.0
330.4412536621094	144.0
330.57513427734375	168.0
330.80316162109375	188.0
331.205078125	176.0
332.80072021484375	148.0
332.9677734375	140.0
333.2002258300781	160.0
333.5309143066406	176.0
334.02178955078125	168.0
334.5130310058594	156.0
335.1066589355469	200.0
335.8138427734375	160.0
335.97625732421875	160.0
336.8468017578125	176.0
340.8107604980469	140.0
341.40625	204.0
341.50921630859375	160.0
341.6820983886719	192.0
343.704833984375	200.0
344.1293029785156	148.0
345.94451904296875	188.0
346.1999816894531	212.0
346.3851623535156	152.0
346.8446350097656	184.0
347.2413635253906	220.0
347.460205078125	180.0
347.9013671875	96.0
348.0964660644531	208.0
348.5072021484375	140.0
348.9866638183594	152.0
349.04986572265625	160.0
349.8758544921875	168.0
352.1541748046875	148.0
353.7320861816406	144.0
354.97967529296875	148.0
355.1521911621094	216.0
357.6734313964844	144.0
358.0361633300781	152.0
358.0800476074219	204.0
359.0257263183594	116.0
361.1523132324219	168.0
362.2651672363281	200.0
362.50567626953125	184.0
363.4214782714844	184.0
364.5796203613281	140.0
364.7658386230469	216.0
365.21453857421875	188.0
368.0345764160156	144.0
368.1796569824219	172.0
368.5129089355469	152.0
368.63427734375	144.0
369.135009765625	160.0
369.2076721191406	188.0
370.4477844238281	144.0
370.87310791015625	196.0
370.9344482421875	148.0
372.0968017578125	160.0
373.4148254394531	156.0
373.861083984375	160.0
374.4385681152344	176.0
376.16204833984375	260.0
376.6472473144531	232.0
376.8610534667969	176.0
378.4081115722656	140.0
378.4971618652344	148.0
378.5450439453125	220.0
378.7653503417969	316.0
379.2525939941406	148.0
379.6480712890625	164.0
379.9855041503906	160.0
382.17291259765625	144.0
382.974853515625	172.0
383.4579772949219	144.0
383.6294860839844	160.0
383.7191467285156	152.0
384.59295654296875	152.0
384.7061462402344	192.0
385.17779541015625	188.0
386.4304504394531	188.0
386.47265625	144.0
386.5430908203125	156.0
387.1241149902344	148.0
387.3691711425781	168.0
388.6224365234375	140.0
388.9023132324219	120.0
388.99627685546875	132.0
389.24383544921875	196.0
390.39520263671875	304.0
390.59356689453125	160.0
390.7151794433594	188.0
390.74920654296875	256.0
391.1593017578125	136.0
391.21759033203125	148.0
391.31201171875	172.0
391.48345947265625	100.0
391.5758361816406	164.0
391.75701904296875	124.0
391.81732177734375	252.0
391.85552978515625	164.0
391.9106750488281	160.0
391.9449157714844	232.0
392.005615234375	176.0
392.1033630371094	132.0
392.1806335449219	104.0
392.2496643066406	156.0
392.36407470703125	144.0
392.43310546875	132.0
392.4808044433594	144.0
392.5505065917969	100.0
392.6374206542969	220.0
392.8395690917969	332.0
392.8686828613281	232.0
392.9234924316406	168.0
392.9849853515625	136.0
393.0240478515625	340.0
393.1463928222656	176.0
393.17822265625	368.0
393.21221923828125	260.0
393.2880554199219	212.0
393.3289794921875	284.0
393.391357421875	104.0
393.4452819824219	292.0
393.552734375	136.0
393.6195068359375	320.0
393.6727600097656	204.0
393.74566650390625	388.0
393.78887939453125	380.0
393.82373046875	268.0
393.8829345703125	256.0
393.9493408203125	532.0
393.9818115234375	112.0
394.0246887207031	476.0
394.0510559082031	360.0
394.1954345703125	221476.0
394.31365966796875	180.0
394.34326171875	396.0
394.45611572265625	264.0
394.571044921875	372.0
394.6306457519531	372.0
394.7591552734375	172.0
394.7857666015625	396.0
394.8468322753906	7384.0
394.8968811035156	384.0
394.9405212402344	360.0
394.9932861328125	200.0
395.0478515625	176.0
395.0809631347656	308.0
395.1260681152344	724.0
395.1976318359375	128808.0
395.30328369140625	352.0
395.3719787597656	116.0
395.4668884277344	208.0
395.5341491699219	284.0
395.5750732421875	332.0
395.6549377441406	204.0
395.700439453125	108.0
395.7925720214844	196.0
395.8499450683594	664.0
395.9090881347656	296.0
396.02716064453125	112.0
396.05792236328125	100.0
396.13311767578125	276.0
396.199462890625	17888.0
396.3095397949219	124.0
396.4604797363281	256.0
396.50103759765625	224.0
396.73968505859375	192.0
396.80523681640625	176.0
396.85443115234375	184.0
396.9014587402344	104.0
397.0599060058594	108.0
397.1036376953125	188.0
397.1493225097656	168.0
397.2021789550781	1788.0
397.2738952636719	196.0
397.31695556640625	168.0
397.36041259765625	112.0
397.40887451171875	232.0
397.4936828613281	312.0
397.58203125	336.0
397.6541442871094	224.0
397.7149963378906	360.0
397.7718505859375	212.0
397.8092346191406	372.0
397.877197265625	292.0
397.9071960449219	224.0
397.9521789550781	124.0
397.9939880371094	140.0
398.1147766113281	144.0
398.2078857421875	252.0
398.3014831542969	104.0
398.3500671386719	108.0
398.4345703125	132.0
398.5090026855469	120.0
398.56597900390625	276.0
398.63177490234375	140.0
398.6693115234375	188.0
398.7802734375	144.0
398.88507080078125	160.0
398.949462890625	120.0
399.82525634765625	112.0
401.001220703125	104.0
402.2717590332031	128.0
402.708984375	164.0
404.21868896484375	100.0
406.3087158203125	176.0
408.4125061035156	156.0
409.1622009277344	148.0
410.9826965332031	152.0
417.0395202636719	124.0
423.8838195800781	120.0
464.98028564453125	144.0
469.329345703125	200.0
472.9278869628906	164.0
496.56048583984375	96.0
513.33203125	104.0
520.9414672851562	160.0
526.1146240234375	140.0
557.4885864257812	144.0
609.2828979492188	148.0
612.8153076171875	184.0
710.5751953125	140.0
763.376220703125	140.0
1247.6072998046875	268.0
1376.2843017578125	184.0
1518.7977294921875	168.0
1534.7244873046875	236.0
1548.015869140625	148.0
1567.1502685546875	176.0
1568.206298828125	172.0
1576.255859375	168.0
1581.111328125	176.0
1584.8568115234375	180.0
1586.9017333984375	164.0
1604.759033203125	224.0
1606.792724609375	220.0
1613.3173828125	152.0
1619.0062255859375	260.0
1625.6839599609375	152.0
1645.3321533203125	136.0
1656.936767578125	200.0
1662.01220703125	176.0
1673.4073486328125	216.0
1675.1827392578125	140.0
1678.206298828125	152.0
1681.7548828125	160.0
1691.3260498046875	204.0
1695.2490234375	164.0
1703.5357666015625	148.0
1707.5386962890625	148.0
1711.8839111328125	216.0
1720.5660400390625	144.0
1728.0372314453125	168.0
1733.692626953125	176.0
1765.9285888671875	176.0
1773.4891357421875	168.0
1774.0423583984375	208.0
1775.03173828125	168.0
1777.9090576171875	140.0
1781.7630615234375	168.0
1792.98779296875	168.0
1795.322998046875	188.0
1795.567626953125	264.0
1805.6260986328125	184.0
1828.158447265625	156.0
1859.205322265625	164.0
1859.376953125	236.0
1867.9002685546875	180.0
1869.905029296875	260.0
1872.82373046875	144.0
1883.2774658203125	228.0
1885.7225341796875	160.0
1889.882080078125	192.0
1894.409912109375	144.0
1898.787109375	184.0
1904.3968505859375	152.0
1911.3397216796875	148.0
1916.0675048828125	152.0
1930.0321044921875	168.0
1931.9736328125	176.0
1947.198974609375	164.0
1950.722412109375	140.0
1954.477783203125	160.0
1956.009033203125	204.0
1957.0831298828125	144.0
1957.2503662109375	164.0
1958.278564453125	216.0
1959.2320556640625	160.0
1960.1923828125	176.0
1965.306640625	180.0
1966.480224609375	184.0
1978.51953125	236.0
1980.263916015625	216.0
1984.393310546875	404.0
1984.845458984375	148.0
1988.5980224609375	240.0
1998.3017578125	200.0
2001.6484375	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079109
PEPMASS=197.603333
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one" [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1nc2ccccn2c(=O)c1CCN3CCC(CC3)C(=O)c4ccc(F)cc4
INCHI=InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
INCHIAUX=HXCNRYXBZNHDNE-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079109
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079109
SCANS=1048
45.07395553588867	356.0
45.14748001098633	208.0
45.533451080322266	176.0
46.1141357421875	164.0
46.516422271728516	180.0
46.570735931396484	208.0
46.645469665527344	192.0
46.716705322265625	156.0
47.89616775512695	180.0
48.06574249267578	160.0
49.13411331176758	156.0
49.34220504760742	180.0
49.92551803588867	260.0
50.217044830322266	224.0
50.67505645751953	172.0
50.98384475708008	208.0
51.33174514770508	212.0
51.39593505859375	184.0
51.49871826171875	156.0
53.44496536254883	164.0
53.479888916015625	208.0
53.806419372558594	176.0
54.44483947753906	224.0
55.05600357055664	168.0
55.97691345214844	152.0
56.28110122680664	148.0
56.423038482666016	164.0
56.526241302490234	144.0
56.779415130615234	256.0
57.282936096191406	200.0
58.19487762451172	172.0
58.278411865234375	148.0
58.97484588623047	224.0
59.057411193847656	144.0
59.24569320678711	148.0
60.62162780761719	164.0
60.96613693237305	220.0
60.99721908569336	160.0
61.597145080566406	240.0
61.6190185546875	196.0
61.91621780395508	200.0
62.451412200927734	168.0
62.500179290771484	180.0
62.659202575683594	188.0
63.455753326416016	184.0
63.98003005981445	196.0
64.72404479980469	164.0
64.82015991210938	184.0
64.9644546508789	168.0
65.96770477294922	160.0
66.325439453125	216.0
66.44219970703125	184.0
66.58991241455078	152.0
67.19709014892578	172.0
67.21504211425781	204.0
67.26563262939453	140.0
67.65960693359375	216.0
67.78080749511719	176.0
67.80374908447266	188.0
67.84144592285156	156.0
67.8946762084961	224.0
68.643798828125	140.0
68.83771514892578	152.0
69.08808898925781	156.0
69.10298156738281	204.0
69.43428039550781	204.0
70.08091735839844	200.0
70.44096374511719	176.0
70.776611328125	148.0
71.10767364501953	184.0
71.99996185302734	176.0
72.3347396850586	148.0
72.42448425292969	148.0
72.5024185180664	192.0
72.60073852539062	188.0
73.55181884765625	164.0
74.0116958618164	184.0
74.08191680908203	176.0
74.6104736328125	140.0
74.94436645507812	168.0
75.34117889404297	144.0
75.46561431884766	160.0
76.6772689819336	164.0
77.15904235839844	168.0
77.37598419189453	216.0
77.45303344726562	192.0
77.85115814208984	172.0
78.57106018066406	148.0
79.85530853271484	228.0
79.97273254394531	180.0
80.42546081542969	152.0
81.86151885986328	196.0
82.4134750366211	212.0
82.54067993164062	184.0
83.59391784667969	156.0
83.71041870117188	156.0
83.726806640625	164.0
84.34165954589844	260.0
84.73326873779297	228.0
85.03950500488281	188.0
85.11109924316406	152.0
85.51737213134766	164.0
85.6794204711914	236.0
86.18494415283203	196.0
86.61599731445312	200.0
86.63081359863281	192.0
86.82913970947266	180.0
88.10044860839844	160.0
88.2705307006836	172.0
88.54562377929688	188.0
88.68426513671875	200.0
88.77238464355469	168.0
88.92809295654297	152.0
89.0895767211914	140.0
89.71623992919922	156.0
89.78789520263672	220.0
90.78453063964844	156.0
90.8528060913086	208.0
90.9287109375	172.0
91.49324798583984	208.0
92.04808044433594	168.0
92.1282958984375	152.0
92.27545166015625	200.0
92.87867736816406	168.0
92.89785766601562	160.0
93.04276275634766	220.0
93.05823516845703	480.0
94.046875	3568.0
94.0643081665039	652.0
94.09680938720703	212.0
94.54830169677734	740.0
94.80862426757812	196.0
95.03018188476562	832.0
95.06092834472656	1088.0
95.09954071044922	148.0
95.85565185546875	156.0
95.92426300048828	152.0
96.06390380859375	164.0
97.04309844970703	212.0
97.10917663574219	176.0
97.52345275878906	188.0
97.68862915039062	152.0
97.7515869140625	192.0
97.8499984741211	176.0
97.89922332763672	188.0
98.09428405761719	208.0
98.664794921875	152.0
98.73004150390625	160.0
98.95561981201172	148.0
99.02210998535156	148.0
99.09227752685547	152.0
100.54984283447266	148.0
100.56381225585938	164.0
100.81745147705078	192.0
101.55220031738281	196.0
101.81310272216797	220.0
101.9617691040039	144.0
102.53936767578125	160.0
102.57565307617188	160.0
103.05702209472656	568.0
103.5151138305664	224.0
104.88240051269531	164.0
105.01697540283203	192.0
105.04622650146484	308.0
105.0679702758789	144.0
105.6440658569336	160.0
105.68907165527344	204.0
105.93679809570312	164.0
105.95114135742188	148.0
106.0449447631836	144.0
106.06324005126953	324.0
106.1520004272461	172.0
106.3202133178711	172.0
106.87091827392578	148.0
107.0667495727539	356.0
108.0634765625	172.0
108.0811767578125	580.0
108.55968475341797	1940.0
109.0456771850586	3700.0
109.16905212402344	216.0
109.28553771972656	164.0
110.00244903564453	180.0
110.06051635742188	4184.0
110.72798919677734	156.0
110.74507904052734	148.0
110.99622344970703	172.0
111.0213851928711	156.0
111.0640640258789	584.0
111.72712707519531	148.0
111.80498504638672	160.0
111.96076965332031	232.0
112.15038299560547	200.0
112.2431411743164	140.0
113.55216217041016	232.0
114.05961608886719	172.0
114.7472152709961	208.0
115.05501556396484	804.0
115.56807708740234	1376.0
115.8885269165039	156.0
116.05491638183594	176.0
116.07023620605469	624.0
116.2981185913086	184.0
116.62889099121094	148.0
116.7944564819336	148.0
117.06400299072266	180.0
117.17547607421875	156.0
118.04964447021484	164.0
118.06564331054688	140.0
118.07992553710938	380.0
118.3655776977539	144.0
118.7686767578125	156.0
119.06096649169922	3704.0
119.2332992553711	184.0
119.57169342041016	244.0
120.064697265625	484.0
120.1500015258789	140.0
120.75725555419922	204.0
121.04053497314453	2840.0
121.07897186279297	196.0
121.2498550415039	140.0
121.56790924072266	1584.0
122.06107330322266	1340.0
122.69178771972656	168.0
122.93441009521484	144.0
123.024658203125	10280.0
123.0610580444336	1220.0
123.0955581665039	224.0
123.2155990600586	148.0
123.35183715820312	204.0
123.56718444824219	732.0
123.96932983398438	140.0
124.0274658203125	1440.0
124.07553100585938	188.0
124.98332977294922	180.0
125.04557037353516	208.0
125.52985382080078	148.0
125.57222747802734	176.0
125.7679443359375	164.0
125.92932891845703	172.0
126.04325866699219	184.0
127.05569458007812	412.0
127.31338500976562	176.0
127.5652847290039	192.0
128.06277465820312	324.0
128.57522583007812	200.0
129.07025146484375	868.0
129.0978546142578	164.0
130.0648651123047	148.0
130.2427215576172	176.0
130.51087951660156	200.0
131.0613250732422	1876.0
131.49497985839844	164.0
131.84124755859375	148.0
132.07020568847656	700.0
132.11648559570312	180.0
132.1668243408203	144.0
132.5010986328125	204.0
132.51942443847656	176.0
132.68673706054688	180.0
133.00807189941406	196.0
133.04486083984375	2292.0
133.07614135742188	408.0
133.09715270996094	168.0
133.4765625	144.0
133.56849670410156	20948.0
133.6306610107422	232.0
133.6868133544922	208.0
133.78485107421875	212.0
133.9380340576172	116.0
134.06968688964844	4076.0
134.0966033935547	176.0
134.44406127929688	156.0
134.57469177246094	1268.0
135.0602264404297	2732.0
135.28076171875	164.0
135.55404663085938	148.0
135.58319091796875	576.0
136.0790252685547	360.0
137.03146362304688	160.0
137.08847045898438	192.0
137.32786560058594	180.0
138.05184936523438	288.0
138.0845947265625	172.0
138.23789978027344	120.0
138.2740936279297	148.0
138.3138885498047	256.0
138.6558380126953	168.0
138.9512939453125	144.0
139.0572052001953	172.0
140.05770874023438	144.0
140.5759735107422	3288.0
140.61021423339844	180.0
141.075439453125	1072.0
141.5818634033203	176.0
141.91598510742188	144.0
142.06301879882812	156.0
142.57826232910156	148.0
142.60202026367188	140.0
143.0587158203125	184.0
143.08729553222656	440.0
144.0696258544922	464.0
144.0985107421875	160.0
144.2203826904297	144.0
144.62171936035156	180.0
144.87362670898438	140.0
145.04608154296875	372.0
145.0760040283203	7644.0
145.78778076171875	180.0
145.82086181640625	188.0
145.8502655029297	176.0
146.05340576171875	6900.0
146.0841064453125	9480.0
146.48793029785156	208.0
147.06027221679688	3080.0
147.088134765625	1732.0
147.33949279785156	236.0
147.885986328125	172.0
148.06492614746094	580.0
148.23956298828125	272.0
148.56787109375	204.0
148.99954223632812	148.0
149.04019165039062	224.0
149.0743408203125	1188.0
149.58326721191406	792.0
150.08181762695312	188.0
150.16741943359375	212.0
150.84866333007812	148.0
150.9122314453125	168.0
151.0545654296875	292.0
151.98992919921875	196.0
152.06163024902344	848.0
152.1543731689453	172.0
152.5621795654297	224.0
153.07022094726562	624.0
154.0785675048828	204.0
154.6193084716797	164.0
155.05950927734375	252.0
155.325439453125	260.0
155.5729522705078	604.0
156.07839965820312	156.0
156.89706420898438	220.0
156.95834350585938	192.0
157.0753173828125	140.0
157.6808319091797	172.0
158.08096313476562	184.0
158.9504852294922	184.0
159.05929565429688	600.0
159.09213256835938	5736.0
160.0338134765625	164.0
160.0673828125	820.0
160.10012817382812	1244.0
160.22972106933594	188.0
161.07469177246094	3280.0
161.10491943359375	492.0
162.04425048828125	204.0
162.07421875	1072.0
162.09976196289062	180.0
163.05606079101562	932.0
163.09051513671875	1312.0
163.12533569335938	196.0
163.5348663330078	208.0
164.0540771484375	148.0
164.09024047851562	332.0
165.07247924804688	312.0
166.07199096679688	188.0
167.07948303222656	132.0
167.220458984375	140.0
167.99346923828125	180.0
168.0115203857422	216.0
168.83290100097656	208.0
169.0717315673828	324.0
169.13560485839844	208.0
169.60960388183594	168.0
169.87928771972656	140.0
170.05313110351562	176.0
171.05828857421875	336.0
171.09010314941406	168.0
171.50706481933594	152.0
171.65306091308594	164.0
172.07354736328125	228.0
172.1880340576172	188.0
172.29774475097656	248.0
172.4362335205078	176.0
173.0306396484375	200.0
173.074951171875	2724.0
173.11178588867188	120.0
174.01556396484375	140.0
174.07791137695312	7544.0
174.33099365234375	168.0
174.5797882080078	672.0
174.6017608642578	228.0
174.8674774169922	164.0
174.9701385498047	180.0
175.08462524414062	1276.0
175.58567810058594	180.0
176.08779907226562	352.0
176.53518676757812	136.0
176.9740447998047	156.0
177.07130432128906	740.0
177.4111785888672	156.0
177.6790313720703	140.0
178.07803344726562	192.0
178.12652587890625	144.0
178.3269500732422	168.0
178.54495239257812	144.0
178.59814453125	200.0
178.75244140625	140.0
179.1011962890625	188.0
179.38365173339844	212.0
179.81842041015625	212.0
180.3285369873047	188.0
181.08351135253906	204.0
181.9357147216797	180.0
182.0977020263672	268.0
182.5951690673828	608.0
183.09190368652344	324.0
183.884521484375	236.0
184.08428955078125	148.0
184.1085968017578	140.0
184.56527709960938	176.0
184.7437744140625	168.0
185.0777587890625	356.0
185.17684936523438	196.0
185.35565185546875	160.0
185.9766845703125	184.0
186.04725646972656	196.0
186.07275390625	512.0
186.1112823486328	204.0
186.278076171875	156.0
186.96868896484375	196.0
187.03732299804688	148.0
187.0875244140625	39132.0
187.36622619628906	160.0
187.44049072265625	104.0
187.4931182861328	148.0
187.58644104003906	1048.0
187.75714111328125	184.0
187.9021759033203	136.0
188.00856018066406	140.0
188.04466247558594	100.0
188.08970642089844	7736.0
188.25389099121094	216.0
188.30813598632812	280.0
188.46585083007812	180.0
188.5239715576172	104.0
188.53196716308594	268.0
188.5555877685547	228.0
188.59585571289062	72076.0
188.6824493408203	116.0
188.73971557617188	184.0
188.78575134277344	184.0
188.8378448486328	184.0
188.93800354003906	180.0
188.96131896972656	156.0
188.99009704589844	224.0
189.04388427734375	816.0
189.09664916992188	24912.0
189.14651489257812	232.0
189.17164611816406	132.0
189.19032287597656	144.0
189.2765350341797	208.0
189.32154846191406	116.0
189.36392211914062	96.0
189.416259765625	152.0
189.5979461669922	2196.0
189.65533447265625	124.0
190.09873962402344	1240.0
190.19578552246094	164.0
190.605712890625	236.0
190.77980041503906	152.0
190.83566284179688	140.0
190.907470703125	116.0
191.0580596923828	124.0
191.08804321289062	5676.0
191.1407012939453	280.0
191.2987823486328	144.0
191.37229919433594	156.0
191.5879669189453	180.0
191.6383514404297	160.0
192.0902099609375	604.0
192.1243896484375	148.0
192.28195190429688	172.0
192.7604217529297	96.0
193.09503173828125	244.0
193.3661651611328	172.0
195.16195678710938	132.0
195.58848571777344	240.0
196.08706665039062	168.0
196.59271240234375	9440.0
196.6336212158203	388.0
196.76333618164062	184.0
196.83651733398438	152.0
196.95309448242188	184.0
197.0020751953125	144.0
197.0930633544922	2472.0
197.1295623779297	152.0
197.18943786621094	112.0
197.24644470214844	164.0
197.2726287841797	100.0
197.30067443847656	272.0
197.41842651367188	116.0
197.4493408203125	100.0
197.478515625	168.0
197.5153045654297	160.0
197.54739379882812	276.0
197.60154724121094	117672.0
197.6446990966797	168.0
197.6710968017578	180.0
197.77816772460938	252.0
197.80848693847656	156.0
197.86972045898438	528.0
197.89634704589844	416.0
197.9625244140625	164.0
198.0010986328125	172.0
198.06124877929688	2376.0
198.1022491455078	41900.0
198.26162719726562	172.0
198.43870544433594	216.0
198.491455078125	112.0
198.53298950195312	176.0
198.60401916503906	5144.0
198.64149475097656	108.0
198.7647705078125	144.0
198.7879638671875	152.0
198.8099365234375	260.0
198.85940551757812	112.0
198.95529174804688	176.0
199.02464294433594	100.0
199.04824829101562	232.0
199.10472106933594	672.0
199.1666717529297	152.0
199.387451171875	120.0
199.56185913085938	140.0
199.59449768066406	112.0
199.6455841064453	140.0
199.8255157470703	244.0
199.9160919189453	128.0
200.05233764648438	200.0
200.08560180664062	636.0
200.1113739013672	320.0
200.14918518066406	108.0
200.1782684326172	152.0
200.50588989257812	120.0
200.57894897460938	180.0
200.61683654785156	176.0
200.97193908691406	144.0
201.0209197998047	156.0
201.0910186767578	356.0
202.10328674316406	1972.0
202.44302368164062	116.0
203.10992431640625	2680.0
203.48910522460938	224.0
204.11343383789062	8668.0
204.1615447998047	176.0
204.51531982421875	140.0
204.70452880859375	148.0
205.09249877929688	228.0
205.12158203125	900.0
205.31590270996094	164.0
205.74253845214844	200.0
206.10057067871094	308.0
206.89979553222656	112.0
207.1107635498047	188.0
208.1109161376953	268.0
208.11863708496094	404.0
208.8300323486328	140.0
209.1172637939453	168.0
209.6115264892578	180.0
211.6581573486328	156.0
213.1046142578125	300.0
214.09800720214844	472.0
215.09559631347656	164.0
216.11329650878906	4248.0
217.11343383789062	852.0
218.12965393066406	996.0
218.56446838378906	160.0
218.61660766601562	200.0
219.13076782226562	532.0
220.11195373535156	140.0
227.12974548339844	164.0
228.108642578125	172.0
230.12876892089844	596.0
231.1309051513672	140.0
232.10858154296875	244.0
239.11386108398438	168.0
240.12747192382812	140.0
241.1370391845703	276.0
251.5543975830078	144.0
254.12884521484375	192.0
256.1492004394531	596.0
256.8759765625	160.0
257.2748718261719	184.0
268.1422424316406	892.0
269.1491394042969	124.0
270.16094970703125	296.0
272.1763610839844	828.0
273.1979675292969	148.0
274.1890563964844	224.0
275.8294372558594	152.0
284.1348876953125	148.0
286.15594482421875	172.0
307.98895263671875	152.0
364.1865539550781	144.0
428.83697509765625	152.0
622.6591796875	152.0
743.8818969726562	152.0
774.06494140625	156.0
971.771484375	224.0
1000.2943725585938	160.0
1044.65625	156.0
1070.0574951171875	180.0
1234.1812744140625	140.0
1243.203369140625	212.0
1288.2498779296875	172.0
1339.380859375	168.0
1389.7774658203125	208.0
1391.707275390625	188.0
1403.6571044921875	200.0
1426.9130859375	188.0
1430.1552734375	192.0
1460.527099609375	164.0
1461.07470703125	160.0
1464.804931640625	244.0
1475.156494140625	204.0
1479.6197509765625	176.0
1487.6539306640625	144.0
1489.274169921875	240.0
1504.4898681640625	172.0
1506.33544921875	156.0
1507.6025390625	188.0
1516.192626953125	260.0
1518.5572509765625	180.0
1535.1923828125	200.0
1551.3692626953125	144.0
1553.965087890625	164.0
1554.4830322265625	156.0
1578.698486328125	148.0
1610.9998779296875	152.0
1617.060791015625	192.0
1620.27978515625	260.0
1621.810302734375	184.0
1634.0726318359375	144.0
1640.104248046875	144.0
1649.119873046875	148.0
1676.2337646484375	164.0
1677.2034912109375	168.0
1678.4345703125	152.0
1695.2655029296875	140.0
1700.4320068359375	140.0
1704.1190185546875	184.0
1711.2991943359375	144.0
1717.265380859375	204.0
1718.1810302734375	184.0
1728.4757080078125	156.0
1734.2894287109375	176.0
1757.6832275390625	224.0
1767.9532470703125	160.0
1769.150146484375	180.0
1772.081298828125	176.0
1773.7490234375	196.0
1776.41552734375	152.0
1784.0068359375	156.0
1791.8587646484375	160.0
1793.645263671875	240.0
1798.267333984375	196.0
1803.7659912109375	164.0
1805.6007080078125	184.0
1813.55078125	160.0
1816.3828125	272.0
1816.7220458984375	152.0
1818.6143798828125	172.0
1828.754150390625	184.0
1836.8060302734375	152.0
1841.97119140625	208.0
1844.892822265625	176.0
1847.141845703125	168.0
1847.5438232421875	160.0
1848.4593505859375	200.0
1857.386474609375	140.0
1867.177734375	204.0
1884.26220703125	160.0
1885.0830078125	156.0
1886.6993408203125	228.0
1887.364990234375	152.0
1889.6397705078125	140.0
1891.664794921875	188.0
1892.045654296875	160.0
1892.2015380859375	220.0
1903.455810546875	176.0
1916.712158203125	144.0
1917.65478515625	260.0
1918.394287109375	172.0
1923.4449462890625	152.0
1923.986083984375	176.0
1924.579833984375	204.0
1925.68017578125	248.0
1932.2098388671875	208.0
1938.6893310546875	228.0
1942.4505615234375	140.0
1945.1971435546875	172.0
1947.0584716796875	152.0
1962.2373046875	184.0
1964.1597900390625	240.0
1966.118408203125	160.0
1969.8531494140625	172.0
1970.992919921875	168.0
1975.14794921875	224.0
1978.5372314453125	156.0
1980.2462158203125	152.0
1981.4952392578125	236.0
1988.1453857421875	152.0
1988.3583984375	168.0
1993.900146484375	144.0
1994.1845703125	160.0
1996.45166015625	140.0
2000.793701171875	180.0
2002.823974609375	188.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079110
PEPMASS=263.085205
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Oc1[nH]c2ccccc2c1C3=Nc4ccccc4C3=O
INCHI=InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,18,20H
INCHIAUX=JNLNPCNGMHKCKO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079110
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079110
SCANS=1685
50.03956604003906	164.0
50.081809997558594	148.0
52.02144241333008	160.0
53.27493667602539	220.0
59.8570671081543	148.0
62.98426055908203	160.0
63.9355583190918	172.0
66.2331771850586	204.0
69.3763427734375	144.0
69.94279479980469	220.0
71.85153198242188	176.0
77.55652618408203	160.0
77.72488403320312	144.0
80.23292541503906	140.0
82.18609619140625	144.0
83.61951446533203	200.0
85.75508880615234	140.0
85.99117279052734	200.0
87.74785614013672	168.0
92.15899658203125	228.0
107.16962432861328	176.0
114.04915618896484	184.0
116.05948638916016	228.0
117.0550308227539	176.0
117.27046203613281	224.0
117.6738510131836	144.0
117.84231567382812	156.0
118.8990249633789	160.0
120.04766082763672	192.0
121.19525146484375	208.0
123.10015106201172	212.0
123.27245330810547	144.0
124.870849609375	148.0
125.01436614990234	340.0
126.0210952758789	160.0
129.3970489501953	148.0
130.0885009765625	176.0
130.38604736328125	148.0
131.89944458007812	168.0
132.0444793701172	472.0
133.14813232421875	156.0
134.66127014160156	144.0
137.9608612060547	164.0
141.33238220214844	192.0
142.12728881835938	140.0
144.047119140625	164.0
144.36402893066406	164.0
145.08712768554688	216.0
146.04043579101562	216.0
146.71707153320312	156.0
147.54513549804688	224.0
149.43685913085938	176.0
152.06378173828125	276.0
152.1128692626953	168.0
153.06924438476562	148.0
154.04324340820312	440.0
156.04444885253906	244.0
156.24728393554688	140.0
156.6107177734375	144.0
157.0394287109375	140.0
157.5086669921875	148.0
160.84832763671875	168.0
161.64190673828125	156.0
162.06222534179688	220.0
162.9400634765625	140.0
165.07052612304688	304.0
165.1919708251953	212.0
166.0710906982422	152.0
167.08316040039062	148.0
169.42587280273438	208.0
170.0196533203125	184.0
173.75885009765625	148.0
176.66465759277344	148.0
178.5452117919922	160.0
178.62234497070312	228.0
180.08181762695312	360.0
181.06454467773438	180.0
182.05410766601562	168.0
184.09266662597656	144.0
184.12506103515625	164.0
184.24391174316406	156.0
185.6605987548828	152.0
187.3338165283203	148.0
189.08128356933594	148.0
189.27291870117188	204.0
190.00196838378906	152.0
190.0646514892578	2148.0
190.8616180419922	220.0
191.068359375	432.0
192.08082580566406	240.0
193.09019470214844	448.0
194.06813049316406	132.0
194.09414672851562	124.0
194.61109924316406	188.0
197.16827392578125	144.0
198.5905303955078	208.0
201.49557495117188	152.0
205.08126831054688	212.0
206.08468627929688	1576.0
206.5386199951172	172.0
207.04519653320312	172.0
207.08863830566406	664.0
208.07550048828125	584.0
209.0802001953125	160.0
209.81512451171875	148.0
211.06817626953125	208.0
214.33074951171875	188.0
215.05870056152344	292.0
215.61473083496094	208.0
216.0711212158203	348.0
217.07627868652344	3348.0
217.14004516601562	200.0
217.9326171875	172.0
218.08377075195312	720.0
218.20889282226562	192.0
218.42062377929688	152.0
219.09205627441406	9676.0
219.938720703125	208.0
220.07594299316406	1552.0
220.0946044921875	1836.0
221.08071899414062	388.0
222.04969787597656	168.0
222.08212280273438	168.0
227.00411987304688	200.0
229.34910583496094	176.0
231.44871520996094	224.0
232.63717651367188	152.0
233.06539916992188	156.0
234.08050537109375	1224.0
235.08660888671875	6380.0
236.08517456054688	768.0
236.2861785888672	108.0
237.07809448242188	168.0
238.4499053955078	172.0
239.36355590820312	208.0
242.97052001953125	152.0
243.72186279296875	160.0
243.98915100097656	152.0
244.01402282714844	148.0
245.072021484375	1700.0
246.07424926757812	360.0
247.0703582763672	164.0
247.1204071044922	156.0
249.07443237304688	168.0
250.0481414794922	156.0
250.07015991210938	184.0
253.0500946044922	204.0
255.15988159179688	156.0
255.5478973388672	144.0
259.6975402832031	152.0
261.0303039550781	168.0
261.1399841308594	160.0
262.0184326171875	240.0
262.075927734375	824.0
262.1304931640625	164.0
262.5723571777344	108.0
262.68572998046875	228.0
262.9905090332031	180.0
263.0225830078125	228.0
263.08294677734375	58168.0
263.2940368652344	100.0
263.3725891113281	124.0
263.4330749511719	116.0
263.71173095703125	188.0
263.9045715332031	244.0
263.9388122558594	236.0
264.08599853515625	8220.0
264.41522216796875	224.0
264.9648132324219	180.0
265.0869445800781	1120.0
265.7273864746094	132.0
265.7969970703125	120.0
265.84930419921875	148.0
266.0975036621094	172.0
266.1305847167969	108.0
337.0555419921875	256.0
1062.4617919921875	140.0
1551.9202880859375	144.0
1559.4879150390625	184.0
1943.39208984375	196.0
1994.84521484375	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079111
PEPMASS=296.147186
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=SUMATRIPTAN SUCCINATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
INCHI=InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
INCHIAUX=KQKPFRSPSRPDEB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079111
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079111
SCANS=994
45.23047637939453	152.0
49.30451583862305	184.0
50.375186920166016	220.0
50.81405258178711	168.0
58.24201202392578	192.0
58.265960693359375	220.0
59.53104019165039	144.0
67.49932861328125	144.0
68.54496002197266	144.0
70.08931732177734	192.0
70.15931701660156	188.0
76.32048797607422	148.0
77.29029846191406	168.0
79.1331558227539	180.0
80.47909545898438	168.0
82.31240844726562	160.0
82.40633392333984	156.0
82.83871459960938	228.0
85.72003936767578	140.0
93.19937133789062	152.0
100.24880981445312	148.0
101.0675048828125	224.0
101.32177734375	148.0
101.6646499633789	216.0
107.89399719238281	192.0
108.80970001220703	176.0
108.87615203857422	188.0
108.89483642578125	172.0
109.15460968017578	140.0
112.24114990234375	168.0
113.32122039794922	140.0
114.97770690917969	192.0
123.99605560302734	144.0
124.11798095703125	212.0
124.4419174194336	144.0
125.52106475830078	168.0
125.81111145019531	152.0
127.65296936035156	144.0
128.3847198486328	168.0
129.07009887695312	144.0
130.06703186035156	612.0
131.06985473632812	116.0
131.47000122070312	180.0
132.0708770751953	188.0
135.91128540039062	156.0
140.2683563232422	156.0
140.46878051757812	220.0
142.06663513183594	192.0
143.07077026367188	332.0
144.39984130859375	200.0
154.06825256347656	160.0
154.95127868652344	144.0
155.83203125	152.0
156.08140563964844	2940.0
157.08897399902344	9708.0
157.15057373046875	116.0
158.09530639648438	2608.0
159.09812927246094	208.0
159.88043212890625	160.0
162.01907348632812	140.0
167.74349975585938	140.0
170.105224609375	156.0
172.11041259765625	116.0
172.39981079101562	156.0
174.09075927734375	204.0
178.2394256591797	140.0
179.41848754882812	168.0
180.04820251464844	184.0
181.26536560058594	180.0
183.14056396484375	204.0
191.6239471435547	180.0
192.8629913330078	212.0
196.13272094726562	212.0
201.1396484375	3040.0
201.22152709960938	208.0
202.1421356201172	480.0
215.43551635742188	128.0
225.06483459472656	128.0
226.75819396972656	184.0
235.09634399414062	148.0
239.45584106445312	140.0
246.8700714111328	152.0
250.98046875	176.0
251.0851287841797	7272.0
251.39808654785156	184.0
252.08758544921875	1596.0
253.08245849609375	468.0
254.08950805664062	160.0
256.0730285644531	160.0
258.76171875	176.0
263.0308837890625	196.0
266.90234375	324.0
271.9496154785156	160.0
285.9463195800781	184.0
292.0091857910156	152.0
293.16693115234375	216.0
293.7156066894531	152.0
294.165771484375	756.0
294.477294921875	172.0
294.7602844238281	212.0
294.94482421875	152.0
295.01318359375	156.0
295.13970947265625	180.0
295.17974853515625	200.0
295.4919738769531	156.0
295.540283203125	132.0
295.81793212890625	128.0
296.0228576660156	192.0
296.0822448730469	224.0
296.1434631347656	36464.0
296.2290954589844	268.0
296.74395751953125	188.0
297.0722351074219	100.0
297.1457214355469	5116.0
298.141845703125	2152.0
298.8547668457031	96.0
299.048583984375	124.0
299.0893859863281	108.0
299.14471435546875	232.0
299.2363586425781	144.0
314.9721984863281	260.0
548.479736328125	144.0
1394.7322998046875	188.0
1499.9169921875	196.0
1612.5596923828125	152.0
1716.780517578125	272.0
1726.35986328125	176.0
1768.9007568359375	144.0
1865.4256591796875	180.0
1877.8504638671875	188.0
1933.41064453125	232.0
1943.5228271484375	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079112
PEPMASS=453.260406
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=DIPHENOXYLATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)c4ccccc4
INCHI=InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3
INCHIAUX=HYPPXZBJBPSRLK-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079112
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079112
SCANS=1476
46.07777786254883	160.0
47.72718811035156	140.0
47.7737922668457	184.0
47.92385482788086	176.0
51.37324905395508	148.0
53.248863220214844	204.0
54.398006439208984	184.0
55.255706787109375	196.0
55.4096794128418	144.0
55.70341110229492	144.0
55.85056686401367	196.0
56.35145950317383	156.0
57.99934005737305	240.0
60.1824951171875	152.0
60.473121643066406	176.0
61.10625076293945	176.0
61.766136169433594	164.0
62.23786163330078	184.0
62.46574401855469	160.0
63.71144485473633	156.0
64.15066528320312	204.0
64.37084197998047	188.0
64.6697998046875	152.0
67.10920715332031	144.0
67.81705474853516	204.0
68.30636596679688	156.0
68.69841766357422	176.0
68.80073547363281	184.0
70.57349395751953	152.0
71.86849975585938	156.0
71.97990417480469	144.0
72.19789123535156	152.0
73.56568145751953	144.0
73.63397979736328	164.0
74.67086791992188	180.0
75.49522399902344	176.0
76.5764389038086	176.0
78.48485565185547	140.0
78.70541381835938	144.0
80.37214660644531	168.0
80.69900512695312	156.0
81.37267303466797	156.0
82.45526885986328	240.0
82.7283935546875	144.0
82.93126678466797	244.0
83.02191925048828	192.0
84.55406188964844	140.0
85.43296813964844	148.0
86.05958557128906	192.0
86.31826782226562	164.0
88.77450561523438	188.0
89.80889129638672	160.0
90.80754089355469	168.0
91.05046844482422	168.0
93.059326171875	160.0
93.3263931274414	144.0
94.18976593017578	164.0
94.22260284423828	184.0
96.0785903930664	176.0
96.3401870727539	176.0
96.58648681640625	168.0
97.1427993774414	208.0
97.95858764648438	216.0
98.0571060180664	184.0
98.27993774414062	168.0
99.86873626708984	168.0
101.0436782836914	148.0
102.41474151611328	204.0
103.05499267578125	292.0
103.50325775146484	176.0
104.06039428710938	164.0
104.40628051757812	144.0
104.8684310913086	204.0
105.37041473388672	228.0
106.06619262695312	288.0
107.05030059814453	176.0
109.82539367675781	180.0
109.90884399414062	152.0
110.09689331054688	400.0
110.36837005615234	176.0
111.23990631103516	140.0
111.578125	160.0
113.26846313476562	156.0
113.63945007324219	160.0
114.05638885498047	292.0
114.1811294555664	184.0
114.26834106445312	236.0
115.05470275878906	192.0
115.71322631835938	168.0
115.99600219726562	176.0
116.07532501220703	256.0
117.07074737548828	896.0
118.07383728027344	168.0
119.07328796386719	164.0
119.27381896972656	192.0
120.08380889892578	376.0
120.85669708251953	212.0
121.0267562866211	172.0
122.02285766601562	188.0
122.09761810302734	192.0
122.99213409423828	248.0
124.087158203125	176.0
124.26902770996094	156.0
124.50875854492188	156.0
125.15140533447266	188.0
125.65957641601562	200.0
126.05570220947266	1540.0
126.60508728027344	140.0
127.06301879882812	340.0
127.07864379882812	152.0
127.6575698852539	152.0
128.0377197265625	112.0
128.06585693359375	572.0
129.0734100341797	392.0
129.7030487060547	204.0
130.06361389160156	612.0
130.0867462158203	156.0
130.10682678222656	148.0
131.05369567871094	172.0
131.08538818359375	760.0
131.3173828125	156.0
131.45883178710938	168.0
131.6894073486328	160.0
132.08116149902344	480.0
132.11000061035156	184.0
132.31138610839844	192.0
132.54957580566406	160.0
133.06106567382812	176.0
133.09091186523438	248.0
133.16668701171875	192.0
133.79214477539062	196.0
134.0922088623047	148.0
134.21145629882812	172.0
135.18161010742188	188.0
136.26675415039062	156.0
136.5131378173828	144.0
138.6937255859375	156.0
139.05726623535156	160.0
139.65640258789062	172.0
141.0802001953125	492.0
141.40234375	160.0
141.83546447753906	160.0
142.06573486328125	164.0
142.08657836914062	1092.0
142.19154357910156	272.0
142.2675018310547	176.0
142.5430145263672	140.0
143.0863494873047	2096.0
143.44740295410156	196.0
143.54515075683594	176.0
144.05722045898438	892.0
144.085693359375	704.0
144.938720703125	168.0
145.0657501220703	288.0
145.09730529785156	392.0
145.19761657714844	216.0
145.4663543701172	192.0
146.076171875	216.0
146.09703063964844	816.0
146.31976318359375	224.0
149.9557342529297	204.0
150.73422241210938	156.0
152.06146240234375	324.0
154.08810424804688	164.0
155.09584045410156	1116.0
155.7354278564453	148.0
156.6757049560547	160.0
157.07334899902344	208.0
157.1069793701172	200.0
157.87628173828125	196.0
157.98382568359375	160.0
158.0588836669922	148.0
158.09759521484375	2664.0
159.00865173339844	156.0
159.06842041015625	492.0
159.10345458984375	2256.0
159.16000366210938	204.0
160.07398986816406	164.0
160.11187744140625	3536.0
160.76272583007812	144.0
161.08059692382812	316.0
161.1191864013672	1672.0
161.60922241210938	196.0
161.89779663085938	144.0
161.9509735107422	140.0
162.06773376464844	816.0
162.1230010986328	272.0
163.3979034423828	144.0
163.4742431640625	152.0
164.83082580566406	148.0
165.07090759277344	7448.0
166.0742950439453	556.0
167.025390625	148.0
167.08267211914062	188.0
167.3135986328125	180.0
168.07907104492188	176.0
169.06878662109375	176.0
169.08828735351562	168.0
169.20338439941406	140.0
170.09849548339844	164.0
170.20936584472656	236.0
170.36260986328125	140.0
170.8045196533203	196.0
171.10574340820312	180.0
172.052734375	148.0
172.07623291015625	160.0
172.11273193359375	5508.0
172.67724609375	152.0
173.0043182373047	144.0
173.1158905029297	392.0
174.1285858154297	644.0
175.12997436523438	344.0
175.3852996826172	140.0
175.63206481933594	160.0
176.07318115234375	256.0
176.10716247558594	180.0
177.0667266845703	172.0
177.0937042236328	220.0
178.05645751953125	184.0
178.0809783935547	172.0
178.4231414794922	176.0
178.89401245117188	160.0
179.08563232421875	108.0
180.3771514892578	212.0
180.91751098632812	144.0
181.0326385498047	204.0
181.09423828125	164.0
182.09732055664062	212.0
182.8043670654297	144.0
184.11181640625	160.0
185.081298828125	192.0
185.55673217773438	140.0
186.09445190429688	1024.0
186.12847900390625	1556.0
186.3492431640625	148.0
186.5693817138672	144.0
186.95648193359375	176.0
186.9991455078125	164.0
187.1006622314453	15904.0
187.1367950439453	5540.0
187.73199462890625	144.0
187.95840454101562	168.0
188.1026153564453	2092.0
188.1404266357422	1020.0
188.53305053710938	100.0
189.1098175048828	156.0
189.14260864257812	128.0
190.05519104003906	156.0
190.10081481933594	1452.0
190.124755859375	560.0
190.39614868164062	108.0
190.65846252441406	224.0
191.07301330566406	280.0
191.10116577148438	304.0
191.94125366210938	172.0
192.02674865722656	172.0
192.0818634033203	12480.0
192.4020233154297	152.0
193.08544921875	2044.0
193.5244903564453	196.0
194.03150939941406	156.0
194.0937042236328	112.0
195.11196899414062	236.0
195.44520568847656	140.0
196.119140625	156.0
196.3923797607422	148.0
197.09263610839844	148.0
197.12173461914062	144.0
197.2775421142578	176.0
198.57395935058594	140.0
200.11669921875	160.0
200.6378936767578	168.0
201.021484375	140.0
203.0810546875	156.0
203.5436248779297	204.0
204.10301208496094	6576.0
204.14781188964844	188.0
204.50735473632812	148.0
204.85189819335938	168.0
205.10885620117188	2784.0
205.46420288085938	116.0
205.82855224609375	188.0
206.1132354736328	252.0
207.10275268554688	156.0
207.1285400390625	140.0
209.29872131347656	204.0
211.5400390625	200.0
211.64137268066406	188.0
214.12396240234375	184.0
215.1273193359375	152.0
216.1384735107422	184.0
217.12721252441406	216.0
218.08572387695312	292.0
218.1177520751953	3604.0
218.43267822265625	200.0
218.47975158691406	264.0
218.52976989746094	184.0
219.0626220703125	152.0
219.12342834472656	716.0
219.45164489746094	148.0
219.74798583984375	100.0
220.11508178710938	1532.0
221.11668395996094	1164.0
221.5825653076172	140.0
222.12612915039062	572.0
223.13177490234375	140.0
223.4172821044922	172.0
224.46566772460938	152.0
224.8594512939453	192.0
224.9281005859375	144.0
225.04153442382812	168.0
225.63906860351562	216.0
226.26434326171875	140.0
227.82078552246094	160.0
229.1173858642578	180.0
231.12213134765625	152.0
232.13352966308594	4360.0
233.0626678466797	172.0
233.10824584960938	212.0
233.14280700683594	7896.0
233.31773376464844	152.0
233.4144287109375	116.0
234.14523315429688	832.0
235.1111602783203	196.0
235.13821411132812	276.0
235.1613006591797	308.0
235.45700073242188	148.0
236.13717651367188	144.0
237.14630126953125	412.0
237.78990173339844	168.0
238.1326446533203	164.0
240.59194946289062	128.0
243.62277221679688	152.0
244.00502014160156	172.0
246.14903259277344	4516.0
247.03001403808594	224.0
247.15086364746094	668.0
247.23757934570312	140.0
248.16062927246094	224.0
248.6687469482422	144.0
249.1398162841797	10252.0
249.1931610107422	160.0
249.95091247558594	160.0
250.1422882080078	2420.0
250.67515563964844	212.0
253.1770782470703	140.0
254.43905639648438	152.0
254.48033142089844	144.0
256.0384521484375	192.0
256.570556640625	164.0
256.71405029296875	144.0
258.15106201171875	156.0
260.1641845703125	1300.0
261.0403137207031	204.0
261.16766357421875	160.0
262.15411376953125	140.0
263.1526184082031	236.0
263.4091491699219	144.0
264.1558532714844	188.0
264.3111572265625	168.0
264.4891357421875	228.0
265.1283874511719	292.0
265.20172119140625	248.0
265.5356750488281	188.0
265.8925476074219	172.0
266.1392517089844	300.0
267.4493408203125	188.0
270.125	208.0
272.2294616699219	132.0
274.5986328125	176.0
275.158203125	1400.0
276.1546325683594	424.0
276.6803894042969	248.0
276.85919189453125	140.0
276.9027404785156	104.0
277.04864501953125	180.0
277.6213684082031	228.0
278.1766662597656	196.0
278.7932434082031	156.0
278.9427795410156	168.0
280.87744140625	184.0
281.43475341796875	208.0
281.5449523925781	164.0
282.9124755859375	144.0
284.50347900390625	108.0
288.1589050292969	164.0
288.6321105957031	200.0
289.1376953125	224.0
291.3604736328125	176.0
291.91448974609375	176.0
292.0715026855469	164.0
292.2512512207031	296.0
294.35430908203125	188.0
294.55096435546875	108.0
295.7970886230469	168.0
296.19427490234375	248.0
297.41839599609375	172.0
299.36083984375	156.0
301.1714782714844	140.0
302.18780517578125	140.0
302.3158264160156	152.0
302.41619873046875	152.0
302.7682189941406	252.0
303.2994079589844	172.0
303.951416015625	180.0
306.141357421875	152.0
306.5350036621094	160.0
307.5463562011719	144.0
310.6044921875	180.0
310.7553405761719	160.0
311.4293518066406	148.0
312.32562255859375	256.0
313.7130126953125	192.0
316.9787292480469	140.0
317.17364501953125	192.0
318.2698669433594	160.0
318.397705078125	196.0
318.5362243652344	160.0
319.140380859375	140.0
319.5849609375	148.0
320.1707458496094	188.0
322.2054443359375	156.0
322.3412170410156	156.0
322.4377136230469	140.0
324.12677001953125	176.0
325.7735595703125	144.0
326.7729797363281	160.0
327.6982727050781	160.0
328.2100830078125	236.0
328.38677978515625	144.0
328.4120178222656	140.0
329.4949645996094	176.0
330.1708984375	144.0
331.11907958984375	140.0
334.0591125488281	168.0
334.16461181640625	140.0
334.2082824707031	148.0
335.9351501464844	140.0
336.1467590332031	220.0
336.76007080078125	148.0
336.78564453125	176.0
337.24237060546875	168.0
344.54022216796875	144.0
347.6466979980469	140.0
348.1991882324219	308.0
349.90289306640625	172.0
350.95166015625	212.0
351.1859436035156	1200.0
351.66607666015625	232.0
351.7481689453125	272.0
352.1924133300781	432.0
353.2051696777344	148.0
353.3551025390625	144.0
353.4224548339844	192.0
353.93524169921875	152.0
354.137451171875	172.0
355.30322265625	180.0
356.3507080078125	180.0
356.98968505859375	140.0
357.0611572265625	212.0
357.41473388671875	152.0
359.1665344238281	172.0
360.09881591796875	160.0
362.7360534667969	172.0
363.181396484375	300.0
363.61602783203125	144.0
364.0298156738281	148.0
366.0985107421875	144.0
367.0321044921875	184.0
367.7645568847656	160.0
369.0213623046875	144.0
369.59124755859375	168.0
370.0198974609375	164.0
370.2956237792969	152.0
371.2882080078125	180.0
372.97369384765625	140.0
373.1274719238281	164.0
373.3927917480469	152.0
373.5697326660156	164.0
373.8044128417969	144.0
374.0083923339844	208.0
374.6698913574219	128.0
375.2757873535156	184.0
375.37603759765625	164.0
376.2227478027344	144.0
376.2866516113281	144.0
376.92779541015625	140.0
377.2006530761719	520.0
377.561767578125	168.0
377.6908264160156	120.0
377.84027099609375	148.0
378.1072692871094	152.0
378.210693359375	252.0
378.68023681640625	140.0
379.0521545410156	160.0
379.2181701660156	6736.0
379.3507385253906	100.0
379.64910888671875	140.0
380.2207336425781	2328.0
380.55181884765625	144.0
381.23138427734375	204.0
381.55169677734375	204.0
381.6528015136719	140.0
382.0572814941406	180.0
382.2362365722656	152.0
383.0966796875	152.0
383.1242370605469	156.0
383.2355041503906	260.0
384.0243835449219	152.0
386.0708312988281	204.0
387.0960998535156	164.0
388.271728515625	140.0
388.6836242675781	188.0
389.0093688964844	140.0
389.1988220214844	256.0
390.2154235839844	160.0
391.0257568359375	156.0
394.54425048828125	140.0
395.4302673339844	172.0
396.095458984375	160.0
396.47186279296875	160.0
396.9634094238281	148.0
398.6664123535156	208.0
399.0400390625	172.0
401.7223815917969	228.0
401.82794189453125	160.0
403.2646484375	96.0
403.9092102050781	192.0
404.2132873535156	168.0
404.31732177734375	252.0
406.38897705078125	140.0
407.1091613769531	136.0
407.212890625	2244.0
408.1160888671875	180.0
408.2214050292969	808.0
408.43780517578125	160.0
408.797607421875	156.0
408.99639892578125	164.0
409.2195129394531	112.0
410.7198181152344	168.0
411.50048828125	172.0
412.21136474609375	176.0
412.29742431640625	180.0
412.8662414550781	164.0
413.4454650878906	156.0
413.9507751464844	260.0
416.10784912109375	152.0
417.0155029296875	108.0
417.9123840332031	204.0
418.5484313964844	104.0
418.995361328125	144.0
419.7861022949219	168.0
422.6882629394531	204.0
422.7558898925781	224.0
423.20684814453125	164.0
423.5747375488281	140.0
424.7224426269531	160.0
424.7757568359375	168.0
425.1260986328125	164.0
425.2249755859375	12580.0
425.3079833984375	100.0
425.68218994140625	112.0
425.7361755371094	164.0
425.85400390625	168.0
426.2253112792969	4296.0
426.537353515625	152.0
426.6483154296875	156.0
427.2269592285156	676.0
427.2886047363281	116.0
427.5472106933594	156.0
428.1007385253906	144.0
428.2322998046875	272.0
428.7869873046875	188.0
428.83636474609375	132.0
428.88128662109375	96.0
429.2607421875	128.0
429.5267639160156	152.0
429.6573181152344	160.0
433.3797302246094	164.0
433.90283203125	172.0
435.2536926269531	140.0
435.4870910644531	176.0
435.5618591308594	164.0
436.0646057128906	152.0
436.2178955078125	132.0
436.6924133300781	168.0
437.1500244140625	144.0
438.482666015625	152.0
438.78277587890625	152.0
438.8161315917969	180.0
438.94122314453125	152.0
439.9278564453125	184.0
440.5021057128906	160.0
441.1916198730469	144.0
442.1662292480469	260.0
442.5884094238281	112.0
442.91986083984375	184.0
443.4645690917969	156.0
444.3756103515625	168.0
445.0502624511719	160.0
445.7782287597656	184.0
446.4705505371094	160.0
447.04022216796875	144.0
447.14990234375	180.0
447.294921875	168.0
447.6114196777344	108.0
447.8468017578125	176.0
447.9234924316406	96.0
448.2833557128906	148.0
448.4355163574219	104.0
448.78863525390625	136.0
448.8793029785156	144.0
449.18597412109375	232.0
449.4403076171875	316.0
449.4867248535156	148.0
449.59796142578125	140.0
449.88519287109375	116.0
450.06512451171875	136.0
450.1798400878906	144.0
450.2761535644531	148.0
450.36871337890625	96.0
450.477294921875	128.0
450.7771911621094	104.0
450.8465881347656	188.0
450.8995361328125	108.0
451.1038513183594	376.0
451.1968078613281	176.0
451.2369079589844	528.0
451.39849853515625	136.0
451.510986328125	188.0
451.56890869140625	344.0
451.6520690917969	204.0
451.7348937988281	168.0
451.79742431640625	160.0
451.84124755859375	224.0
451.8850402832031	96.0
451.9356994628906	164.0
451.9951171875	184.0
452.14447021484375	176.0
452.18878173828125	272.0
452.2398681640625	484.0
452.2696533203125	256.0
452.3360900878906	136.0
452.38287353515625	308.0
452.4512634277344	232.0
452.58526611328125	180.0
452.62139892578125	200.0
452.67816162109375	96.0
452.7555847167969	212.0
452.81060791015625	264.0
452.8205261230469	316.0
452.8505554199219	228.0
452.8844299316406	328.0
452.9469299316406	264.0
452.9951477050781	160.0
453.05450439453125	288.0
453.0660095214844	308.0
453.09344482421875	592.0
453.1676940917969	716.0
453.1813049316406	720.0
453.2575988769531	247036.0
453.3865661621094	496.0
453.4210510253906	240.0
453.5370788574219	204.0
453.6571960449219	588.0
453.69677734375	368.0
453.7378234863281	320.0
453.8000793457031	180.0
453.89495849609375	248.0
453.956787109375	5828.0
454.01470947265625	372.0
454.0978698730469	368.0
454.2601318359375	158668.0
454.35662841796875	340.0
454.4796447753906	276.0
454.5671081542969	360.0
454.6400451660156	164.0
454.6500549316406	176.0
454.7033386230469	392.0
454.77337646484375	160.0
454.86260986328125	184.0
454.8956298828125	412.0
454.9554443359375	408.0
455.00140380859375	244.0
455.0478820800781	324.0
455.1933288574219	388.0
455.26251220703125	26436.0
455.375732421875	196.0
455.4460754394531	248.0
455.6546936035156	120.0
455.7378845214844	332.0
455.8994140625	196.0
455.9691467285156	108.0
456.009765625	224.0
456.0843811035156	184.0
456.1858825683594	132.0
456.26397705078125	2884.0
456.3547058105469	120.0
456.41156005859375	300.0
456.463623046875	104.0
456.548095703125	160.0
456.6730041503906	352.0
456.7545166015625	260.0
456.89630126953125	188.0
456.9394836425781	324.0
456.9740905761719	400.0
457.0337829589844	548.0
457.0939636230469	344.0
457.14996337890625	344.0
457.20037841796875	212.0
457.24737548828125	96.0
457.374267578125	132.0
457.4272766113281	116.0
457.47015380859375	168.0
457.5450134277344	152.0
457.672607421875	176.0
457.72467041015625	236.0
457.8020935058594	152.0
457.88726806640625	204.0
458.0019836425781	128.0
458.037353515625	140.0
458.09552001953125	168.0
458.23651123046875	152.0
458.3094787597656	104.0
458.38653564453125	180.0
458.4253234863281	144.0
458.5680236816406	152.0
458.615478515625	160.0
458.7338562011719	132.0
458.96826171875	96.0
459.0151062011719	140.0
459.4031982421875	108.0
459.4804992675781	132.0
459.76043701171875	160.0
460.2569580078125	164.0
462.3398132324219	96.0
462.95074462890625	144.0
467.3075256347656	144.0
467.6837158203125	144.0
468.1672058105469	176.0
469.197265625	132.0
470.2517395019531	132.0
470.5184631347656	116.0
470.86688232421875	140.0
470.9595947265625	112.0
471.041259765625	184.0
471.6396789550781	116.0
471.92559814453125	152.0
472.9066467285156	132.0
474.44097900390625	160.0
474.4886779785156	168.0
478.6075134277344	152.0
497.167236328125	140.0
498.93060302734375	140.0
511.6990966796875	140.0
534.0250854492188	184.0
563.063232421875	148.0
622.2041015625	164.0
626.5407104492188	172.0
645.412353515625	140.0
671.2971801757812	196.0
694.7732543945312	160.0
752.5291748046875	148.0
759.1909790039062	120.0
969.529541015625	152.0
1119.526611328125	148.0
1228.0811767578125	144.0
1228.7857666015625	176.0
1318.886474609375	168.0
1320.70849609375	160.0
1363.3236083984375	148.0
1449.560791015625	148.0
1475.637939453125	168.0
1521.075439453125	156.0
1540.2384033203125	144.0
1591.388916015625	172.0
1607.2041015625	168.0
1673.08642578125	168.0
1724.3623046875	236.0
1730.127685546875	232.0
1747.93896484375	216.0
1756.536865234375	168.0
1799.0743408203125	168.0
1805.2252197265625	200.0
1819.476806640625	208.0
1835.531982421875	172.0
1837.7923583984375	152.0
1867.98291015625	144.0
1869.7811279296875	180.0
1872.3380126953125	160.0
1874.4658203125	184.0
1912.537353515625	140.0
1918.72216796875	144.0
1921.792236328125	188.0
1937.7308349609375	192.0
1939.790283203125	152.0
1946.05419921875	152.0
1953.6033935546875	148.0
1965.0826416015625	160.0
1971.5020751953125	212.0
1978.1885986328125	160.0
1995.8614501953125	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079113
PEPMASS=469.237671
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=LOMERIZINE DiHCl [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccc(CN2CCN(CC2)C(c3ccc(F)cc3)c4ccc(F)cc4)c(OC)c1OC
INCHI=InChI=1S/C27H30F2N2O3/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20/h4-13,25H,14-18H2,1-3H3
INCHIAUX=JQSAYKKFZOSZGJ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079113
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079113
SCANS=1443
44.927093505859375	172.0
45.008506774902344	160.0
45.1234130859375	172.0
45.17557144165039	184.0
45.19831466674805	196.0
45.21169662475586	144.0
45.395225524902344	216.0
45.40461349487305	160.0
45.864437103271484	164.0
45.93397521972656	176.0
45.988162994384766	228.0
46.0087776184082	140.0
46.08042907714844	148.0
46.112789154052734	164.0
46.139671325683594	144.0
46.188507080078125	152.0
46.26564025878906	176.0
46.279178619384766	192.0
46.32115936279297	176.0
46.568023681640625	200.0
46.68354415893555	212.0
46.72528839111328	168.0
46.76517105102539	188.0
46.818267822265625	184.0
47.212669372558594	188.0
47.365962982177734	152.0
47.75715637207031	160.0
47.77228546142578	232.0
47.80668258666992	168.0
47.98850631713867	188.0
48.03401565551758	160.0
48.10042953491211	184.0
48.19139862060547	148.0
48.20320510864258	176.0
48.37428283691406	192.0
48.51802444458008	160.0
48.63454818725586	140.0
48.67758560180664	144.0
48.86244583129883	204.0
49.09785079956055	216.0
49.16807174682617	156.0
49.28630447387695	168.0
49.3112907409668	168.0
49.421932220458984	180.0
49.45552062988281	156.0
49.5596809387207	176.0
49.801841735839844	200.0
49.85663604736328	164.0
50.12118911743164	140.0
50.31865310668945	156.0
50.41328811645508	248.0
50.5306510925293	168.0
50.56755828857422	148.0
50.69490051269531	180.0
50.73175048828125	176.0
50.96592712402344	200.0
51.306087493896484	176.0
51.42305374145508	140.0
51.85211944580078	160.0
52.01847457885742	208.0
52.14777374267578	184.0
52.199527740478516	144.0
52.2772102355957	156.0
52.36420822143555	176.0
52.43706512451172	160.0
52.47651672363281	152.0
52.497615814208984	204.0
52.71125793457031	260.0
52.757511138916016	156.0
52.88335418701172	164.0
53.20951461791992	180.0
53.29391860961914	176.0
53.45224380493164	152.0
53.71886444091797	196.0
53.78759002685547	208.0
53.91836166381836	184.0
53.94813537597656	160.0
54.38611602783203	160.0
54.55833435058594	200.0
54.694786071777344	164.0
54.95120620727539	212.0
55.07373046875	144.0
55.119529724121094	184.0
55.13673782348633	124.0
55.19343566894531	200.0
55.238948822021484	124.0
55.28662872314453	160.0
55.42730712890625	192.0
55.71662902832031	148.0
55.798370361328125	124.0
55.81769943237305	216.0
55.889095306396484	144.0
56.08567428588867	140.0
56.17961883544922	160.0
56.266178131103516	204.0
56.603023529052734	152.0
56.63853073120117	204.0
56.75242614746094	152.0
56.85843276977539	144.0
57.09931182861328	172.0
57.42915344238281	144.0
57.46535873413086	188.0
57.7886848449707	152.0
57.893131256103516	240.0
58.008277893066406	176.0
58.04618453979492	180.0
58.06065368652344	184.0
58.146305084228516	176.0
58.214622497558594	192.0
58.23274230957031	108.0
58.31784439086914	140.0
58.33161163330078	144.0
58.52330017089844	176.0
58.75801086425781	232.0
58.87539291381836	160.0
58.937068939208984	188.0
59.016544342041016	220.0
59.163002014160156	180.0
59.178314208984375	148.0
59.21385192871094	168.0
59.323856353759766	140.0
59.37189865112305	108.0
59.42764663696289	248.0
59.441951751708984	160.0
59.538665771484375	140.0
59.82773208618164	140.0
60.040367126464844	160.0
60.09281539916992	172.0
60.157630920410156	156.0
60.3012809753418	140.0
60.367332458496094	160.0
60.400238037109375	176.0
60.65883255004883	140.0
60.727054595947266	152.0
60.87138366699219	144.0
60.97080612182617	184.0
61.0056266784668	184.0
61.03298568725586	184.0
61.04853439331055	144.0
61.20881271362305	164.0
61.236846923828125	188.0
61.26332473754883	204.0
61.39425277709961	140.0
61.598716735839844	144.0
62.13881301879883	140.0
62.154502868652344	144.0
62.427825927734375	224.0
62.82789611816406	192.0
63.15804672241211	184.0
63.44670867919922	220.0
63.49064636230469	176.0
63.57660675048828	216.0
63.65250778198242	164.0
63.754173278808594	200.0
64.05169677734375	180.0
64.067626953125	168.0
64.30043029785156	156.0
64.36268615722656	156.0
64.46172332763672	144.0
64.56723022460938	148.0
64.7016372680664	164.0
64.95804595947266	152.0
65.06877136230469	224.0
65.33394622802734	192.0
65.37738800048828	172.0
65.6028823852539	160.0
65.67166900634766	164.0
65.83683776855469	364.0
65.97728729248047	104.0
66.00489807128906	184.0
66.04532623291016	168.0
66.09709930419922	232.0
66.37895202636719	168.0
66.61266326904297	144.0
66.81912231445312	156.0
66.98516845703125	204.0
67.0242691040039	180.0
67.13837432861328	140.0
67.26400756835938	180.0
67.29339599609375	140.0
67.7759017944336	144.0
68.71308135986328	160.0
68.79889678955078	180.0
68.88311767578125	184.0
69.12284088134766	152.0
69.17780303955078	136.0
69.7025375366211	148.0
70.00096893310547	176.0
70.0625991821289	208.0
70.2960205078125	216.0
70.55156707763672	140.0
70.60674285888672	164.0
70.7288818359375	156.0
70.96676635742188	148.0
70.98857116699219	172.0
71.43196105957031	184.0
71.47234344482422	216.0
71.53797912597656	216.0
71.71990203857422	144.0
71.90373992919922	156.0
72.04388427734375	144.0
72.14359283447266	148.0
72.37030029296875	208.0
72.56683349609375	208.0
72.78062438964844	172.0
72.8808364868164	176.0
73.04914093017578	188.0
73.15572357177734	248.0
73.181884765625	144.0
73.48526763916016	384.0
73.53816986083984	168.0
73.62694549560547	168.0
73.73757934570312	148.0
74.04595184326172	164.0
74.5322265625	156.0
74.54689025878906	212.0
74.5995101928711	212.0
74.71366882324219	172.0
74.9163589477539	168.0
75.0098648071289	216.0
75.14437866210938	164.0
75.19435119628906	104.0
75.31527709960938	168.0
75.33600616455078	212.0
75.4950180053711	180.0
75.68962097167969	160.0
75.83612823486328	156.0
75.9052734375	184.0
76.14838409423828	228.0
76.24393463134766	180.0
76.2926025390625	152.0
76.35346221923828	188.0
76.53965759277344	144.0
76.56230163574219	272.0
77.03497314453125	156.0
77.09437561035156	204.0
77.12583923339844	164.0
77.20975494384766	212.0
77.40750122070312	140.0
77.44428253173828	196.0
77.52662658691406	156.0
77.82306671142578	184.0
78.28024291992188	160.0
78.48816680908203	360.0
78.51109313964844	160.0
78.52696990966797	140.0
78.6098861694336	156.0
78.84965515136719	140.0
78.8924789428711	156.0
79.0693588256836	176.0
79.18620300292969	196.0
79.2943344116211	124.0
79.31732177734375	184.0
79.33504486083984	224.0
79.39533233642578	200.0
79.420166015625	180.0
79.56034851074219	176.0
79.68466186523438	144.0
79.72197723388672	208.0
79.83682250976562	140.0
79.91401672363281	148.0
80.01368713378906	144.0
80.1615219116211	148.0
80.41118621826172	144.0
80.53974151611328	184.0
80.98690032958984	160.0
81.38681030273438	156.0
81.49817657470703	148.0
81.54849243164062	152.0
81.5682601928711	188.0
81.63838195800781	140.0
81.65996551513672	140.0
81.76971435546875	148.0
81.87773132324219	152.0
81.93199157714844	164.0
82.67997741699219	224.0
82.70101928710938	168.0
82.73360443115234	152.0
82.78783416748047	160.0
82.9346694946289	264.0
83.31028747558594	168.0
83.36661529541016	196.0
83.7286376953125	188.0
83.7942123413086	148.0
83.90538024902344	184.0
84.02392578125	160.0
84.05494689941406	140.0
84.10523986816406	156.0
84.6563491821289	160.0
84.84507751464844	144.0
84.9532699584961	176.0
85.19375610351562	144.0
85.30033874511719	168.0
85.48241424560547	160.0
85.60575103759766	188.0
85.6241683959961	148.0
85.89879608154297	160.0
85.9928970336914	200.0
86.07781982421875	140.0
86.57711029052734	172.0
86.70679473876953	156.0
86.72532653808594	176.0
87.33619689941406	164.0
87.37621307373047	164.0
87.39572143554688	168.0
87.42736053466797	140.0
87.85590362548828	176.0
87.91748046875	232.0
87.95684814453125	168.0
88.12474822998047	200.0
88.46698760986328	164.0
88.6708755493164	160.0
88.72557830810547	120.0
88.74239349365234	160.0
88.9637680053711	144.0
88.99568176269531	144.0
89.08958435058594	180.0
89.41111755371094	144.0
89.75019073486328	172.0
90.2486572265625	192.0
90.31484985351562	140.0
90.40377044677734	148.0
90.52491760253906	144.0
90.86420440673828	160.0
90.9533920288086	144.0
91.05577850341797	468.0
91.22882843017578	160.0
91.32770538330078	168.0
91.38858032226562	184.0
91.42283630371094	208.0
91.45174407958984	168.0
91.55037689208984	172.0
91.6304702758789	172.0
91.87249755859375	260.0
91.89598846435547	192.0
92.56246185302734	176.0
92.63716125488281	140.0
92.69847106933594	208.0
92.93815612792969	172.0
93.03411865234375	144.0
93.07059478759766	188.0
93.20504760742188	172.0
93.3864974975586	196.0
93.4088363647461	160.0
93.5223617553711	160.0
93.54366302490234	184.0
93.62934875488281	164.0
93.7958755493164	184.0
93.91928100585938	192.0
94.20110321044922	192.0
94.34989929199219	184.0
95.12672424316406	160.0
95.398681640625	168.0
95.5386962890625	184.0
95.57372283935547	148.0
95.77033996582031	176.0
96.56666564941406	148.0
96.66252899169922	144.0
96.91120147705078	148.0
96.96410369873047	192.0
96.98566436767578	176.0
97.0385971069336	228.0
97.08565521240234	140.0
97.33486938476562	140.0
97.39771270751953	96.0
97.59739685058594	204.0
97.68470001220703	172.0
97.72601318359375	220.0
97.798828125	172.0
97.9268569946289	152.0
98.03121948242188	216.0
98.05751037597656	124.0
98.31716918945312	160.0
98.35071563720703	192.0
98.4296875	144.0
98.581787109375	152.0
98.76960754394531	160.0
99.45716857910156	232.0
99.53062438964844	208.0
99.55842590332031	208.0
99.82073211669922	172.0
99.8664779663086	180.0
100.22879028320312	156.0
100.36615753173828	192.0
100.44011688232422	168.0
100.54386138916016	140.0
100.9154052734375	232.0
101.00858306884766	164.0
101.13345336914062	152.0
101.18950653076172	168.0
101.33771514892578	184.0
101.55220794677734	168.0
101.6605453491211	196.0
101.90149688720703	164.0
101.9959487915039	196.0
102.04821014404297	180.0
102.28761291503906	144.0
102.37418365478516	284.0
102.6014404296875	188.0
102.84423065185547	188.0
102.95901489257812	140.0
103.04530334472656	200.0
103.07011413574219	212.0
103.45236206054688	160.0
103.59208679199219	192.0
103.61235046386719	144.0
103.67313385009766	216.0
103.85559844970703	176.0
103.98065185546875	132.0
104.03213500976562	160.0
104.30636596679688	168.0
104.51380920410156	200.0
104.8192367553711	140.0
105.03401947021484	148.0
105.2145767211914	120.0
105.27821350097656	188.0
105.57453155517578	196.0
105.73246765136719	140.0
105.75457000732422	160.0
106.04302215576172	276.0
106.06795501708984	148.0
106.52143859863281	168.0
106.64061737060547	184.0
106.72901153564453	160.0
107.03294372558594	236.0
107.04947662353516	184.0
107.12416076660156	160.0
107.1797866821289	168.0
107.40862274169922	144.0
107.50352478027344	172.0
107.56729888916016	196.0
107.58815002441406	140.0
107.82362365722656	148.0
107.86909484863281	152.0
107.91870880126953	148.0
108.05596923828125	316.0
108.22020721435547	184.0
108.40928649902344	140.0
108.57098388671875	204.0
108.6560287475586	160.0
108.75563049316406	152.0
108.88020324707031	212.0
109.01107788085938	144.0
109.02562713623047	168.0
109.06202697753906	192.0
109.0942153930664	192.0
109.1175537109375	204.0
109.38544464111328	204.0
109.5103759765625	160.0
109.62495422363281	172.0
109.6958236694336	164.0
109.74919128417969	260.0
109.92941284179688	200.0
110.10575103759766	188.0
110.14862823486328	232.0
110.36819458007812	196.0
110.39734649658203	156.0
110.52494049072266	240.0
110.74626922607422	160.0
110.81509399414062	180.0
110.84111785888672	200.0
110.87376403808594	236.0
111.09690856933594	220.0
111.13467407226562	156.0
111.2542953491211	164.0
111.45592498779297	164.0
111.495849609375	180.0
111.544189453125	192.0
111.62632751464844	172.0
111.65080261230469	204.0
111.99447631835938	148.0
112.17147064208984	164.0
112.18970489501953	228.0
112.2105484008789	164.0
112.44989013671875	172.0
112.57233428955078	232.0
112.59556579589844	180.0
112.6187973022461	164.0
112.67372131347656	164.0
112.70752716064453	292.0
112.79840087890625	180.0
112.99718475341797	216.0
113.06578826904297	124.0
113.18556213378906	152.0
113.21732330322266	160.0
113.27027130126953	164.0
113.50340270996094	176.0
113.71765899658203	160.0
114.42765045166016	140.0
114.7770767211914	140.0
115.37226104736328	192.0
115.89551544189453	172.0
116.24877166748047	200.0
116.52513885498047	140.0
116.54938507080078	148.0
116.60311126708984	164.0
116.86975860595703	140.0
116.98712921142578	208.0
117.03549194335938	196.0
117.19918823242188	164.0
117.72767639160156	160.0
118.47821807861328	160.0
118.49554443359375	180.0
118.65061950683594	188.0
118.93576049804688	152.0
119.04981231689453	136.0
119.59434509277344	148.0
119.64659118652344	228.0
119.74240112304688	184.0
119.79249572753906	168.0
119.92706298828125	164.0
119.97991180419922	152.0
120.05404663085938	264.0
120.212158203125	100.0
120.29186248779297	208.0
120.43597412109375	184.0
120.90384674072266	184.0
121.03045654296875	948.0
121.06554412841797	1296.0
121.49764251708984	160.0
121.96977233886719	172.0
122.02472686767578	220.0
122.07199096679688	504.0
122.17207336425781	316.0
122.26448822021484	184.0
122.51990509033203	152.0
122.66313934326172	156.0
122.89028930664062	184.0
122.94986724853516	172.0
123.04531860351562	388.0
123.08094787597656	2736.0
123.11544036865234	180.0
123.4203872680664	144.0
123.57078552246094	236.0
123.72792053222656	268.0
123.81427764892578	148.0
124.08416748046875	204.0
124.17957305908203	252.0
124.2775650024414	140.0
124.31306457519531	168.0
124.37742614746094	188.0
124.48843383789062	276.0
124.53285217285156	236.0
124.64170837402344	272.0
124.71504211425781	152.0
124.74171447753906	144.0
124.76172637939453	148.0
124.77729034423828	176.0
124.80619049072266	224.0
124.93963623046875	184.0
125.3448486328125	176.0
125.52317810058594	220.0
125.77081298828125	188.0
125.78643798828125	232.0
125.87127685546875	176.0
126.0164566040039	204.0
126.06981658935547	164.0
126.45027160644531	220.0
126.50894165039062	132.0
126.70330047607422	164.0
126.75749206542969	128.0
126.81982421875	176.0
126.90867614746094	164.0
127.38751983642578	140.0
127.53132629394531	148.0
127.74044036865234	184.0
127.90245056152344	212.0
127.95873260498047	144.0
128.0668182373047	160.0
128.1839599609375	176.0
128.2132568359375	148.0
128.31695556640625	276.0
129.31312561035156	148.0
129.72763061523438	196.0
129.7865753173828	180.0
130.2449951171875	156.0
130.3290557861328	144.0
130.39268493652344	176.0
130.5245361328125	148.0
130.57456970214844	184.0
130.71788024902344	200.0
130.86355590820312	144.0
130.9204864501953	172.0
131.05032348632812	176.0
131.09588623046875	176.0
131.47901916503906	168.0
131.5680389404297	216.0
131.71189880371094	176.0
131.87808227539062	224.0
132.0295867919922	176.0
132.08218383789062	224.0
132.1325225830078	152.0
132.17897033691406	148.0
132.84268188476562	176.0
133.005615234375	140.0
133.02732849121094	160.0
133.15943908691406	168.0
133.2834930419922	180.0
133.42369079589844	224.0
133.66058349609375	140.0
133.77566528320312	164.0
133.94606018066406	144.0
133.98753356933594	192.0
134.0220947265625	232.0
134.04052734375	152.0
134.14508056640625	152.0
134.88983154296875	152.0
135.0440216064453	5140.0
135.22515869140625	168.0
135.92739868164062	160.0
135.9970245361328	188.0
136.02487182617188	140.0
136.05242919921875	21636.0
136.11541748046875	216.0
136.2013397216797	188.0
136.3865966796875	148.0
136.68312072753906	192.0
136.7047882080078	140.0
137.05569458007812	1864.0
137.1250457763672	168.0
137.2299346923828	164.0
137.63125610351562	228.0
137.79006958007812	200.0
137.84814453125	136.0
138.01516723632812	144.0
138.06536865234375	212.0
138.11422729492188	132.0
139.0778350830078	536.0
139.2186279296875	180.0
139.28700256347656	148.0
139.3574676513672	196.0
139.484375	148.0
139.50318908691406	140.0
139.5272674560547	164.0
139.66778564453125	164.0
139.99021911621094	152.0
140.04478454589844	140.0
140.1014862060547	220.0
140.2705841064453	184.0
140.49325561523438	160.0
140.6597900390625	156.0
140.90281677246094	140.0
141.0140838623047	160.0
141.22686767578125	204.0
141.4114227294922	140.0
141.84249877929688	208.0
141.87094116210938	200.0
142.0701446533203	196.0
142.34071350097656	164.0
142.3834686279297	212.0
142.70425415039062	156.0
142.83505249023438	184.0
143.39219665527344	156.0
143.4136505126953	156.0
143.53045654296875	168.0
144.08657836914062	164.0
144.1248016357422	228.0
144.3710174560547	148.0
144.43385314941406	176.0
144.49778747558594	148.0
144.69642639160156	184.0
145.64089965820312	140.0
145.67727661132812	172.0
145.72802734375	160.0
145.82691955566406	100.0
145.8743133544922	164.0
146.00656127929688	152.0
146.05198669433594	140.0
146.2303009033203	160.0
146.60641479492188	164.0
146.67347717285156	232.0
146.92909240722656	168.0
147.00389099121094	168.0
147.04049682617188	160.0
147.52317810058594	168.0
147.7190399169922	184.0
148.00704956054688	164.0
148.0504150390625	292.0
148.1184539794922	168.0
149.0230255126953	132.0
149.0614471435547	832.0
149.32962036132812	144.0
149.86273193359375	220.0
149.962646484375	188.0
150.03265380859375	192.0
150.0615692138672	176.0
150.15768432617188	156.0
150.4919891357422	248.0
150.51885986328125	176.0
150.62631225585938	180.0
150.7411346435547	168.0
150.80763244628906	172.0
151.03939819335938	5716.0
151.07672119140625	1980.0
151.1470489501953	176.0
151.30369567871094	216.0
151.4612274169922	160.0
152.04124450683594	772.0
152.07862854003906	396.0
152.181396484375	168.0
152.32383728027344	168.0
152.51304626464844	168.0
152.81797790527344	164.0
153.04605102539062	144.0
153.0915985107422	3088.0
153.34494018554688	140.0
153.4040985107422	156.0
153.4312286376953	212.0
153.51113891601562	160.0
153.63343811035156	288.0
153.66058349609375	164.0
153.7173309326172	144.0
154.0933074951172	260.0
154.17356872558594	180.0
154.24832153320312	176.0
154.401611328125	176.0
154.46592712402344	272.0
154.59378051757812	184.0
155.07998657226562	164.0
155.14691162109375	304.0
155.6282196044922	172.0
155.9859619140625	164.0
156.10032653808594	144.0
156.55572509765625	208.0
156.6354217529297	232.0
156.76995849609375	144.0
156.96189880371094	168.0
157.0497283935547	148.0
157.58090209960938	204.0
157.80084228515625	164.0
158.18109130859375	168.0
158.2161407470703	148.0
158.35887145996094	172.0
158.5442657470703	144.0
158.61944580078125	168.0
158.70970153808594	160.0
158.8123779296875	208.0
158.85757446289062	112.0
158.9705810546875	180.0
159.03330993652344	192.0
159.45526123046875	160.0
159.74496459960938	148.0
159.81484985351562	168.0
160.03382873535156	196.0
160.17233276367188	140.0
160.59976196289062	188.0
160.87586975097656	192.0
160.93646240234375	148.0
160.95919799804688	212.0
160.99960327148438	172.0
161.0425262451172	172.0
161.07183837890625	132.0
161.41908264160156	144.0
161.48989868164062	208.0
161.7327880859375	200.0
162.05186462402344	152.0
162.16336059570312	156.0
162.44735717773438	148.0
162.96017456054688	156.0
163.0553741455078	308.0
163.09231567382812	152.0
163.12789916992188	140.0
163.45852661132812	192.0
163.89263916015625	216.0
163.9117889404297	144.0
164.03921508789062	148.0
164.05960083007812	172.0
164.35838317871094	160.0
164.5347900390625	164.0
164.7537384033203	200.0
164.93313598632812	256.0
165.05543518066406	5020.0
165.26251220703125	204.0
165.28677368164062	124.0
165.63414001464844	144.0
165.889404296875	224.0
165.90789794921875	244.0
165.93353271484375	168.0
165.98207092285156	156.0
166.0025177001953	144.0
166.06369018554688	164052.0
166.13162231445312	220.0
166.14944458007812	192.0
166.2194366455078	112.0
166.27212524414062	180.0
166.29522705078125	148.0
166.36215209960938	232.0
166.4112091064453	112.0
166.44287109375	188.0
166.48521423339844	176.0
166.531005859375	168.0
166.56996154785156	208.0
166.8135223388672	148.0
166.8531951904297	148.0
166.9143524169922	192.0
167.0663604736328	14848.0
167.0977783203125	336.0
167.1498260498047	172.0
167.2764434814453	216.0
167.6041717529297	188.0
167.6402587890625	160.0
167.8167724609375	220.0
167.9205322265625	100.0
168.06781005859375	996.0
168.12969970703125	232.0
168.19757080078125	132.0
168.24380493164062	192.0
168.27369689941406	168.0
168.30943298339844	340.0
168.34686279296875	152.0
168.39207458496094	124.0
168.4766082763672	164.0
168.7133331298828	160.0
168.9453125	140.0
169.03468322753906	172.0
169.06832885742188	168.0
169.0858612060547	400.0
169.11749267578125	208.0
169.25469970703125	160.0
169.30691528320312	244.0
169.4204559326172	188.0
169.57852172851562	208.0
169.80667114257812	168.0
170.05540466308594	580.0
170.10107421875	104.0
170.5778350830078	200.0
170.85348510742188	224.0
171.05368041992188	120.0
171.49143981933594	140.0
171.57843017578125	140.0
171.77565002441406	188.0
171.934814453125	148.0
172.08099365234375	160.0
172.1514892578125	256.0
172.29776000976562	180.0
172.38143920898438	144.0
172.84681701660156	144.0
173.2552490234375	148.0
173.3155059814453	176.0
173.4937286376953	160.0
173.61172485351562	184.0
173.88717651367188	176.0
174.25743103027344	232.0
174.29421997070312	180.0
174.32049560546875	152.0
174.50718688964844	144.0
175.12551879882812	144.0
175.17820739746094	144.0
175.30203247070312	160.0
175.51983642578125	172.0
175.77932739257812	144.0
175.85585021972656	156.0
176.50308227539062	148.0
176.7252655029297	164.0
177.97630310058594	192.0
178.06454467773438	124.0
178.2020721435547	168.0
178.33493041992188	180.0
178.5290069580078	196.0
178.62210083007812	140.0
178.82432556152344	176.0
179.07125854492188	240.0
179.11187744140625	176.0
179.6236572265625	140.0
179.67092895507812	256.0
179.72903442382812	128.0
179.80242919921875	140.0
179.8824920654297	140.0
179.90118408203125	168.0
179.97274780273438	108.0
180.00225830078125	100.0
180.0587158203125	168.0
180.0843505859375	148.0
180.1061248779297	144.0
180.14488220214844	264.0
180.35906982421875	144.0
180.42440795898438	140.0
180.4840545654297	168.0
180.55380249023438	156.0
180.5982208251953	432.0
180.6410675048828	160.0
180.73770141601562	320.0
180.76902770996094	132.0
180.79141235351562	440.0
180.83065795898438	196.0
180.86048889160156	464.0
180.89666748046875	104.0
180.9463653564453	296.0
180.95925903320312	268.0
180.99807739257812	372.0
181.02056884765625	268.0
181.0536651611328	516.0
181.0879364013672	295048.0
181.1875	112.0
181.26124572753906	196.0
181.3030548095703	160.0
181.3240966796875	284.0
181.3320770263672	404.0
181.40625	228.0
181.4346923828125	232.0
181.47769165039062	176.0
181.5003662109375	588.0
181.5280303955078	7400.0
181.56126403808594	232.0
181.6552276611328	204.0
181.7572784423828	124.0
181.81797790527344	220.0
181.85731506347656	168.0
181.92413330078125	144.0
182.0172119140625	156.0
182.0533447265625	296.0
182.0903778076172	60448.0
182.15838623046875	184.0
182.1947784423828	300.0
182.24281311035156	140.0
182.2806854248047	128.0
182.34463500976562	120.0
182.38331604003906	140.0
182.42405700683594	240.0
182.4453887939453	172.0
182.47921752929688	200.0
182.56007385253906	224.0
182.6002960205078	268.0
182.6998291015625	144.0
182.7456512451172	132.0
183.0613250732422	20860.0
183.09156799316406	4312.0
183.1341094970703	152.0
183.1776123046875	176.0
183.18606567382812	176.0
183.22982788085938	112.0
183.29798889160156	140.0
183.34230041503906	140.0
183.35885620117188	248.0
183.38096618652344	112.0
183.43177795410156	260.0
183.48342895507812	180.0
183.5229949951172	264.0
183.5913848876953	124.0
183.64517211914062	136.0
183.6727294921875	124.0
183.96998596191406	132.0
184.064697265625	2404.0
184.09365844726562	392.0
184.12342834472656	132.0
184.28822326660156	204.0
184.4008026123047	184.0
184.4584503173828	116.0
184.49989318847656	172.0
184.99732971191406	104.0
185.06491088867188	460.0
185.1450958251953	120.0
185.28692626953125	108.0
185.40589904785156	124.0
185.4621124267578	116.0
186.0402069091797	212.0
186.33242797851562	196.0
186.35960388183594	172.0
186.57159423828125	168.0
186.74392700195312	148.0
187.46434020996094	164.0
188.04400634765625	596.0
188.0752410888672	172.0
188.12437438964844	208.0
188.30186462402344	160.0
189.14125061035156	184.0
189.35333251953125	216.0
189.61085510253906	96.0
189.86181640625	200.0
190.62771606445312	232.0
191.08689880371094	192.0
192.0979461669922	172.0
194.09512329101562	272.0
195.68682861328125	152.0
196.10208129882812	180.0
197.1400604248047	176.0
197.948486328125	140.0
199.09542846679688	164.0
199.29132080078125	168.0
199.85440063476562	216.0
199.92474365234375	148.0
200.16683959960938	176.0
200.4710693359375	164.0
201.0068359375	212.0
201.05113220214844	6156.0
201.1790008544922	176.0
202.05711364746094	1504.0
202.26730346679688	140.0
202.32958984375	180.0
202.38406372070312	232.0
202.56871032714844	108.0
202.65939331054688	148.0
202.69102478027344	288.0
202.73829650878906	324.0
202.81777954101562	212.0
202.90469360351562	108.0
202.94580078125	176.0
202.99681091308594	148.0
203.06826782226562	210260.0
203.15127563476562	284.0
203.18359375	140.0
203.2211151123047	184.0
203.24386596679688	116.0
203.2712860107422	216.0
203.34413146972656	252.0
203.40501403808594	120.0
203.43756103515625	248.0
203.47311401367188	220.0
203.50706481933594	112.0
203.53306579589844	352.0
203.703857421875	144.0
203.74337768554688	200.0
203.99810791015625	248.0
204.02691650390625	124.0
204.07057189941406	30176.0
204.19969177246094	288.0
204.26690673828125	204.0
204.284912109375	172.0
204.34214782714844	120.0
205.07261657714844	1048.0
205.1212921142578	104.0
205.1601104736328	112.0
205.2042694091797	128.0
205.2718963623047	136.0
205.37486267089844	156.0
205.4047088623047	156.0
205.44308471679688	172.0
205.54623413085938	144.0
205.58056640625	120.0
205.61065673828125	132.0
205.7432098388672	212.0
206.0815887451172	212.0
206.1770782470703	124.0
206.50401306152344	168.0
207.12355041503906	184.0
208.10699462890625	176.0
209.21078491210938	104.0
211.06903076171875	356.0
212.07505798339844	168.0
214.47035217285156	140.0
215.04200744628906	232.0
217.7501983642578	160.0
220.08836364746094	144.0
220.6349334716797	196.0
221.09339904785156	152.0
221.11412048339844	232.0
222.11419677734375	352.0
222.851806640625	180.0
224.1345977783203	148.0
225.87770080566406	164.0
227.30076599121094	200.0
232.03921508789062	212.0
234.2759552001953	188.0
234.9832305908203	144.0
235.14100646972656	308.0
243.93597412109375	148.0
247.27340698242188	164.0
251.16314697265625	188.0
260.9206237792969	152.0
264.06134033203125	224.0
264.4896545410156	192.0
265.02923583984375	372.0
265.15570068359375	9980.0
265.2047119140625	164.0
265.781494140625	144.0
266.1228942871094	212.0
266.16046142578125	1568.0
266.7005310058594	172.0
267.0256652832031	168.0
267.13848876953125	152.0
267.1611633300781	372.0
267.6823425292969	96.0
268.139404296875	224.0
268.1749572753906	216.0
269.134033203125	240.0
273.4842834472656	152.0
275.4032287597656	148.0
280.778076171875	100.0
281.7078552246094	140.0
282.1523132324219	172.0
284.9541015625	196.0
285.046142578125	184.0
287.1356201171875	360.0
287.3006286621094	184.0
288.139892578125	244.0
290.4906311035156	180.0
291.16607666015625	152.0
297.28717041015625	180.0
297.9979553222656	148.0
301.170654296875	148.0
303.0733337402344	168.0
304.0650939941406	152.0
305.06195068359375	144.0
305.2253723144531	152.0
309.39471435546875	168.0
316.4536437988281	168.0
325.0115661621094	156.0
331.0348815917969	144.0
333.0186462402344	156.0
334.2255554199219	180.0
340.1644287109375	144.0
347.40460205078125	144.0
351.0831298828125	164.0
352.3036193847656	164.0
361.7956237792969	216.0
365.5265197753906	176.0
368.8062744140625	140.0
369.7050476074219	156.0
371.1184997558594	192.0
375.2362365722656	156.0
376.86883544921875	164.0
380.3270568847656	160.0
384.0116271972656	148.0
384.83502197265625	156.0
386.23797607421875	196.0
394.53131103515625	160.0
394.7962341308594	144.0
395.888427734375	180.0
396.3083190917969	148.0
397.8590393066406	164.0
406.9698791503906	144.0
407.2871398925781	176.0
409.3784484863281	148.0
410.656005859375	184.0
419.275390625	192.0
419.69525146484375	156.0
420.31524658203125	148.0
424.5039367675781	152.0
425.8459167480469	160.0
429.66998291015625	168.0
430.0661315917969	152.0
431.19366455078125	152.0
431.8468933105469	172.0
436.4791259765625	160.0
438.21063232421875	140.0
438.4256896972656	104.0
439.4197082519531	160.0
440.185791015625	168.0
445.1372375488281	148.0
445.3556213378906	140.0
445.77154541015625	200.0
447.5381774902344	176.0
448.98773193359375	140.0
449.2231750488281	3444.0
449.29144287109375	388.0
449.67657470703125	136.0
450.173583984375	152.0
450.22723388671875	1036.0
451.2236633300781	288.0
451.2679443359375	148.0
451.4413146972656	144.0
454.2904357910156	140.0
455.16180419921875	152.0
460.75836181640625	168.0
461.15692138671875	116.0
461.50201416015625	160.0
462.4602355957031	148.0
462.8583679199219	168.0
463.20098876953125	180.0
463.3209533691406	196.0
465.22930908203125	156.0
465.55047607421875	120.0
465.7059326171875	148.0
466.00823974609375	96.0
466.638427734375	192.0
467.2254638671875	152.0
467.3183288574219	96.0
467.373291015625	112.0
467.5527038574219	160.0
467.9267272949219	140.0
468.0556335449219	216.0
468.1372985839844	172.0
468.2110290527344	104.0
468.2605895996094	196.0
468.3403015136719	176.0
468.3961181640625	208.0
468.4286804199219	112.0
468.5277404785156	288.0
468.59320068359375	124.0
468.8929748535156	208.0
468.9451599121094	100.0
468.98236083984375	272.0
469.0417175292969	216.0
469.0778503417969	264.0
469.1322326660156	264.0
469.23199462890625	147888.0
469.3398742675781	160.0
469.3714904785156	200.0
469.531982421875	128.0
469.6385192871094	416.0
469.7263488769531	132.0
469.8031005859375	196.0
469.8596496582031	132.0
469.8970642089844	200.0
469.944091796875	832.0
470.00067138671875	304.0
470.04071044921875	176.0
470.1067199707031	288.0
470.2344055175781	65360.0
470.3447570800781	200.0
470.5467224121094	184.0
470.6247253417969	120.0
470.69488525390625	168.0
470.733642578125	184.0
470.8899230957031	136.0
470.9419250488281	232.0
471.0844421386719	268.0
471.2353515625	7860.0
471.353759765625	124.0
471.63690185546875	100.0
471.7408447265625	136.0
471.86041259765625	148.0
471.9208068847656	128.0
472.1551818847656	260.0
472.2397766113281	588.0
472.3121337890625	280.0
472.36688232421875	240.0
472.4457702636719	96.0
472.5260314941406	100.0
472.61895751953125	100.0
472.6593017578125	108.0
472.714599609375	224.0
472.8285217285156	272.0
472.9132995605469	144.0
472.9886169433594	184.0
473.118896484375	156.0
473.1956481933594	108.0
473.2400207519531	212.0
473.2830810546875	116.0
473.47344970703125	160.0
473.5631103515625	140.0
473.9509582519531	120.0
474.0626220703125	100.0
474.16790771484375	200.0
474.93890380859375	96.0
475.1937561035156	96.0
476.2491760253906	204.0
491.49298095703125	160.0
503.5008850097656	152.0
599.8284912109375	144.0
639.80029296875	144.0
763.997802734375	196.0
844.5111083984375	156.0
1036.8294677734375	188.0
1123.983154296875	196.0
1147.5057373046875	160.0
1173.58203125	160.0
1253.033447265625	152.0
1255.9801025390625	240.0
1261.51611328125	176.0
1275.3880615234375	164.0
1294.5009765625	208.0
1316.029296875	176.0
1325.2293701171875	164.0
1331.315185546875	168.0
1337.1893310546875	296.0
1358.2393798828125	156.0
1401.37646484375	140.0
1423.547119140625	204.0
1437.3751220703125	200.0
1445.5057373046875	232.0
1447.7540283203125	160.0
1449.8828125	264.0
1457.615478515625	152.0
1466.1993408203125	168.0
1467.586669921875	180.0
1480.584716796875	236.0
1489.450927734375	160.0
1490.4803466796875	180.0
1490.872314453125	176.0
1490.9798583984375	144.0
1507.958251953125	184.0
1516.8826904296875	160.0
1539.9375	200.0
1550.8050537109375	140.0
1557.8592529296875	204.0
1557.96923828125	180.0
1570.800537109375	184.0
1574.6917724609375	216.0
1582.5125732421875	204.0
1582.8292236328125	152.0
1588.908447265625	168.0
1594.315673828125	140.0
1595.8895263671875	140.0
1617.5972900390625	144.0
1618.2376708984375	156.0
1618.5499267578125	180.0
1621.5941162109375	148.0
1622.7003173828125	232.0
1633.5096435546875	220.0
1640.1527099609375	208.0
1652.5245361328125	184.0
1652.953369140625	176.0
1658.9791259765625	160.0
1659.0926513671875	184.0
1663.49755859375	200.0
1665.35693359375	180.0
1674.53125	220.0
1675.3865966796875	168.0
1681.64892578125	192.0
1684.6129150390625	156.0
1686.3861083984375	156.0
1687.3424072265625	140.0
1690.123291015625	184.0
1700.5552978515625	224.0
1700.826171875	184.0
1706.8480224609375	152.0
1708.443603515625	148.0
1711.2418212890625	220.0
1712.872314453125	160.0
1715.8472900390625	176.0
1717.0428466796875	148.0
1722.366455078125	216.0
1724.3988037109375	148.0
1728.3353271484375	204.0
1735.3258056640625	148.0
1738.8927001953125	140.0
1741.6575927734375	160.0
1746.653076171875	204.0
1746.9739990234375	164.0
1751.51416015625	144.0
1755.623046875	172.0
1755.9149169921875	168.0
1761.8914794921875	208.0
1768.430419921875	164.0
1768.606201171875	156.0
1768.7568359375	164.0
1770.589111328125	176.0
1772.575927734375	188.0
1776.11376953125	200.0
1778.773681640625	192.0
1782.3681640625	176.0
1784.1500244140625	172.0
1786.6275634765625	236.0
1788.33056640625	160.0
1789.7869873046875	208.0
1789.879638671875	160.0
1790.82275390625	144.0
1792.1116943359375	160.0
1793.3167724609375	144.0
1796.701171875	172.0
1802.980224609375	176.0
1806.7259521484375	196.0
1807.04736328125	172.0
1807.5804443359375	160.0
1807.6904296875	144.0
1808.7314453125	168.0
1810.958251953125	252.0
1812.49169921875	184.0
1813.152587890625	228.0
1817.384033203125	220.0
1826.29541015625	176.0
1830.6102294921875	180.0
1830.86572265625	160.0
1831.836669921875	172.0
1833.4129638671875	160.0
1836.192138671875	160.0
1839.3917236328125	164.0
1840.8175048828125	160.0
1841.552001953125	160.0
1841.623779296875	120.0
1843.2093505859375	180.0
1845.118896484375	196.0
1847.0906982421875	164.0
1848.57080078125	140.0
1853.802978515625	152.0
1853.928955078125	124.0
1857.4638671875	168.0
1867.066162109375	168.0
1868.14990234375	160.0
1871.015625	188.0
1871.144775390625	208.0
1877.4520263671875	160.0
1879.98828125	176.0
1886.4056396484375	148.0
1892.66064453125	184.0
1897.165771484375	204.0
1901.6416015625	224.0
1904.7847900390625	144.0
1908.038818359375	176.0
1915.571044921875	148.0
1921.734619140625	188.0
1924.05615234375	148.0
1924.20458984375	148.0
1924.6585693359375	176.0
1930.50439453125	200.0
1932.489990234375	148.0
1933.3651123046875	204.0
1934.2227783203125	144.0
1936.16650390625	164.0
1937.00732421875	188.0
1937.6116943359375	156.0
1939.7938232421875	192.0
1940.039306640625	192.0
1940.1619873046875	148.0
1946.119140625	196.0
1951.00390625	216.0
1953.0615234375	224.0
1954.244140625	168.0
1955.1995849609375	152.0
1959.8665771484375	176.0
1960.8624267578125	184.0
1961.444091796875	224.0
1962.863525390625	148.0
1965.4302978515625	164.0
1965.9068603515625	156.0
1967.1512451171875	180.0
1970.9488525390625	188.0
1972.734130859375	148.0
1973.6978759765625	148.0
1973.8304443359375	188.0
1977.0806884765625	164.0
1977.9266357421875	148.0
1978.7764892578125	148.0
1979.130615234375	168.0
1980.0338134765625	144.0
1980.4146728515625	188.0
1981.0347900390625	140.0
1982.9219970703125	144.0
1983.6553955078125	216.0
1985.490234375	156.0
1986.9034423828125	156.0
1987.7906494140625	144.0
1988.615966796875	164.0
1991.563720703125	160.0
1991.9278564453125	140.0
1997.616943359375	176.0
1999.0048828125	208.0
1999.298583984375	140.0
1999.82373046875	180.0
2001.7021484375	140.0
2002.4591064453125	184.0
2002.93115234375	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079114
PEPMASS=256.007996
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=anagrelide hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl
INCHI=InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)
INCHIAUX=OTBXOEAOVRKTNQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079114
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079114
SCANS=1103
45.25320816040039	148.0
46.421470642089844	228.0
46.608795166015625	220.0
46.64820861816406	152.0
46.72572326660156	184.0
46.744773864746094	184.0
47.078758239746094	216.0
47.409820556640625	196.0
47.91823196411133	160.0
48.45567321777344	232.0
48.50556182861328	180.0
48.565185546875	156.0
48.84716033935547	164.0
49.92626190185547	272.0
50.58869171142578	180.0
50.83388900756836	144.0
50.99436569213867	156.0
51.338897705078125	164.0
51.43734359741211	232.0
51.53302764892578	168.0
51.74470138549805	152.0
51.840667724609375	208.0
52.33768081665039	240.0
52.575531005859375	148.0
53.44062042236328	144.0
55.53703308105469	140.0
55.91590118408203	224.0
56.302032470703125	200.0
56.538238525390625	144.0
57.834102630615234	152.0
58.01587677001953	148.0
58.09928512573242	188.0
58.24653625488281	172.0
58.52484130859375	140.0
58.66653060913086	228.0
58.849605560302734	220.0
58.96417236328125	108.0
59.22580337524414	140.0
59.25031280517578	200.0
59.56479263305664	164.0
59.943267822265625	144.0
60.79068374633789	144.0
60.921104431152344	144.0
60.97237777709961	164.0
61.04544448852539	176.0
62.15922927856445	212.0
63.07426071166992	228.0
63.579505920410156	292.0
64.12979125976562	184.0
64.47293090820312	196.0
65.11375427246094	148.0
65.92571258544922	160.0
66.06637573242188	180.0
66.39356994628906	152.0
66.4324951171875	160.0
67.3424072265625	152.0
67.61544036865234	148.0
68.13195037841797	212.0
68.83193969726562	196.0
69.04842376708984	180.0
70.66866302490234	152.0
71.02213287353516	228.0
71.72834777832031	148.0
72.11656951904297	204.0
72.22816467285156	164.0
72.33815002441406	184.0
73.30284881591797	152.0
73.58087158203125	212.0
73.99803161621094	188.0
74.08194732666016	164.0
74.8617172241211	148.0
75.158203125	144.0
75.73734283447266	172.0
75.74946594238281	160.0
75.8777084350586	176.0
76.50312042236328	156.0
76.5536117553711	176.0
76.70344543457031	184.0
77.1625747680664	260.0
77.88280487060547	172.0
78.0550308227539	196.0
78.59066009521484	176.0
78.75467681884766	184.0
78.89250183105469	212.0
78.97384643554688	176.0
80.66127014160156	156.0
80.9493179321289	156.0
81.0854721069336	204.0
81.44969177246094	176.0
82.18240356445312	240.0
82.71553039550781	228.0
83.08443450927734	160.0
83.1087875366211	156.0
83.42715454101562	164.0
84.28138732910156	200.0
84.41117095947266	160.0
84.7204818725586	172.0
86.88668060302734	148.0
86.92935943603516	148.0
88.16962432861328	196.0
88.33789825439453	164.0
88.74053955078125	232.0
90.0068359375	168.0
90.05782318115234	144.0
90.32811737060547	212.0
90.80921936035156	144.0
90.85285186767578	180.0
92.02520751953125	172.0
92.66592407226562	172.0
93.63021087646484	176.0
93.83253479003906	148.0
94.88038635253906	208.0
95.52900695800781	224.0
96.3653564453125	196.0
98.21855163574219	196.0
98.404052734375	188.0
98.46131134033203	156.0
99.02100372314453	176.0
99.75714111328125	140.0
99.96000671386719	140.0
100.01605987548828	148.0
100.1332015991211	172.0
100.56185913085938	208.0
101.3377456665039	196.0
101.44396209716797	236.0
101.62646484375	184.0
101.73062133789062	212.0
103.2197265625	244.0
103.53136444091797	152.0
105.25578308105469	156.0
106.69820404052734	236.0
107.00680541992188	156.0
107.46501922607422	100.0
108.98617553710938	148.0
109.1399917602539	208.0
109.56248474121094	160.0
109.92736053466797	252.0
110.44338989257812	144.0
110.62124633789062	172.0
110.7029037475586	152.0
111.99662017822266	160.0
112.12303161621094	212.0
112.5660400390625	168.0
113.82172393798828	160.0
113.94001007080078	248.0
114.02352905273438	168.0
115.0841064453125	132.0
115.9721450805664	156.0
116.63539123535156	212.0
118.32015991210938	180.0
118.86634826660156	272.0
120.86449432373047	228.0
120.9607925415039	188.0
121.67544555664062	208.0
121.72594451904297	160.0
122.42743682861328	144.0
122.61248779296875	172.0
122.96315002441406	304.0
123.28834533691406	160.0
124.06690979003906	160.0
124.61508178710938	192.0
125.10435485839844	160.0
125.16223907470703	196.0
125.71729278564453	164.0
126.13270568847656	156.0
126.36080169677734	152.0
126.497314453125	184.0
126.56448364257812	144.0
126.99923706054688	192.0
127.03533172607422	132.0
127.39429473876953	180.0
127.73759460449219	256.0
127.82597351074219	176.0
127.87773132324219	140.0
127.99479675292969	176.0
128.02182006835938	160.0
128.1344451904297	236.0
128.33502197265625	180.0
128.37786865234375	164.0
128.55157470703125	260.0
128.65765380859375	188.0
129.04417419433594	328.0
129.58489990234375	164.0
129.6737823486328	236.0
130.13377380371094	156.0
130.3291015625	176.0
132.36143493652344	184.0
132.9620361328125	172.0
133.1112518310547	176.0
134.79049682617188	184.0
135.09568786621094	148.0
135.57496643066406	168.0
135.62594604492188	200.0
135.99346923828125	292.0
136.07598876953125	180.0
136.4337615966797	184.0
137.0021209716797	688.0
138.00799560546875	404.0
138.10101318359375	148.0
139.0031280517578	168.0
139.05694580078125	180.0
139.07571411132812	160.0
139.8984375	148.0
140.00909423828125	152.0
140.6810760498047	192.0
141.1086883544922	144.0
141.2647705078125	248.0
142.2671661376953	160.0
142.4286346435547	156.0
142.63059997558594	156.0
142.89456176757812	172.0
143.23260498046875	164.0
143.74757385253906	176.0
144.26107788085938	180.0
144.97006225585938	180.0
145.96812438964844	140.0
146.4157257080078	168.0
146.76031494140625	192.0
146.8278350830078	188.0
147.3057403564453	152.0
148.82907104492188	160.0
149.9578094482422	140.0
150.75340270996094	252.0
150.78517150878906	200.0
150.88294982910156	160.0
151.01889038085938	4644.0
151.07369995117188	204.0
151.14955139160156	196.0
151.56581115722656	188.0
152.02474975585938	176.0
152.1378631591797	196.0
153.014404296875	1488.0
154.01864624023438	132.0
154.4263916015625	144.0
154.98440551757812	204.0
155.7052459716797	192.0
155.90399169921875	176.0
156.01087951660156	244.0
156.68528747558594	172.0
157.14154052734375	192.0
157.98345947265625	148.0
158.02098083496094	148.0
158.8326416015625	248.0
158.95556640625	156.0
159.84007263183594	152.0
161.88560485839844	184.0
163.00747680664062	400.0
163.13304138183594	144.0
164.00987243652344	728.0
164.6337432861328	164.0
164.8508758544922	172.0
165.00448608398438	172.0
165.2753448486328	140.0
165.92225646972656	144.0
166.00440979003906	136.0
166.0684356689453	212.0
166.64451599121094	152.0
167.04556274414062	168.0
167.07376098632812	5200.0
167.17420959472656	172.0
167.60423278808594	160.0
168.07733154296875	1044.0
168.2077178955078	212.0
168.53053283691406	192.0
169.88714599609375	144.0
169.91567993164062	176.0
170.00909423828125	144.0
170.424560546875	152.0
171.93748474121094	176.0
171.97251892089844	2964.0
172.6402130126953	144.0
172.97036743164062	636.0
173.9687042236328	2272.0
174.33737182617188	196.0
174.6807403564453	192.0
174.966552734375	328.0
174.99301147460938	140.0
175.3864288330078	208.0
175.98561096191406	152.0
176.81263732910156	184.0
177.37680053710938	168.0
177.62347412109375	140.0
178.94024658203125	204.0
180.02406311035156	212.0
180.07920837402344	208.0
180.36068725585938	148.0
180.62808227539062	160.0
181.37246704101562	212.0
181.6979217529297	164.0
181.75596618652344	176.0
182.03244018554688	192.0
182.05123901367188	168.0
182.0964813232422	7960.0
182.43545532226562	196.0
182.7151336669922	196.0
183.10133361816406	1672.0
183.1431427001953	144.0
183.5096435546875	148.0
183.97012329101562	192.0
184.107177734375	188.0
184.45449829101562	184.0
185.1769256591797	140.0
185.98773193359375	1720.0
186.1287841796875	172.0
186.41909790039062	224.0
186.97512817382812	140.0
187.984130859375	972.0
188.0507354736328	172.0
188.13262939453125	224.0
188.7200164794922	276.0
188.8293914794922	176.0
189.09588623046875	168.0
190.0511474609375	140.0
190.4904022216797	144.0
190.7019805908203	140.0
191.0319366455078	152.0
191.3153839111328	156.0
191.99005126953125	116.0
192.60867309570312	172.0
192.71363830566406	148.0
192.85458374023438	160.0
193.09466552734375	148.0
193.36624145507812	204.0
193.49635314941406	148.0
194.57757568359375	164.0
195.08596801757812	188.0
195.544921875	172.0
195.895751953125	172.0
196.13259887695312	152.0
196.97006225585938	120.0
197.04791259765625	200.0
197.23794555664062	192.0
197.30223083496094	248.0
197.70220947265625	164.0
198.22027587890625	184.0
198.5398406982422	184.0
198.75880432128906	136.0
198.78109741210938	156.0
198.82241821289062	312.0
198.89492797851562	164.0
198.91860961914062	144.0
198.98358154296875	108268.0
199.0670166015625	172.0
199.1807403564453	136.0
199.2221221923828	284.0
199.27880859375	260.0
199.38729858398438	120.0
199.55755615234375	136.0
199.6038055419922	176.0
199.68377685546875	124.0
199.8721160888672	136.0
199.8946990966797	204.0
199.98666381835938	5560.0
200.11260986328125	100.0
200.8045196533203	184.0
200.88687133789062	192.0
200.94583129882812	136.0
200.98008728027344	57600.0
201.07936096191406	160.0
201.2148895263672	176.0
201.30517578125	108.0
201.3811798095703	132.0
201.43536376953125	120.0
201.6304473876953	104.0
201.8529052734375	152.0
201.984130859375	2264.0
202.06503295898438	176.0
202.62985229492188	184.0
202.9723663330078	276.0
203.02101135253906	156.0
203.25509643554688	100.0
203.31126403808594	132.0
203.50286865234375	152.0
203.61129760742188	156.0
203.77037048339844	160.0
205.90675354003906	168.0
207.70706176757812	192.0
209.55841064453125	212.0
210.1494598388672	144.0
210.68934631347656	144.0
210.97833251953125	184.0
211.47007751464844	232.0
211.51058959960938	140.0
212.7890167236328	160.0
214.70657348632812	204.0
216.99319458007812	176.0
217.19261169433594	144.0
218.992919921875	172.0
220.8390350341797	184.0
220.898193359375	180.0
222.3173828125	204.0
224.7126922607422	204.0
226.59024047851562	164.0
227.78013610839844	136.0
227.812744140625	112.0
227.8822784423828	244.0
227.90798950195312	236.0
227.95846557617188	152.0
228.0096435546875	42312.0
228.09390258789062	184.0
228.16729736328125	144.0
228.4861297607422	96.0
229.0122833251953	4036.0
229.08973693847656	188.0
229.2675018310547	180.0
229.50885009765625	176.0
229.9331512451172	188.0
229.97401428222656	184.0
230.0069122314453	19348.0
230.45843505859375	160.0
230.5319366455078	160.0
230.66775512695312	196.0
231.0095672607422	976.0
231.03988647460938	300.0
232.00730895996094	160.0
232.84036254882812	168.0
233.0195770263672	148.0
233.52114868164062	172.0
233.93191528320312	160.0
234.2029266357422	140.0
235.37094116210938	160.0
236.90933227539062	168.0
237.10848999023438	180.0
237.22496032714844	192.0
238.7017364501953	144.0
240.00010681152344	112.0
240.0288848876953	200.0
241.76495361328125	216.0
242.6880340576172	160.0
243.15643310546875	152.0
246.0151824951172	212.0
246.24488830566406	152.0
246.76986694335938	152.0
248.48301696777344	172.0
250.18951416015625	196.0
251.99978637695312	156.0
253.29049682617188	160.0
253.6136932373047	184.0
254.11996459960938	160.0
254.17283630371094	128.0
254.3749542236328	216.0
254.57180786132812	144.0
255.07061767578125	140.0
255.12326049804688	164.0
255.18186950683594	140.0
255.2931671142578	188.0
255.52536010742188	188.0
255.60118103027344	212.0
255.69937133789062	140.0
255.7572021484375	136.0
255.83099365234375	112.0
255.88394165039062	172.0
255.908447265625	160.0
255.9459228515625	464.0
256.00567626953125	146800.0
256.2243957519531	112.0
256.27728271484375	228.0
256.3636474609375	104.0
256.42510986328125	108.0
256.4497375488281	192.0
256.488525390625	228.0
256.5293273925781	244.0
256.62005615234375	208.0
256.73480224609375	176.0
256.7708435058594	160.0
257.0074462890625	11704.0
257.1644592285156	192.0
257.2464294433594	148.0
257.3938293457031	196.0
257.502685546875	140.0
257.60565185546875	160.0
257.7189025878906	212.0
257.80328369140625	108.0
257.841064453125	148.0
257.86346435546875	168.0
257.89556884765625	144.0
258.002197265625	72840.0
258.08734130859375	196.0
258.27459716796875	100.0
258.4705810546875	236.0
258.5804138183594	124.0
258.62908935546875	152.0
258.67266845703125	232.0
258.7263488769531	132.0
258.7803649902344	224.0
258.8418884277344	144.0
258.86370849609375	188.0
258.96234130859375	208.0
259.004638671875	5116.0
259.0925598144531	184.0
259.5749816894531	108.0
260.0071105957031	168.0
260.38409423828125	200.0
260.4568176269531	132.0
260.6130676269531	172.0
260.70977783203125	140.0
260.7665710449219	160.0
260.8141784667969	140.0
261.879638671875	112.0
274.0112609863281	152.0
297.0436706542969	176.0
452.1183166503906	168.0
1136.9991455078125	176.0
1401.8463134765625	180.0
1475.902099609375	196.0
1493.79443359375	192.0
1501.0262451171875	208.0
1514.1480712890625	208.0
1526.782470703125	172.0
1589.4801025390625	140.0
1616.2452392578125	176.0
1624.24853515625	144.0
1631.28271484375	208.0
1648.9266357421875	220.0
1814.5517578125	148.0
1815.993408203125	140.0
1818.2501220703125	144.0
1847.399169921875	152.0
1849.2388916015625	152.0
1863.044189453125	200.0
1887.2879638671875	260.0
1890.41064453125	152.0
1910.052978515625	164.0
1922.87841796875	176.0
1952.367431640625	160.0
1957.9732666015625	144.0
1968.65283203125	176.0
1970.04833984375	180.0
1970.13671875	204.0
1970.3045654296875	152.0
1975.61767578125	176.0
1977.9892578125	256.0
1978.5203857421875	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079115
PEPMASS=247.184708
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Milnacipran [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2
INCHI=InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1
INCHIAUX=GJJFMKBJSRMPLA-HIFRSBDPSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079115
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079115
SCANS=1059
44.94308090209961	140.0
45.10200119018555	144.0
45.1964111328125	188.0
45.2558479309082	176.0
45.26789855957031	164.0
45.744529724121094	236.0
45.846893310546875	160.0
46.07627868652344	156.0
46.45673370361328	140.0
46.50961685180664	236.0
46.732486724853516	204.0
46.87137222290039	236.0
47.05413818359375	168.0
47.151123046875	140.0
47.33854293823242	160.0
47.498897552490234	184.0
47.608699798583984	212.0
47.72549819946289	228.0
47.934722900390625	196.0
47.97745132446289	156.0
48.06710433959961	176.0
48.195518493652344	140.0
48.289520263671875	160.0
48.4847297668457	216.0
48.60676574707031	180.0
48.66089630126953	192.0
48.81148910522461	168.0
49.126487731933594	196.0
49.17285919189453	128.0
49.35896301269531	172.0
49.52845001220703	152.0
49.67267990112305	144.0
49.98739242553711	212.0
50.24382400512695	144.0
50.26639938354492	172.0
50.38359069824219	160.0
50.46273422241211	152.0
50.563167572021484	192.0
50.638206481933594	180.0
50.68996810913086	152.0
50.744483947753906	192.0
51.03251647949219	180.0
51.74465560913086	260.0
51.84635925292969	152.0
51.90513229370117	184.0
51.97685241699219	160.0
52.38516616821289	140.0
52.649112701416016	152.0
52.90214538574219	144.0
53.16884231567383	144.0
53.30099105834961	164.0
53.45221710205078	160.0
53.56577682495117	156.0
53.579933166503906	212.0
53.68091583251953	152.0
53.94810485839844	144.0
53.96418762207031	156.0
54.18811798095703	140.0
54.254066467285156	144.0
54.31712341308594	168.0
54.643253326416016	160.0
54.71683883666992	144.0
54.88185501098633	200.0
55.0456428527832	192.0
55.1076774597168	180.0
55.28660202026367	148.0
55.44131851196289	128.0
55.571102142333984	176.0
55.691349029541016	152.0
56.00011444091797	148.0
56.2124137878418	168.0
56.364723205566406	168.0
56.57710647583008	200.0
56.68794250488281	196.0
56.774654388427734	128.0
56.86040496826172	160.0
56.98804473876953	188.0
57.11883544921875	164.0
57.29975891113281	152.0
57.38930130004883	168.0
57.94687271118164	216.0
58.012794494628906	184.0
58.02597427368164	156.0
58.06283187866211	168.0
58.18574142456055	168.0
58.57200241088867	200.0
58.61922836303711	200.0
58.683250427246094	232.0
58.724185943603516	156.0
58.7442512512207	176.0
58.94272994995117	212.0
58.9992790222168	148.0
59.32808303833008	144.0
59.47414779663086	172.0
59.6554069519043	168.0
59.83232116699219	152.0
59.88775634765625	144.0
59.926265716552734	164.0
60.17921447753906	260.0
60.268798828125	208.0
60.403297424316406	216.0
60.64639663696289	148.0
60.75339126586914	144.0
60.83408737182617	164.0
60.888431549072266	140.0
61.183868408203125	240.0
61.19700622558594	192.0
61.49303436279297	172.0
61.55282974243164	200.0
61.57837677001953	156.0
61.68306350708008	184.0
61.74873352050781	152.0
61.76750183105469	176.0
61.791847229003906	192.0
61.84260940551758	160.0
62.33976364135742	264.0
62.42963409423828	164.0
62.70014190673828	156.0
62.87816619873047	168.0
62.94396209716797	172.0
62.9888801574707	184.0
63.126380920410156	204.0
63.25862503051758	164.0
63.30361557006836	140.0
63.41926574707031	204.0
63.682647705078125	164.0
63.91539764404297	176.0
64.02777099609375	140.0
64.0707778930664	184.0
64.12176513671875	196.0
64.51661682128906	164.0
64.59278869628906	216.0
64.91310119628906	168.0
64.97245025634766	140.0
65.07195281982422	152.0
65.12562561035156	108.0
65.18116760253906	188.0
65.21595001220703	148.0
65.46428680419922	152.0
65.49327850341797	156.0
65.56255340576172	156.0
65.65878295898438	180.0
65.75285339355469	140.0
65.82227325439453	184.0
65.9272689819336	144.0
65.94666290283203	156.0
66.0307388305664	156.0
66.10677337646484	172.0
66.33027648925781	140.0
66.42756652832031	148.0
66.4794921875	164.0
66.6662368774414	172.0
67.15791320800781	164.0
67.20195770263672	176.0
67.67594909667969	168.0
67.72671508789062	140.0
67.81027221679688	160.0
67.92176818847656	152.0
68.17625427246094	208.0
68.22885131835938	188.0
68.26338195800781	240.0
68.41474914550781	192.0
68.44109344482422	144.0
68.51685333251953	228.0
68.59430694580078	196.0
68.77410125732422	180.0
68.82362365722656	196.0
68.94090270996094	152.0
68.97891998291016	148.0
69.40771484375	140.0
69.43424987792969	140.0
69.71480560302734	188.0
69.84947967529297	160.0
70.23330688476562	180.0
70.42787170410156	164.0
70.46295166015625	264.0
70.54484558105469	140.0
70.68700408935547	160.0
70.8527603149414	140.0
70.96074676513672	164.0
71.16303253173828	224.0
71.7906723022461	224.0
71.82946014404297	156.0
72.19596862792969	160.0
72.2254409790039	140.0
72.41597747802734	168.0
72.57697296142578	156.0
72.61209106445312	152.0
72.6843490600586	264.0
72.95557403564453	108.0
73.29596710205078	156.0
73.62519836425781	184.0
73.75846862792969	140.0
74.0938720703125	148.0
74.2138442993164	140.0
74.6792221069336	148.0
75.0839614868164	148.0
75.11155700683594	140.0
75.17417907714844	204.0
75.3653335571289	204.0
75.45693969726562	176.0
75.50016784667969	156.0
75.69447326660156	168.0
75.75831604003906	136.0
76.23867797851562	184.0
76.30493927001953	136.0
76.44092559814453	132.0
76.61973571777344	156.0
76.66329956054688	240.0
76.82894134521484	196.0
76.88302612304688	172.0
76.9203872680664	136.0
76.97205352783203	196.0
76.99825286865234	140.0
77.02969360351562	188.0
77.25519561767578	164.0
77.3934555053711	152.0
77.46175384521484	188.0
77.5020523071289	152.0
77.71946716308594	152.0
77.77738189697266	144.0
77.86517333984375	176.0
77.93894958496094	156.0
78.47578430175781	176.0
78.77227020263672	140.0
79.02684783935547	240.0
79.04454040527344	308.0
79.13658142089844	168.0
79.19147491455078	144.0
79.26765441894531	164.0
79.35450744628906	156.0
79.53900146484375	160.0
79.76992797851562	148.0
79.91368865966797	124.0
80.01007843017578	180.0
80.58614349365234	208.0
80.7237777709961	208.0
81.06926727294922	148.0
81.11407470703125	180.0
81.26292419433594	240.0
81.3293228149414	212.0
81.64913177490234	216.0
81.77326965332031	184.0
81.80926513671875	264.0
81.82186889648438	140.0
82.10801696777344	144.0
82.25993347167969	140.0
82.28069305419922	144.0
82.38155364990234	148.0
82.46223449707031	168.0
82.61773681640625	152.0
82.93462371826172	180.0
82.99263763427734	236.0
83.09601593017578	140.0
83.2139892578125	152.0
83.4865493774414	168.0
83.56294250488281	196.0
83.61935424804688	192.0
83.84883117675781	192.0
84.0184097290039	220.0
84.1187744140625	208.0
84.29228210449219	176.0
84.83219909667969	228.0
84.88099670410156	136.0
84.95506286621094	180.0
84.96790313720703	192.0
85.11656951904297	140.0
85.17166900634766	208.0
85.26904296875	176.0
85.43637084960938	192.0
85.80232238769531	180.0
86.05192565917969	208.0
86.06484985351562	156.0
86.08146667480469	180.0
86.15349578857422	180.0
86.27176666259766	252.0
86.39752197265625	148.0
86.41602325439453	144.0
86.9775390625	188.0
86.99980926513672	224.0
87.30081176757812	168.0
87.33242797851562	164.0
87.37335205078125	188.0
87.73650360107422	184.0
87.8427963256836	252.0
87.88571166992188	192.0
89.01065826416016	216.0
89.13087463378906	200.0
89.6992416381836	208.0
89.85387420654297	152.0
89.96259307861328	156.0
90.0728530883789	204.0
90.12062072753906	156.0
90.16165924072266	176.0
90.30912780761719	216.0
90.32425689697266	152.0
90.60253143310547	204.0
90.92487335205078	248.0
91.05558776855469	1064.0
91.31434631347656	140.0
91.4817886352539	196.0
91.57128143310547	244.0
91.59223175048828	276.0
92.05859375	156.0
92.36720275878906	164.0
92.48392486572266	220.0
92.5815658569336	156.0
92.6773452758789	196.0
92.72908020019531	168.0
92.84986114501953	196.0
93.0686264038086	152.0
93.4173355102539	180.0
93.54007720947266	156.0
93.56273651123047	160.0
93.7341537475586	140.0
94.06310272216797	180.0
94.1064224243164	168.0
94.19674682617188	176.0
94.46781158447266	152.0
94.58470153808594	148.0
94.6615982055664	160.0
95.49974822998047	240.0
95.67974853515625	196.0
96.00611114501953	168.0
96.02171325683594	192.0
96.04228973388672	176.0
96.06657409667969	168.0
96.08103942871094	204.0
96.21098327636719	140.0
96.26370239257812	232.0
96.5157699584961	152.0
96.58919525146484	272.0
96.72679138183594	176.0
96.75446319580078	176.0
96.77320861816406	188.0
96.88763427734375	196.0
96.99541473388672	148.0
97.05030822753906	208.0
97.08952331542969	184.0
97.30536651611328	148.0
97.56272888183594	200.0
97.66984558105469	160.0
97.99458312988281	256.0
98.16127014160156	160.0
98.3644790649414	188.0
98.56501007080078	172.0
98.62718963623047	264.0
98.88233184814453	156.0
98.8981704711914	200.0
99.01498413085938	144.0
99.08628845214844	188.0
99.2071762084961	184.0
99.30632019042969	188.0
99.34797668457031	184.0
99.45909881591797	216.0
99.62590026855469	192.0
99.72540283203125	108.0
99.89097595214844	256.0
100.0306396484375	128.0
100.05921936035156	388.0
100.07642364501953	32676.0
100.13851928710938	128.0
100.28736877441406	180.0
100.76214599609375	144.0
100.79542541503906	180.0
100.91735076904297	144.0
100.9553451538086	160.0
100.9693374633789	336.0
101.02734375	184.0
101.07936096191406	1776.0
101.22749328613281	156.0
101.59226989746094	144.0
101.62035369873047	180.0
101.89340209960938	208.0
101.9588394165039	104.0
102.04457092285156	184.0
102.0843505859375	160.0
102.22113800048828	160.0
102.34392547607422	204.0
102.63705444335938	200.0
103.02909851074219	204.0
103.05467224121094	3148.0
103.2076644897461	100.0
103.30448150634766	164.0
103.3632583618164	144.0
103.5167007446289	244.0
103.60013580322266	156.0
103.73388671875	180.0
103.84495544433594	164.0
104.00772094726562	164.0
104.05240631103516	716.0
104.09298706054688	196.0
104.3978042602539	156.0
104.9537124633789	144.0
105.034912109375	496.0
105.06889343261719	444.0
105.28224182128906	144.0
105.49678039550781	216.0
105.58674621582031	180.0
105.63787841796875	144.0
106.07447052001953	388.0
106.19707489013672	148.0
106.24629974365234	168.0
106.26742553710938	108.0
107.05009460449219	116.0
107.2229995727539	160.0
107.8669662475586	148.0
107.89797973632812	152.0
107.9393310546875	212.0
108.05945587158203	152.0
108.11516571044922	192.0
108.446533203125	244.0
108.6186294555664	148.0
109.0567398071289	148.0
109.39163208007812	240.0
109.43904876708984	144.0
109.67082977294922	196.0
110.06559753417969	224.0
110.10064697265625	168.0
110.20288848876953	192.0
110.28229522705078	260.0
110.3261947631836	184.0
110.9668197631836	148.0
111.10104370117188	276.0
111.18917083740234	140.0
111.26683807373047	204.0
111.3036880493164	184.0
111.55884552001953	180.0
112.0154800415039	304.0
112.07447052001953	204.0
112.11224365234375	692.0
112.35910034179688	208.0
112.405517578125	144.0
112.62718963623047	160.0
112.88079833984375	176.0
113.24179077148438	200.0
113.91294860839844	212.0
114.22754669189453	152.0
114.50212097167969	184.0
114.71092224121094	180.0
115.05363464355469	1012.0
115.1141586303711	156.0
115.16922760009766	224.0
115.2936019897461	160.0
115.33207702636719	176.0
115.46249389648438	236.0
115.54164123535156	140.0
115.66575622558594	184.0
115.90776062011719	176.0
115.9634780883789	156.0
116.0299301147461	192.0
116.0643539428711	1160.0
116.14787292480469	236.0
116.19506072998047	152.0
116.25299835205078	140.0
116.31523895263672	176.0
116.79440307617188	224.0
116.89336395263672	160.0
117.07046508789062	3048.0
117.10865020751953	160.0
117.17973327636719	168.0
117.25730895996094	164.0
117.54560089111328	152.0
117.6541976928711	172.0
117.67578887939453	152.0
118.08020782470703	652.0
118.66453552246094	148.0
118.86190795898438	160.0
118.95306396484375	164.0
119.0328598022461	180.0
119.08457946777344	360.0
119.20989990234375	304.0
119.47025299072266	160.0
119.55510711669922	164.0
119.91226959228516	148.0
120.08311462402344	212.0
120.2777099609375	160.0
120.37476348876953	156.0
120.42935943603516	212.0
120.49707794189453	216.0
120.5790023803711	132.0
120.61726379394531	176.0
120.73095703125	160.0
120.77469635009766	168.0
120.82720184326172	140.0
121.21693420410156	164.0
121.58867645263672	120.0
121.64899444580078	168.0
121.77195739746094	156.0
121.7961196899414	204.0
121.93234252929688	188.0
122.03345489501953	192.0
122.22261047363281	168.0
122.44001770019531	184.0
122.73461151123047	152.0
123.1363525390625	152.0
123.3915786743164	140.0
123.83856964111328	176.0
123.8784408569336	152.0
123.93161010742188	144.0
124.03355407714844	172.0
124.07515716552734	1692.0
124.11378479003906	144.0
124.1363754272461	180.0
124.20650482177734	164.0
124.61497497558594	196.0
124.74165344238281	188.0
124.87728118896484	144.0
124.96626281738281	160.0
125.0396957397461	156.0
125.08002471923828	168.0
125.31359100341797	176.0
125.65693664550781	172.0
125.79753112792969	156.0
125.848876953125	188.0
125.93635559082031	140.0
126.04583740234375	260.0
126.39067077636719	172.0
126.75924682617188	140.0
126.87579345703125	164.0
126.96772766113281	224.0
127.0013656616211	192.0
127.05387115478516	3240.0
127.13822937011719	200.0
127.17189025878906	180.0
127.54698944091797	204.0
127.61510467529297	160.0
127.90913391113281	188.0
127.992431640625	160.0
128.01783752441406	156.0
128.06240844726562	24780.0
128.1044464111328	196.0
128.1424560546875	132.0
128.1623992919922	140.0
128.47023010253906	184.0
128.4927978515625	140.0
128.5537109375	144.0
128.58226013183594	140.0
128.8336944580078	224.0
128.88397216796875	172.0
128.92686462402344	168.0
128.9873504638672	220.0
129.070556640625	64028.0
129.11843872070312	104.0
129.14593505859375	228.0
129.20860290527344	172.0
129.32554626464844	108.0
129.36581420898438	144.0
129.49191284179688	140.0
129.58470153808594	108.0
129.95513916015625	184.0
130.07339477539062	5704.0
130.17324829101562	156.0
130.20803833007812	148.0
130.2744598388672	148.0
130.71670532226562	196.0
130.75650024414062	160.0
130.82797241210938	180.0
130.88011169433594	168.0
130.9084014892578	160.0
130.97962951660156	368.0
130.9977264404297	144.0
131.01971435546875	240.0
131.0493621826172	216.0
131.0862579345703	23376.0
131.30328369140625	152.0
131.39077758789062	144.0
131.46981811523438	168.0
131.91519165039062	188.0
131.96092224121094	144.0
132.03179931640625	160.0
132.05654907226562	200.0
132.0878448486328	2784.0
132.2113494873047	108.0
132.56060791015625	144.0
132.63165283203125	208.0
132.71324157714844	156.0
133.11114501953125	180.0
133.18917846679688	180.0
133.46270751953125	184.0
133.51559448242188	148.0
133.98284912109375	188.0
134.04505920410156	152.0
134.24790954589844	160.0
134.4416961669922	148.0
134.52247619628906	148.0
134.5963592529297	144.0
134.71876525878906	144.0
134.9637451171875	120.0
135.7533416748047	144.0
136.13624572753906	172.0
136.22682189941406	216.0
136.8175048828125	188.0
137.22520446777344	180.0
137.24618530273438	164.0
137.3324737548828	180.0
137.44679260253906	164.0
137.62747192382812	116.0
137.6568603515625	148.0
137.69422912597656	200.0
137.75962829589844	168.0
138.03860473632812	100.0
138.42152404785156	248.0
138.6112518310547	168.0
138.880859375	180.0
139.01927185058594	144.0
139.0620880126953	216.0
139.0990753173828	164.0
139.8936004638672	188.0
139.94212341308594	224.0
140.28228759765625	164.0
140.5440673828125	188.0
140.70928955078125	180.0
140.7588653564453	140.0
141.06919860839844	936.0
141.3663787841797	164.0
141.6244354248047	160.0
141.88035583496094	160.0
142.07835388183594	740.0
142.2266845703125	216.0
142.32708740234375	136.0
142.5021514892578	144.0
142.53305053710938	148.0
143.04754638671875	180.0
143.082275390625	308.0
143.11817932128906	144.0
143.20628356933594	200.0
143.5780792236328	196.0
143.66709899902344	124.0
143.74029541015625	172.0
144.01483154296875	140.0
144.05801391601562	452.0
144.08079528808594	1432.0
144.1326141357422	112.0
144.80650329589844	188.0
145.00775146484375	260.0
145.06320190429688	1048.0
145.09010314941406	632.0
145.47547912597656	148.0
145.53549194335938	152.0
145.72044372558594	240.0
145.92596435546875	232.0
146.06227111816406	456.0
146.09637451171875	2208.0
146.50473022460938	156.0
146.87710571289062	224.0
147.0364227294922	188.0
147.06333923339844	168.0
147.07345581054688	112.0
147.0819091796875	124.0
147.10035705566406	396.0
147.416748046875	144.0
148.07962036132812	160.0
148.1112060546875	492.0
148.1813507080078	176.0
148.3461456298828	164.0
148.58380126953125	152.0
149.01596069335938	208.0
149.1119842529297	128.0
149.6629180908203	160.0
149.96929931640625	188.0
150.1259002685547	168.0
150.43576049804688	192.0
151.30606079101562	148.0
151.63674926757812	176.0
151.7225341796875	180.0
152.06544494628906	408.0
152.1066436767578	804.0
152.5572052001953	148.0
152.79083251953125	216.0
153.054931640625	132.0
153.10342407226562	140.0
153.15074157714844	272.0
153.17977905273438	180.0
153.24485778808594	212.0
153.83570861816406	180.0
154.07420349121094	204.0
154.3273468017578	180.0
154.47821044921875	184.0
155.06069946289062	2244.0
155.5164337158203	224.0
156.00079345703125	172.0
156.07769775390625	716.0
156.11019897460938	152.0
156.28431701660156	172.0
156.92440795898438	224.0
156.9742889404297	164.0
157.06536865234375	7112.0
157.35354614257812	168.0
157.81324768066406	176.0
157.98731994628906	240.0
158.06576538085938	1068.0
158.09671020507812	2072.0
158.15847778320312	144.0
158.67953491210938	148.0
159.08029174804688	2240.0
160.0387725830078	168.0
160.0786590576172	804.0
160.1100311279297	472.0
160.2377471923828	168.0
160.29409790039062	132.0
160.55030822753906	192.0
161.07940673828125	192.0
161.11436462402344	144.0
161.2913818359375	128.0
163.94737243652344	240.0
164.04421997070312	264.0
164.19210815429688	180.0
164.37322998046875	168.0
164.46510314941406	172.0
164.90185546875	160.0
165.17799377441406	164.0
165.4671630859375	144.0
165.55166625976562	208.0
165.78477478027344	180.0
165.87960815429688	152.0
166.07962036132812	212.0
166.58541870117188	164.0
166.75230407714844	200.0
167.07388305664062	1280.0
167.1097412109375	152.0
167.1438751220703	180.0
167.3156280517578	176.0
168.08016967773438	832.0
168.84152221679688	176.0
168.96214294433594	148.0
169.089599609375	140.0
169.2157745361328	180.0
169.53697204589844	192.0
169.59657287597656	156.0
169.78921508789062	148.0
169.8843994140625	152.0
170.0530548095703	176.0
170.09291076660156	252.0
170.58554077148438	148.0
171.10675048828125	500.0
171.32315063476562	172.0
171.35324096679688	236.0
171.56173706054688	220.0
171.89035034179688	148.0
172.07733154296875	960.0
172.11135864257812	1208.0
172.25164794921875	124.0
172.80157470703125	156.0
172.99415588378906	128.0
173.04563903808594	220.0
173.0816192626953	884.0
173.12074279785156	516.0
173.1818084716797	188.0
173.30755615234375	160.0
173.50936889648438	192.0
173.9317169189453	152.0
174.0919952392578	6160.0
174.12704467773438	1128.0
174.759521484375	188.0
174.83583068847656	148.0
175.09527587890625	972.0
175.13375854492188	124.0
175.1702117919922	160.0
175.2265167236328	236.0
176.10845947265625	236.0
176.18431091308594	160.0
176.34173583984375	220.0
176.99249267578125	156.0
177.13912963867188	208.0
177.28652954101562	164.0
178.30294799804688	144.0
178.590087890625	180.0
178.6193389892578	168.0
179.23699951171875	148.0
180.0078887939453	168.0
180.4621124267578	244.0
180.51025390625	148.0
180.6145477294922	176.0
180.7108612060547	168.0
180.9356689453125	160.0
181.42056274414062	144.0
182.0973358154297	664.0
182.27403259277344	176.0
182.31434631347656	168.0
182.9060516357422	140.0
183.0218048095703	192.0
183.10128784179688	328.0
183.60655212402344	176.0
183.6254425048828	164.0
183.85205078125	164.0
184.11131286621094	528.0
184.3462371826172	144.0
184.995361328125	140.0
185.09634399414062	340.0
185.1309356689453	208.0
185.3393096923828	152.0
185.54258728027344	180.0
185.71060180664062	108.0
185.80564880371094	152.0
185.84906005859375	144.0
186.09268188476562	1740.0
186.127685546875	1376.0
186.94683837890625	188.0
187.0956573486328	648.0
187.1399383544922	140.0
187.17822265625	204.0
187.51602172851562	184.0
187.69049072265625	200.0
188.0560302734375	176.0
188.1070556640625	332.0
188.1419677734375	524.0
188.16795349121094	160.0
188.8647918701172	192.0
188.95779418945312	144.0
189.1163787841797	284.0
189.33279418945312	196.0
189.9741668701172	148.0
190.11683654785156	160.0
190.3556671142578	160.0
190.3886260986328	152.0
191.13632202148438	152.0
191.41708374023438	188.0
191.53550720214844	172.0
191.89927673339844	180.0
192.2670135498047	128.0
192.53945922851562	164.0
193.04794311523438	164.0
193.20281982421875	160.0
193.41036987304688	176.0
193.85626220703125	196.0
193.95880126953125	160.0
194.10018920898438	180.0
194.2194366455078	256.0
195.0357666015625	144.0
195.3416290283203	140.0
195.46127319335938	168.0
195.66574096679688	156.0
195.87051391601562	204.0
196.11293029785156	148.0
197.10922241210938	212.0
198.0240020751953	176.0
198.1623077392578	128.0
198.32098388671875	260.0
198.5761260986328	192.0
198.845458984375	168.0
199.4212188720703	192.0
199.64332580566406	172.0
199.7980194091797	168.0
200.1074676513672	7284.0
200.16954040527344	164.0
200.22305297851562	152.0
200.25965881347656	152.0
200.69627380371094	124.0
200.79232788085938	148.0
201.11492919921875	3696.0
201.35113525390625	168.0
201.37655639648438	156.0
201.60313415527344	236.0
201.65060424804688	156.0
201.8343505859375	152.0
201.91070556640625	228.0
201.96726989746094	148.0
202.1225128173828	6120.0
202.15968322753906	31012.0
202.3734130859375	144.0
202.731689453125	168.0
202.7533721923828	112.0
203.12777709960938	652.0
203.16168212890625	4984.0
203.1968994140625	168.0
203.51173400878906	160.0
203.55499267578125	224.0
203.72189331054688	152.0
204.00038146972656	320.0
204.12548828125	144.0
204.16357421875	112.0
204.2819061279297	152.0
204.5478515625	148.0
204.57501220703125	232.0
204.65316772460938	132.0
204.97373962402344	152.0
205.0519256591797	128.0
205.48143005371094	132.0
205.666748046875	176.0
205.69529724121094	160.0
205.99427795410156	136.0
206.87014770507812	184.0
207.125	156.0
207.22239685058594	200.0
207.29469299316406	140.0
207.66958618164062	144.0
208.61427307128906	196.0
208.6551055908203	220.0
209.2327880859375	144.0
209.34507751464844	140.0
211.26734924316406	172.0
212.14468383789062	456.0
212.19407653808594	152.0
212.46669006347656	156.0
212.5769500732422	212.0
212.9833984375	156.0
213.14027404785156	204.0
213.1780548095703	140.0
213.8294677734375	184.0
214.0610809326172	100.0
214.122802734375	540.0
214.1555633544922	164.0
214.86097717285156	164.0
214.89015197753906	168.0
214.9426727294922	156.0
215.02438354492188	144.0
215.1280975341797	576.0
215.24624633789062	140.0
216.1295623779297	164.0
218.15469360351562	144.0
218.61439514160156	176.0
218.91171264648438	152.0
219.02362060546875	184.0
219.1002197265625	188.0
219.4951629638672	160.0
220.76852416992188	128.0
220.8713836669922	196.0
221.09033203125	184.0
221.61148071289062	288.0
221.86338806152344	172.0
222.59921264648438	140.0
222.9735107421875	152.0
223.4849853515625	144.0
223.51473999023438	152.0
223.77963256835938	176.0
223.91661071777344	196.0
224.04171752929688	172.0
224.7363739013672	184.0
225.11663818359375	212.0
225.6383514404297	152.0
225.8386993408203	216.0
226.970703125	164.0
227.1416473388672	144.0
227.28448486328125	248.0
227.4296875	164.0
227.52874755859375	152.0
227.59681701660156	204.0
227.93638610839844	184.0
228.07546997070312	144.0
228.13668823242188	296.0
228.1656494140625	140.0
228.52455139160156	108.0
228.568603515625	144.0
228.603759765625	140.0
228.67401123046875	172.0
228.75662231445312	216.0
228.8438720703125	96.0
228.9238739013672	288.0
228.95687866210938	100.0
229.11923217773438	172.0
229.15029907226562	256.0
229.19862365722656	116.0
229.25975036621094	244.0
229.2921905517578	232.0
229.3222198486328	144.0
229.41024780273438	128.0
229.44566345214844	160.0
229.50204467773438	96.0
229.52316284179688	204.0
229.5500946044922	212.0
229.58067321777344	116.0
229.62278747558594	240.0
229.6547393798828	236.0
229.69931030273438	420.0
229.74627685546875	224.0
229.8055877685547	256.0
229.84585571289062	204.0
229.86642456054688	172.0
229.8992156982422	212.0
229.93414306640625	360.0
229.9564208984375	256.0
229.9861602783203	312.0
230.039306640625	448.0
230.04808044433594	172.0
230.07711791992188	776.0
230.10975646972656	516.0
230.1570281982422	231280.0
230.2685089111328	160.0
230.34957885742188	124.0
230.37049865722656	320.0
230.4507598876953	676.0
230.508544921875	408.0
230.5392303466797	140.0
230.5980987548828	132.0
230.6180877685547	440.0
230.6519775390625	13396.0
230.6797637939453	280.0
230.6912384033203	328.0
230.818115234375	160.0
230.8927459716797	260.0
230.91249084472656	152.0
230.96533203125	144.0
231.01263427734375	208.0
231.0394287109375	112.0
231.1136932373047	208.0
231.12353515625	388.0
231.15853881835938	87100.0
231.27679443359375	140.0
231.3777618408203	108.0
231.41738891601562	280.0
231.4937744140625	280.0
231.53689575195312	176.0
231.57171630859375	124.0
231.7826690673828	140.0
231.90884399414062	124.0
231.93841552734375	148.0
231.96849060058594	152.0
232.0735626220703	144.0
232.09716796875	184.0
232.16043090820312	7860.0
232.2521514892578	168.0
232.39208984375	120.0
232.42982482910156	136.0
232.4523468017578	132.0
232.4939422607422	132.0
232.5604248046875	164.0
232.5873565673828	248.0
232.6180419921875	188.0
232.65574645996094	224.0
232.69309997558594	360.0
232.76161193847656	300.0
232.8112335205078	292.0
232.85096740722656	432.0
232.922119140625	284.0
232.9560089111328	300.0
232.99156188964844	348.0
233.07373046875	184.0
233.16221618652344	404.0
233.60511779785156	140.0
233.75372314453125	116.0
233.9146270751953	156.0
233.95790100097656	124.0
234.01971435546875	128.0
238.96604919433594	156.0
239.89918518066406	172.0
242.47280883789062	112.0
242.77394104003906	124.0
242.84532165527344	96.0
243.53392028808594	104.0
244.5258331298828	132.0
245.68594360351562	184.0
245.99124145507812	864.0
246.06161499023438	128.0
246.22906494140625	172.0
246.5153045654297	140.0
246.68211364746094	148.0
246.7340087890625	120.0
246.99801635742188	2120.0
247.18141174316406	29840.0
247.2325897216797	164.0
247.5490264892578	96.0
247.64614868164062	152.0
247.71340942382812	112.0
247.9893341064453	528.0
248.0531768798828	224.0
248.18386840820312	4388.0
248.40438842773438	176.0
248.99827575683594	1628.0
249.1868133544922	752.0
250.00035095214844	240.0
259.6673278808594	104.0
261.1841735839844	184.0
359.59173583984375	140.0
379.4671630859375	124.0
578.2372436523438	144.0
734.4878540039062	164.0
810.6343994140625	144.0
910.3936767578125	232.0
934.9989013671875	188.0
939.8372802734375	208.0
954.2059936523438	160.0
956.25439453125	188.0
999.6204833984375	140.0
1025.7843017578125	144.0
1078.2237548828125	164.0
1098.5718994140625	144.0
1101.2451171875	156.0
1101.5357666015625	232.0
1117.4063720703125	180.0
1121.715087890625	272.0
1142.588623046875	196.0
1147.5455322265625	160.0
1153.9324951171875	148.0
1154.8994140625	160.0
1165.5904541015625	184.0
1191.8084716796875	212.0
1196.8502197265625	148.0
1198.103759765625	164.0
1205.9840087890625	204.0
1217.609619140625	176.0
1226.2296142578125	200.0
1227.5750732421875	200.0
1251.8282470703125	160.0
1254.667724609375	164.0
1260.801513671875	184.0
1262.5406494140625	160.0
1263.346923828125	156.0
1272.37548828125	176.0
1273.1566162109375	172.0
1273.9039306640625	148.0
1277.584716796875	200.0
1279.0648193359375	216.0
1282.79736328125	156.0
1289.5068359375	152.0
1301.6136474609375	152.0
1305.990234375	188.0
1310.510986328125	176.0
1321.77490234375	156.0
1337.8218994140625	148.0
1342.8934326171875	152.0
1347.1123046875	220.0
1348.537109375	200.0
1355.7606201171875	184.0
1359.21435546875	160.0
1359.94091796875	172.0
1363.34130859375	256.0
1365.7601318359375	188.0
1374.4901123046875	176.0
1382.70751953125	260.0
1388.790283203125	176.0
1405.021484375	176.0
1407.880126953125	176.0
1410.188720703125	192.0
1413.943115234375	172.0
1421.121826171875	160.0
1424.61279296875	176.0
1430.4556884765625	160.0
1437.6610107421875	216.0
1444.4759521484375	192.0
1447.321533203125	180.0
1447.7001953125	180.0
1452.0123291015625	164.0
1452.748046875	156.0
1460.229736328125	176.0
1461.6751708984375	192.0
1461.751220703125	164.0
1465.6422119140625	184.0
1471.7900390625	160.0
1473.615478515625	140.0
1477.407470703125	172.0
1480.0555419921875	160.0
1490.81005859375	160.0
1490.9483642578125	180.0
1491.0943603515625	156.0
1496.5328369140625	232.0
1500.4775390625	152.0
1502.837646484375	192.0
1503.0999755859375	160.0
1505.160888671875	192.0
1505.6474609375	168.0
1508.9700927734375	152.0
1509.3179931640625	156.0
1509.99072265625	172.0
1514.7508544921875	140.0
1515.3519287109375	188.0
1516.9825439453125	140.0
1518.6961669921875	244.0
1519.9375	192.0
1530.56298828125	156.0
1532.712890625	176.0
1533.8740234375	212.0
1534.10791015625	148.0
1543.2109375	152.0
1552.7171630859375	180.0
1553.3211669921875	224.0
1560.2630615234375	256.0
1561.1673583984375	168.0
1562.42578125	160.0
1563.008056640625	236.0
1564.0389404296875	184.0
1569.908447265625	212.0
1570.121337890625	168.0
1573.609130859375	180.0
1577.8280029296875	168.0
1578.982421875	212.0
1581.5538330078125	204.0
1582.0762939453125	140.0
1583.1021728515625	140.0
1584.721435546875	176.0
1586.4967041015625	144.0
1588.8282470703125	156.0
1590.955078125	172.0
1591.5107421875	144.0
1592.9879150390625	176.0
1593.1070556640625	200.0
1595.63427734375	148.0
1597.288330078125	180.0
1598.266845703125	184.0
1600.766357421875	184.0
1601.1246337890625	208.0
1601.7926025390625	172.0
1607.70166015625	140.0
1609.53759765625	176.0
1611.7342529296875	188.0
1613.06884765625	164.0
1618.51708984375	184.0
1622.38818359375	136.0
1624.608154296875	212.0
1627.674072265625	176.0
1630.5499267578125	140.0
1635.8182373046875	140.0
1639.19287109375	180.0
1639.426513671875	236.0
1640.4017333984375	156.0
1646.864990234375	216.0
1649.2969970703125	180.0
1649.6041259765625	164.0
1653.875	160.0
1654.8546142578125	168.0
1657.965087890625	248.0
1660.11328125	264.0
1660.226806640625	144.0
1660.7864990234375	208.0
1662.4820556640625	144.0
1663.0177001953125	188.0
1667.0296630859375	156.0
1667.4359130859375	152.0
1667.606689453125	152.0
1670.363037109375	240.0
1670.7127685546875	156.0
1673.764892578125	248.0
1674.6036376953125	244.0
1675.77001953125	252.0
1679.6163330078125	160.0
1684.187255859375	196.0
1685.7803955078125	152.0
1686.91650390625	140.0
1690.482421875	160.0
1691.89013671875	156.0
1696.3056640625	176.0
1700.234375	152.0
1708.6484375	156.0
1713.332763671875	208.0
1714.659423828125	192.0
1716.1348876953125	156.0
1716.23388671875	228.0
1718.403076171875	172.0
1725.6131591796875	144.0
1726.994140625	164.0
1731.2646484375	212.0
1732.7886962890625	276.0
1733.105712890625	160.0
1733.45166015625	164.0
1736.0545654296875	184.0
1737.86279296875	196.0
1740.5687255859375	144.0
1741.2081298828125	196.0
1745.2218017578125	152.0
1747.41748046875	172.0
1748.05810546875	160.0
1748.4493408203125	192.0
1751.571533203125	192.0
1752.98779296875	188.0
1754.3714599609375	172.0
1755.4219970703125	156.0
1756.1558837890625	172.0
1758.5169677734375	152.0
1763.645263671875	144.0
1765.016357421875	224.0
1765.885986328125	212.0
1767.305908203125	228.0
1769.2330322265625	164.0
1771.1590576171875	176.0
1772.183349609375	152.0
1772.7677001953125	148.0
1773.0106201171875	184.0
1774.9722900390625	208.0
1779.4527587890625	232.0
1783.6875	172.0
1785.2589111328125	184.0
1785.96533203125	156.0
1790.3333740234375	144.0
1792.6163330078125	172.0
1797.9881591796875	260.0
1799.2120361328125	188.0
1801.449951171875	172.0
1803.0045166015625	220.0
1804.740478515625	160.0
1805.092529296875	244.0
1806.851806640625	168.0
1814.17724609375	216.0
1815.0675048828125	156.0
1815.3812255859375	216.0
1818.681396484375	208.0
1819.615234375	140.0
1821.9769287109375	180.0
1822.9107666015625	152.0
1825.367431640625	192.0
1826.0987548828125	180.0
1827.26416015625	272.0
1828.0980224609375	176.0
1828.6341552734375	140.0
1829.1278076171875	168.0
1829.306640625	156.0
1831.4268798828125	196.0
1831.835693359375	216.0
1842.3966064453125	156.0
1843.481689453125	148.0
1843.9945068359375	192.0
1844.8406982421875	184.0
1845.3621826171875	304.0
1845.51611328125	140.0
1847.3548583984375	160.0
1848.022216796875	148.0
1849.62939453125	124.0
1851.8829345703125	176.0
1854.393310546875	168.0
1856.4765625	144.0
1858.2520751953125	184.0
1858.5609130859375	216.0
1859.376220703125	160.0
1866.7728271484375	176.0
1867.108154296875	184.0
1868.080078125	164.0
1871.1092529296875	172.0
1871.92724609375	144.0
1874.2012939453125	144.0
1878.0115966796875	140.0
1879.1243896484375	148.0
1880.608642578125	172.0
1884.762451171875	144.0
1886.5860595703125	172.0
1887.2950439453125	228.0
1888.04736328125	148.0
1888.721923828125	176.0
1889.1890869140625	228.0
1889.794677734375	152.0
1892.0709228515625	164.0
1893.2484130859375	172.0
1894.4783935546875	176.0
1894.9808349609375	184.0
1896.9307861328125	248.0
1898.3526611328125	148.0
1899.618896484375	144.0
1902.9427490234375	148.0
1905.244140625	156.0
1906.538818359375	168.0
1909.2076416015625	208.0
1910.22021484375	212.0
1910.6776123046875	204.0
1911.130126953125	280.0
1912.6181640625	212.0
1913.1143798828125	148.0
1914.768798828125	160.0
1916.5718994140625	224.0
1917.8878173828125	200.0
1919.8233642578125	232.0
1926.6138916015625	196.0
1927.45263671875	240.0
1929.1044921875	204.0
1929.6378173828125	176.0
1932.6376953125	192.0
1932.7777099609375	184.0
1934.248046875	172.0
1934.8607177734375	192.0
1936.3756103515625	208.0
1943.0111083984375	144.0
1946.58349609375	180.0
1946.759033203125	152.0
1947.2772216796875	216.0
1948.6890869140625	188.0
1949.6492919921875	152.0
1951.240234375	288.0
1951.3720703125	140.0
1952.9813232421875	164.0
1955.2601318359375	232.0
1958.605712890625	160.0
1959.8038330078125	168.0
1966.505859375	164.0
1967.459228515625	160.0
1968.536376953125	148.0
1973.325439453125	144.0
1974.890625	144.0
1975.4390869140625	236.0
1976.208740234375	276.0
1976.4210205078125	224.0
1978.474365234375	176.0
1978.908203125	236.0
1983.470458984375	260.0
1984.6407470703125	172.0
1984.826904296875	140.0
1985.483154296875	160.0
1988.1002197265625	172.0
1988.3486328125	172.0
1988.7303466796875	172.0
1989.120849609375	220.0
1991.2340087890625	168.0
1993.2772216796875	196.0
1995.668212890625	144.0
1998.7159423828125	96.0
1999.537841796875	160.0
2000.1785888671875	188.0
2000.356689453125	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079116
PEPMASS=349.180695
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_C2_D11_BD5_01_15729.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ENALAPRILAT [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O
INCHI=InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
INCHIAUX=LZFZMUMEGBBDTC-QEJZJMRPSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079116
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079116
SCANS=1014
49.0783805847168	184.0
49.32408905029297	208.0
53.29526138305664	200.0
56.46497344970703	144.0
63.52084732055664	188.0
65.68680572509766	200.0
69.09478759765625	176.0
70.9366683959961	172.0
71.85150909423828	192.0
73.30120086669922	168.0
78.08146667480469	216.0
78.6982192993164	196.0
78.72824096679688	160.0
83.88542175292969	192.0
85.6629409790039	208.0
90.17503356933594	176.0
91.05513000488281	248.0
91.9928207397461	148.0
92.05964660644531	292.0
94.87657928466797	184.0
97.78909301757812	236.0
98.06877136230469	148.0
102.05502319335938	1536.0
103.05500030517578	180.0
105.07012939453125	276.0
106.07421875	160.0
111.052978515625	176.0
114.05142211914062	144.0
115.58033752441406	152.0
116.07088470458984	1424.0
117.07024383544922	3268.0
117.96978759765625	164.0
118.0718994140625	272.0
119.0869140625	136.0
120.3443832397461	144.0
130.865966796875	180.0
131.0869140625	144.0
134.09690856933594	1524.0
134.28041076660156	184.0
135.09910583496094	180.0
140.30137634277344	164.0
142.0833282470703	132.0
144.08143615722656	168.0
154.1273956298828	212.0
154.38198852539062	208.0
158.08615112304688	164.0
158.7299346923828	152.0
159.9915771484375	132.0
160.0264434814453	148.0
160.11219787597656	4504.0
161.11459350585938	1024.0
165.09896850585938	208.0
168.0942840576172	176.0
170.63780212402344	152.0
172.3737030029297	148.0
176.10687255859375	172.0
178.1211700439453	292.0
179.1259002685547	188.0
180.10964965820312	140.0
180.98147583007812	168.0
183.19984436035156	204.0
183.32379150390625	148.0
183.70394897460938	232.0
184.04400634765625	184.0
187.0886688232422	140.0
188.1053924560547	144.0
188.14642333984375	200.0
202.05245971679688	156.0
202.58184814453125	204.0
203.08355712890625	140.0
204.3505096435547	168.0
204.54971313476562	140.0
206.11866760253906	25992.0
206.22117614746094	144.0
206.39671325683594	124.0
207.12147521972656	3824.0
207.1597137451172	192.0
208.12411499023438	640.0
208.69049072265625	112.0
210.2563934326172	200.0
213.18128967285156	152.0
215.94512939453125	124.0
220.70909118652344	156.0
222.1157989501953	224.0
226.63536071777344	200.0
227.94692993164062	152.0
229.0417022705078	144.0
231.9105682373047	176.0
232.13552856445312	188.0
233.1382598876953	264.0
234.05996704101562	148.0
237.3324432373047	160.0
237.46124267578125	156.0
245.4492950439453	180.0
248.4141845703125	164.0
252.11373901367188	152.0
262.02935791015625	152.0
264.640869140625	148.0
272.0875244140625	152.0
273.9252014160156	132.0
276.7891845703125	144.0
278.6532287597656	176.0
282.0322570800781	144.0
289.5859375	188.0
291.62164306640625	172.0
293.91693115234375	176.0
302.3949279785156	176.0
302.77227783203125	196.0
303.1048583984375	164.0
303.1719665527344	9476.0
303.919677734375	144.0
304.1734619140625	1208.0
304.6209716796875	144.0
305.1810607910156	364.0
310.1166076660156	188.0
311.1338806152344	184.0
316.0505065917969	164.0
318.169921875	184.0
318.2125244140625	160.0
322.1906433105469	144.0
322.9484558105469	152.0
326.08203125	188.0
326.1575012207031	216.0
333.88397216796875	212.0
345.3972473144531	160.0
346.10040283203125	148.0
347.12457275390625	100.0
347.1636047363281	152.0
347.2343444824219	140.0
348.0284729003906	248.0
348.1202087402344	124.0
348.1739501953125	152.0
348.2524108886719	120.0
348.57403564453125	128.0
348.9056396484375	128.0
348.97271728515625	172.0
349.0130920410156	328.0
349.05926513671875	136.0
349.1775207519531	42688.0
349.2647399902344	272.0
349.3242492675781	136.0
349.85308837890625	160.0
350.0205993652344	244.0
350.0966796875	120.0
350.1789855957031	6520.0
350.3417663574219	172.0
350.4851379394531	116.0
351.180908203125	1220.0
351.865234375	112.0
352.1223449707031	132.0
352.19464111328125	208.0
352.25274658203125	100.0
352.28094482421875	132.0
352.4463195800781	172.0
352.6119079589844	128.0
353.06427001953125	100.0
397.3316345214844	180.0
527.5177001953125	140.0
702.8353881835938	156.0
1056.1456298828125	140.0
1362.97607421875	148.0
1559.094482421875	156.0
1601.557373046875	180.0
1724.566162109375	260.0
1749.967041015625	140.0
1750.291748046875	144.0
1758.603271484375	156.0
1770.106689453125	176.0
1771.5472412109375	152.0
1843.4505615234375	176.0
1850.5072021484375	144.0
1895.3131103515625	140.0
1902.8328857421875	204.0
1906.78515625	152.0
1916.2352294921875	148.0
1937.263427734375	244.0
1938.04736328125	132.0
1953.49462890625	228.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079117
PEPMASS=350.132233
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Azasetron [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1C(=O)COc2c(cc(Cl)cc12)C(=O)NC3CN4CCC3CC4
INCHI=InChI=1S/C17H20ClN3O3/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23)
INCHIAUX=WUKZPHOXUVCQOR-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079117
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079117
SCANS=1033
45.54966354370117	156.0
45.80659103393555	156.0
46.341575622558594	168.0
46.97783660888672	192.0
48.23295593261719	180.0
48.279964447021484	256.0
48.314544677734375	172.0
48.531986236572266	148.0
49.67420959472656	160.0
49.99455642700195	156.0
51.34754180908203	196.0
52.63336181640625	176.0
53.66646957397461	180.0
53.736480712890625	164.0
54.58161544799805	164.0
55.32078552246094	144.0
56.158138275146484	176.0
56.698577880859375	208.0
57.976566314697266	156.0
58.7627067565918	164.0
60.29367446899414	172.0
61.339805603027344	156.0
61.678531646728516	212.0
62.121681213378906	140.0
63.46223068237305	140.0
63.49870300292969	148.0
63.570091247558594	192.0
63.617706298828125	176.0
63.697105407714844	224.0
64.6489486694336	144.0
64.89883422851562	164.0
65.176513671875	228.0
65.58538055419922	136.0
66.95924377441406	144.0
67.4748764038086	168.0
67.49449920654297	152.0
67.92194366455078	144.0
68.41744995117188	164.0
68.49231719970703	152.0
69.01712036132812	172.0
69.257080078125	168.0
69.94117736816406	168.0
70.18607330322266	152.0
70.58013153076172	204.0
71.14307403564453	176.0
71.32215881347656	124.0
71.49772644042969	140.0
71.52128601074219	180.0
71.7520751953125	140.0
72.34335327148438	212.0
72.91497039794922	152.0
73.73301696777344	160.0
73.98959350585938	168.0
74.39588928222656	176.0
76.06519317626953	288.0
77.3638916015625	156.0
78.10616302490234	144.0
78.28392028808594	180.0
78.36670684814453	152.0
78.38080596923828	204.0
78.44072723388672	144.0
78.59651184082031	128.0
78.99874114990234	164.0
80.08507537841797	160.0
80.94229125976562	180.0
81.20572662353516	204.0
81.39595794677734	180.0
84.56681823730469	176.0
84.72245788574219	152.0
84.73711395263672	140.0
85.1773910522461	156.0
85.2490463256836	172.0
85.76251983642578	232.0
86.0964584350586	144.0
86.4625015258789	240.0
87.15550994873047	140.0
87.36241149902344	188.0
87.45545196533203	160.0
87.65925598144531	136.0
87.82250213623047	144.0
87.92325592041016	176.0
89.32098388671875	140.0
90.09764099121094	148.0
90.12031555175781	204.0
90.2034683227539	156.0
90.57813262939453	184.0
91.05921936035156	244.0
92.91532135009766	152.0
93.0343017578125	228.0
93.07618713378906	236.0
94.0700912475586	448.0
94.14575958251953	160.0
94.40422821044922	176.0
94.7487564086914	200.0
95.07086181640625	364.0
95.41637420654297	236.0
96.08057403564453	184.0
97.7242431640625	144.0
97.83445739746094	144.0
98.09358215332031	104.0
98.21279907226562	208.0
98.72431945800781	168.0
99.9999771118164	160.0
100.05571746826172	160.0
100.23896026611328	144.0
100.72176361083984	192.0
100.79967498779297	168.0
100.8856201171875	188.0
100.99559783935547	152.0
101.84745788574219	184.0
101.91777038574219	144.0
102.5154037475586	184.0
102.71096801757812	172.0
103.40399169921875	220.0
103.97754669189453	164.0
104.80668640136719	152.0
104.8602066040039	184.0
105.03555297851562	140.0
105.3396987915039	200.0
106.01692962646484	168.0
106.09687042236328	160.0
107.03169250488281	156.0
107.49342346191406	216.0
107.66889190673828	144.0
107.72673034667969	208.0
108.020263671875	212.0
108.08110809326172	1196.0
108.22445678710938	168.0
108.65624237060547	252.0
108.96558380126953	204.0
109.01337432861328	204.0
109.08540344238281	104.0
109.59809112548828	200.0
110.0971450805664	20100.0
110.24913787841797	140.0
110.65210723876953	156.0
110.73450469970703	148.0
111.09979248046875	1544.0
111.51980590820312	136.0
111.98070526123047	124.0
112.11268615722656	224.0
112.26025390625	144.0
112.70986938476562	164.0
112.81554412841797	160.0
113.14344787597656	172.0
113.25355529785156	164.0
114.05986022949219	224.0
114.82635498046875	152.0
114.95862579345703	168.0
115.49700927734375	160.0
116.03450775146484	200.0
116.54902648925781	188.0
117.2899398803711	216.0
117.4710693359375	164.0
117.96990203857422	168.0
118.28788757324219	168.0
118.42213439941406	208.0
118.46978759765625	188.0
118.51094818115234	172.0
118.90127563476562	208.0
119.00763702392578	208.0
119.42052459716797	160.0
119.65615844726562	184.0
120.11971282958984	160.0
120.49738311767578	188.0
120.82750701904297	140.0
121.2851791381836	148.0
123.09581756591797	216.0
123.84552764892578	172.0
123.86768341064453	188.0
123.91863250732422	236.0
124.16912078857422	140.0
124.87760162353516	168.0
125.01776123046875	156.0
125.1066665649414	216.0
126.0904541015625	176.0
126.19998931884766	144.0
126.99496459960938	164.0
127.7429428100586	180.0
128.10690307617188	1444.0
128.28338623046875	144.0
128.30368041992188	180.0
128.37808227539062	156.0
128.95152282714844	196.0
129.11074829101562	164.0
129.18893432617188	144.0
129.43789672851562	176.0
129.48545837402344	148.0
130.11355590820312	188.0
131.30935668945312	200.0
131.8492431640625	168.0
131.99945068359375	164.0
132.2998504638672	156.0
132.34104919433594	160.0
133.05172729492188	152.0
133.1335906982422	140.0
133.73219299316406	208.0
134.9432830810547	156.0
135.0635223388672	144.0
136.1365966796875	144.0
136.21556091308594	156.0
136.35496520996094	200.0
136.51304626464844	152.0
136.71078491210938	216.0
137.24188232421875	236.0
137.28538513183594	152.0
137.44247436523438	148.0
137.95628356933594	152.0
138.71942138671875	176.0
138.99244689941406	684.0
139.77157592773438	140.0
140.13417053222656	200.0
140.51376342773438	152.0
140.99473571777344	156.0
141.14910888671875	192.0
141.1798553466797	172.0
141.7337646484375	144.0
142.00741577148438	220.0
142.33151245117188	172.0
143.0709228515625	192.0
143.86715698242188	160.0
144.0271453857422	220.0
145.00811767578125	144.0
145.24069213867188	152.0
145.56228637695312	152.0
146.9873046875	224.0
147.07659912109375	156.0
147.69032287597656	180.0
149.0479278564453	152.0
149.42234802246094	148.0
150.3995361328125	168.0
150.42393493652344	144.0
150.758544921875	196.0
151.32603454589844	144.0
152.14242553710938	144.0
153.10435485839844	456.0
153.17031860351562	164.0
153.97129821777344	144.0
154.00527954101562	732.0
154.1053009033203	144.0
154.1300048828125	172.0
154.23873901367188	180.0
154.5429229736328	144.0
155.38778686523438	200.0
156.0028839111328	424.0
156.42906188964844	248.0
157.44383239746094	160.0
157.62120056152344	204.0
158.34666442871094	192.0
158.94580078125	144.0
159.40280151367188	192.0
160.47003173828125	180.0
160.8307647705078	144.0
161.21717834472656	212.0
161.5537567138672	168.0
161.68756103515625	164.0
161.7938690185547	232.0
162.9071502685547	168.0
163.06015014648438	308.0
163.27569580078125	224.0
164.07012939453125	144.0
164.11602783203125	160.0
164.5497589111328	140.0
165.14515686035156	172.0
165.26968383789062	108.0
165.40870666503906	200.0
166.0081787109375	200.0
167.0021209716797	216.0
167.7952423095703	140.0
167.9981231689453	132.0
168.0220947265625	560.0
168.4068145751953	184.0
168.83065795898438	140.0
169.02862548828125	224.0
169.10231018066406	180.0
169.32496643066406	176.0
170.0272674560547	224.0
170.26898193359375	340.0
170.66397094726562	152.0
171.67019653320312	184.0
172.01844787597656	184.0
172.07872009277344	168.0
172.46011352539062	144.0
173.01763916015625	168.0
174.33660888671875	140.0
174.54428100585938	216.0
174.8046875	172.0
175.53700256347656	172.0
176.28140258789062	164.0
176.7653045654297	148.0
176.9664764404297	144.0
177.07504272460938	172.0
177.76165771484375	168.0
177.9262237548828	140.0
177.96286010742188	140.0
178.0324249267578	188.0
178.08819580078125	160.0
178.1200714111328	152.0
179.11756896972656	140.0
179.80812072753906	152.0
179.9656219482422	164.0
180.2033233642578	196.0
180.4385223388672	140.0
180.55540466308594	196.0
180.82369995117188	112.0
181.01644897460938	152.0
181.19859313964844	152.0
181.8985137939453	160.0
181.9736785888672	188.0
182.03811645507812	304.0
182.2449493408203	160.0
184.47897338867188	188.0
184.57107543945312	168.0
184.89297485351562	180.0
186.6208953857422	152.0
186.71607971191406	144.0
186.88299560546875	232.0
187.30941772460938	188.0
187.5764617919922	148.0
187.6337127685547	220.0
187.95826721191406	144.0
188.0292205810547	212.0
188.056884765625	536.0
188.22303771972656	164.0
188.3131561279297	184.0
188.33773803710938	204.0
188.56178283691406	188.0
188.9473419189453	152.0
189.60723876953125	168.0
190.06202697753906	184.0
190.5539093017578	140.0
190.7078094482422	156.0
191.20835876464844	144.0
192.37152099609375	164.0
192.7001495361328	200.0
193.42469787597656	148.0
193.9676055908203	196.0
194.3142547607422	176.0
194.82229614257812	204.0
195.32823181152344	176.0
196.016845703125	720.0
196.11343383789062	160.0
196.55963134765625	260.0
197.0398712158203	140.0
197.69415283203125	192.0
197.7669219970703	152.0
198.01840209960938	580.0
198.48129272460938	188.0
199.0231170654297	152.0
199.3177490234375	184.0
199.8238525390625	160.0
200.02500915527344	332.0
200.11093139648438	184.0
200.2855224609375	176.0
200.4489288330078	228.0
200.97621154785156	148.0
201.08908081054688	156.0
201.25563049316406	216.0
201.62002563476562	156.0
202.2139434814453	164.0
202.7350311279297	168.0
202.8767547607422	156.0
202.9646453857422	152.0
203.06956481933594	160.0
203.3107147216797	140.0
203.33909606933594	184.0
203.58609008789062	160.0
204.9229736328125	176.0
206.26995849609375	156.0
206.75047302246094	140.0
206.98519897460938	176.0
207.33468627929688	140.0
207.5976104736328	140.0
207.66725158691406	156.0
207.9029541015625	208.0
207.95989990234375	164.0
208.80746459960938	148.0
209.12969970703125	180.0
209.18150329589844	212.0
209.49539184570312	180.0
209.7230224609375	164.0
210.0327606201172	764.0
210.5106201171875	188.0
210.82550048828125	144.0
211.03530883789062	264.0
212.02845764160156	140.0
212.84454345703125	164.0
213.12628173828125	160.0
213.3849639892578	156.0
213.84165954589844	196.0
214.02642822265625	196.0
215.57688903808594	212.0
216.01837158203125	156.0
216.12368774414062	168.0
216.24952697753906	168.0
216.4925079345703	156.0
216.5247344970703	148.0
217.0404815673828	156.0
217.91220092773438	144.0
218.04148864746094	196.0
218.2737274169922	140.0
218.30018615722656	260.0
218.71795654296875	144.0
219.29396057128906	100.0
221.7957763671875	140.0
222.11520385742188	176.0
223.02664184570312	1032.0
223.16004943847656	100.0
223.54615783691406	152.0
223.5956573486328	172.0
223.62838745117188	168.0
223.738525390625	152.0
223.8593292236328	336.0
223.96258544921875	132.0
224.01229858398438	53376.0
224.10800170898438	312.0
224.36917114257812	172.0
224.58030700683594	132.0
224.9500274658203	100.0
225.01531982421875	4460.0
225.47894287109375	136.0
225.6627197265625	108.0
225.78244018554688	188.0
225.8632049560547	180.0
225.91128540039062	160.0
226.0091094970703	15168.0
226.06597900390625	236.0
226.12350463867188	160.0
226.1504364013672	192.0
226.2093048095703	104.0
226.2931671142578	188.0
226.57760620117188	128.0
226.736328125	132.0
226.82737731933594	164.0
226.87799072265625	140.0
227.0125732421875	1024.0
227.09423828125	148.0
227.1223602294922	180.0
227.20521545410156	164.0
227.68666076660156	152.0
227.72523498535156	180.0
227.74855041503906	148.0
228.3256072998047	188.0
229.62518310546875	156.0
230.2151336669922	280.0
231.20065307617188	152.0
231.47914123535156	152.0
231.70025634765625	316.0
231.7699432373047	228.0
232.6009063720703	160.0
233.06051635742188	116.0
233.10202026367188	156.0
233.40902709960938	196.0
234.27975463867188	176.0
234.4135284423828	160.0
234.74884033203125	176.0
236.04457092285156	276.0
236.1811981201172	176.0
236.55145263671875	156.0
237.0397186279297	200.0
237.38479614257812	180.0
237.4921417236328	252.0
238.18275451660156	168.0
239.1112823486328	144.0
239.94737243652344	176.0
239.99537658691406	180.0
240.0693817138672	152.0
240.97537231445312	144.0
241.03598022460938	1956.0
241.1159210205078	248.0
242.04049682617188	736.0
242.11517333984375	172.0
242.5365447998047	144.0
243.0340576171875	660.0
244.03662109375	216.0
244.1292266845703	180.0
245.0817413330078	172.0
245.1845703125	140.0
245.6865692138672	184.0
245.8644256591797	172.0
245.99864196777344	164.0
247.01107788085938	184.0
248.04440307617188	180.0
248.8946075439453	204.0
249.12701416015625	188.0
249.1615753173828	168.0
249.58126831054688	180.0
249.97592163085938	140.0
250.04200744628906	144.0
250.34422302246094	176.0
250.84832763671875	140.0
251.4002685546875	164.0
251.5675506591797	140.0
251.92755126953125	148.0
252.11712646484375	164.0
252.61985778808594	144.0
253.03692626953125	236.0
253.1074981689453	200.0
253.3099365234375	156.0
253.69802856445312	172.0
254.09303283691406	352.0
254.12115478515625	108.0
254.4769744873047	180.0
255.03607177734375	152.0
255.05833435058594	168.0
255.11343383789062	204.0
255.17123413085938	120.0
255.71353149414062	164.0
255.73580932617188	148.0
256.3568420410156	248.0
257.0583801269531	144.0
259.0406188964844	168.0
259.80999755859375	164.0
259.9736328125	168.0
260.8922119140625	176.0
262.01214599609375	188.0
262.7407531738281	224.0
263.021484375	224.0
263.0602111816406	144.0
263.7217712402344	144.0
263.8290710449219	232.0
264.83917236328125	128.0
265.0832824707031	320.0
265.7560729980469	144.0
266.931884765625	172.0
267.1121520996094	188.0
268.75006103515625	148.0
269.06707763671875	280.0
269.0929260253906	132.0
269.5298156738281	152.0
270.1346435546875	204.0
270.366943359375	280.0
270.7401428222656	140.0
270.7860107421875	164.0
270.8351135253906	160.0
270.97222900390625	136.0
271.13653564453125	176.0
271.8612976074219	148.0
271.9761657714844	164.0
273.0702819824219	152.0
273.3630676269531	140.0
273.45849609375	180.0
273.72186279296875	164.0
275.0636901855469	144.0
276.448486328125	204.0
276.7298583984375	160.0
277.073486328125	224.0
278.10223388671875	148.0
279.0637512207031	260.0
279.1719970703125	144.0
279.291748046875	180.0
279.48468017578125	140.0
279.7542724609375	140.0
280.9939880371094	160.0
281.65496826171875	168.0
282.5073547363281	152.0
282.6010437011719	160.0
282.9500732421875	124.0
283.8805847167969	148.0
284.3368225097656	160.0
284.6053771972656	180.0
285.05548095703125	148.0
285.9903869628906	168.0
286.8995361328125	148.0
287.6926574707031	168.0
288.1688537597656	152.0
288.47637939453125	172.0
288.8280334472656	164.0
289.0005798339844	160.0
289.02764892578125	224.0
289.0709533691406	280.0
289.27978515625	128.0
289.8403015136719	152.0
290.0807189941406	232.0
291.08203125	156.0
291.9789123535156	220.0
292.09454345703125	144.0
292.16937255859375	160.0
292.213623046875	160.0
293.1087951660156	1004.0
293.8319091796875	140.0
293.8899230957031	236.0
295.10015869140625	124.0
295.1536865234375	164.0
295.2904968261719	160.0
295.8790283203125	176.0
296.10845947265625	188.0
297.24658203125	140.0
297.656494140625	160.0
298.6620178222656	160.0
299.0163879394531	164.0
299.72576904296875	160.0
300.20147705078125	176.0
300.4514465332031	144.0
300.79144287109375	212.0
301.4614562988281	188.0
301.6335144042969	148.0
302.10455322265625	176.0
302.1426086425781	160.0
303.09368896484375	516.0
303.3304138183594	204.0
303.7534484863281	160.0
304.088623046875	180.0
305.1055603027344	1200.0
306.05718994140625	104.0
306.1015625	400.0
307.01934814453125	152.0
307.07830810546875	232.0
307.1031494140625	572.0
307.4763488769531	268.0
307.7015075683594	120.0
308.1181640625	512.0
308.8920593261719	128.0
309.038330078125	172.0
309.0739440917969	232.0
309.11798095703125	100.0
309.8611145019531	156.0
310.11602783203125	284.0
311.3483581542969	172.0
311.38348388671875	164.0
312.7687683105469	160.0
313.071533203125	148.0
313.1173400878906	184.0
313.6564025878906	168.0
313.8961486816406	180.0
313.9243469238281	188.0
314.4383544921875	176.0
314.679443359375	140.0
315.0917663574219	128.0
315.1703796386719	144.0
315.5202941894531	216.0
315.9446716308594	252.0
316.0908203125	132.0
316.8013610839844	276.0
317.0269775390625	176.0
317.16278076171875	160.0
317.54925537109375	180.0
318.48626708984375	148.0
319.1152648925781	168.0
319.4637756347656	200.0
320.11663818359375	348.0
320.18634033203125	144.0
320.3929138183594	224.0
320.6566162109375	144.0
321.10552978515625	280.0
321.67315673828125	148.0
321.81097412109375	112.0
322.1174621582031	120.0
322.3695983886719	152.0
323.09710693359375	228.0
323.6143493652344	152.0
324.1405029296875	108.0
324.33441162109375	180.0
324.56744384765625	164.0
324.9584045410156	224.0
325.30291748046875	172.0
325.4537048339844	296.0
326.1003112792969	184.0
326.2009582519531	196.0
326.3447570800781	172.0
327.0642395019531	144.0
328.15216064453125	172.0
328.2733459472656	176.0
328.6318664550781	192.0
328.74755859375	128.0
328.93499755859375	156.0
329.59228515625	160.0
330.0910949707031	144.0
331.0862731933594	152.0
331.4032897949219	104.0
331.53546142578125	212.0
332.1098937988281	160.0
332.64532470703125	152.0
332.79779052734375	180.0
333.1015930175781	972.0
333.3390197753906	160.0
333.4080505371094	188.0
333.6297607421875	140.0
334.10137939453125	236.0
334.18621826171875	164.0
334.57928466796875	148.0
334.9252014160156	156.0
335.0960693359375	172.0
335.6431579589844	172.0
335.6832580566406	160.0
336.10107421875	192.0
336.43487548828125	156.0
336.5005798339844	184.0
336.55908203125	156.0
336.8475036621094	224.0
338.5555419921875	156.0
338.6104736328125	188.0
339.8311462402344	176.0
340.16357421875	100.0
340.3450012207031	140.0
340.5433044433594	148.0
341.1275329589844	172.0
341.524658203125	204.0
341.8501892089844	164.0
342.0140075683594	140.0
342.2459411621094	140.0
344.2370910644531	228.0
344.4808654785156	148.0
345.7638854980469	140.0
345.815673828125	140.0
345.9190673828125	108.0
346.00885009765625	112.0
346.35333251953125	192.0
346.6971130371094	152.0
346.8501892089844	120.0
347.0914306640625	96.0
347.1287841796875	116.0
347.21112060546875	124.0
347.37933349609375	144.0
347.5272521972656	96.0
347.66131591796875	164.0
347.7509765625	184.0
347.782958984375	156.0
347.81134033203125	256.0
348.11444091796875	248.0
348.1796569824219	148.0
348.2413635253906	220.0
348.33502197265625	124.0
348.4039001464844	164.0
348.48577880859375	240.0
348.5243225097656	148.0
348.59283447265625	236.0
348.6424560546875	136.0
348.8200988769531	152.0
348.898193359375	252.0
348.9448547363281	280.0
349.00836181640625	216.0
349.0418395996094	272.0
349.08154296875	188.0
349.17608642578125	232.0
349.2147521972656	308.0
349.2790832519531	284.0
349.3515319824219	264.0
349.407958984375	208.0
349.4404602050781	292.0
349.4783630371094	200.0
349.51239013671875	284.0
349.5534973144531	168.0
349.612060546875	316.0
349.7023620605469	420.0
349.7853698730469	400.0
349.853759765625	664.0
349.9051513671875	528.0
349.9360046386719	436.0
349.9671325683594	284.0
350.0244445800781	500.0
350.0773010253906	676.0
350.1298828125	278088.0
350.22686767578125	140.0
350.31536865234375	100.0
350.39276123046875	384.0
350.41839599609375	304.0
350.46844482421875	172.0
350.56494140625	344.0
350.63800048828125	116.0
350.7015075683594	480.0
350.7427062988281	6320.0
350.81011962890625	284.0
350.94793701171875	352.0
351.0237121582031	572.0
351.1312561035156	88832.0
351.2208251953125	140.0
351.28125	144.0
351.3885498046875	300.0
351.5132141113281	184.0
351.5496520996094	144.0
351.58819580078125	200.0
351.6504211425781	200.0
351.70599365234375	368.0
351.7406311035156	184.0
351.7858581542969	132.0
351.84552001953125	224.0
351.8963623046875	144.0
351.94146728515625	296.0
351.9886169433594	428.0
352.0732727050781	208.0
352.1262512207031	141180.0
352.24346923828125	164.0
352.36883544921875	200.0
352.47320556640625	180.0
352.5276794433594	180.0
352.6071472167969	104.0
352.6451416015625	356.0
352.685302734375	192.0
352.7383117675781	156.0
352.7707214355469	148.0
352.80780029296875	212.0
352.85552978515625	128.0
352.911376953125	196.0
352.9668273925781	144.0
353.0001525878906	132.0
353.0368347167969	236.0
353.0716857910156	156.0
353.12841796875	20564.0
353.2132263183594	176.0
353.26666259765625	400.0
353.3320007324219	228.0
353.3743896484375	96.0
353.4244689941406	372.0
353.4311218261719	488.0
353.4647216796875	384.0
353.4934997558594	376.0
353.519775390625	268.0
353.61138916015625	244.0
353.622314453125	280.0
353.6843566894531	204.0
353.7946472167969	112.0
353.84381103515625	124.0
353.8973693847656	268.0
353.93170166015625	100.0
353.9772033691406	136.0
354.13720703125	492.0
354.18115234375	104.0
354.24310302734375	220.0
354.2883605957031	120.0
354.35394287109375	112.0
354.54931640625	224.0
354.6106262207031	100.0
354.6600646972656	148.0
354.6899108886719	136.0
354.7517395019531	256.0
354.9150085449219	152.0
354.9727783203125	100.0
355.0941162109375	216.0
355.22772216796875	100.0
355.2978210449219	116.0
355.4202880859375	120.0
355.4891662597656	264.0
355.5306701660156	176.0
355.5860290527344	216.0
355.64306640625	108.0
355.697021484375	156.0
355.7330017089844	304.0
355.8402404785156	96.0
356.2308044433594	108.0
356.3345947265625	232.0
356.37017822265625	144.0
356.5545349121094	140.0
356.82952880859375	100.0
359.1230773925781	104.0
362.6493835449219	120.0
363.3288269042969	156.0
366.4549865722656	104.0
367.66888427734375	164.0
391.14996337890625	352.0
391.2641296386719	112.0
412.57080078125	152.0
539.1895141601562	128.0
564.0172729492188	140.0
570.3118286132812	152.0
615.3734130859375	168.0
717.2399291992188	172.0
741.5673828125	140.0
752.65966796875	256.0
955.0263061523438	152.0
1007.2453002929688	140.0
1129.51708984375	160.0
1391.4281005859375	176.0
1405.510009765625	168.0
1416.17041015625	160.0
1479.26318359375	152.0
1481.0626220703125	184.0
1500.73583984375	180.0
1511.5108642578125	212.0
1559.30029296875	260.0
1576.69384765625	156.0
1621.909912109375	228.0
1640.438232421875	148.0
1657.7747802734375	172.0
1678.487060546875	160.0
1697.5479736328125	192.0
1702.857666015625	176.0
1711.1629638671875	152.0
1730.689453125	176.0
1734.541748046875	148.0
1737.493896484375	160.0
1746.73974609375	140.0
1761.2099609375	176.0
1775.4967041015625	172.0
1776.0670166015625	144.0
1792.8062744140625	208.0
1802.7640380859375	164.0
1840.0015869140625	240.0
1851.022705078125	156.0
1861.4669189453125	212.0
1869.3065185546875	208.0
1871.820068359375	164.0
1883.3245849609375	152.0
1884.9747314453125	200.0
1920.3602294921875	168.0
1935.7850341796875	188.0
1955.0538330078125	176.0
1972.2784423828125	220.0
1975.40869140625	156.0
1986.8541259765625	184.0
1992.4560546875	152.0
1996.0467529296875	200.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079118
PEPMASS=297.189331
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=EXEMESTANE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]2CCC1=O
INCHI=InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1
INCHIAUX=BFYIZQONLCFLEV-DAELLWKTSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079118
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079118
SCANS=1561
44.952457427978516	156.0
45.08198928833008	184.0
45.353675842285156	192.0
45.40999221801758	208.0
45.52675247192383	164.0
45.992591857910156	176.0
46.84552001953125	176.0
47.16893005371094	152.0
47.315303802490234	164.0
47.981624603271484	152.0
48.00920104980469	212.0
48.27573013305664	200.0
48.33659362792969	184.0
48.4681396484375	180.0
48.77206802368164	144.0
48.886112213134766	152.0
49.15226745605469	152.0
49.21647644042969	164.0
49.803260803222656	240.0
49.90022277832031	144.0
50.61143493652344	120.0
51.43305587768555	144.0
52.051536560058594	180.0
53.49592208862305	208.0
53.90877914428711	184.0
54.43457794189453	196.0
54.856834411621094	200.0
57.136932373046875	200.0
58.03558349609375	168.0
58.173641204833984	148.0
58.520267486572266	244.0
59.07732009887695	160.0
59.328468322753906	148.0
59.583465576171875	152.0
59.712345123291016	160.0
59.75849151611328	204.0
60.35231018066406	204.0
60.595306396484375	196.0
61.59248352050781	188.0
61.68311309814453	144.0
61.77693557739258	140.0
61.967933654785156	152.0
62.0180778503418	184.0
62.712799072265625	160.0
63.015228271484375	148.0
64.0246353149414	164.0
64.47771453857422	176.0
65.54487609863281	144.0
66.33032989501953	184.0
67.05361938476562	140.0
67.55816650390625	184.0
67.97596740722656	172.0
67.9940185546875	176.0
68.5811767578125	148.0
68.73949432373047	184.0
68.7593002319336	192.0
68.97897338867188	216.0
69.38289642333984	172.0
69.76139831542969	184.0
70.29437255859375	192.0
70.51815032958984	204.0
70.71550750732422	148.0
71.4883041381836	168.0
71.71991729736328	200.0
72.28398895263672	176.0
72.63638305664062	184.0
73.03555297851562	148.0
73.0693588256836	124.0
73.10871124267578	152.0
73.21766662597656	204.0
73.3812484741211	144.0
73.51599884033203	172.0
73.77561950683594	140.0
74.79456329345703	196.0
75.41551208496094	196.0
75.82569885253906	208.0
76.39696502685547	176.0
76.69995880126953	160.0
76.8028335571289	164.0
77.02276611328125	144.0
78.2432861328125	224.0
78.48040008544922	152.0
78.99860382080078	144.0
79.23050689697266	140.0
79.4822769165039	160.0
79.75932312011719	152.0
80.20074462890625	152.0
80.41477966308594	176.0
80.48975372314453	220.0
80.52190399169922	144.0
81.82192993164062	180.0
81.838134765625	176.0
82.05974578857422	184.0
82.0777816772461	148.0
82.24014282226562	188.0
82.36111450195312	144.0
82.88032531738281	144.0
83.16685485839844	184.0
83.30122375488281	148.0
83.5138931274414	148.0
83.6885986328125	144.0
84.04949188232422	140.0
84.30696868896484	168.0
84.42945098876953	144.0
84.51709747314453	140.0
84.63623046875	212.0
85.29116821289062	148.0
85.62971496582031	196.0
85.74394226074219	172.0
85.97077178955078	180.0
86.63825225830078	160.0
86.67530822753906	140.0
87.49252319335938	208.0
87.5297622680664	168.0
87.57259368896484	140.0
88.37156677246094	188.0
88.49884033203125	176.0
88.97317504882812	148.0
89.41123962402344	212.0
90.05781555175781	148.0
91.05449676513672	996.0
92.1187744140625	148.0
92.45528411865234	160.0
93.07012176513672	2788.0
93.583984375	152.0
93.97138977050781	156.0
94.07276916503906	160.0
94.97733306884766	156.0
94.99673461914062	156.0
95.08689880371094	280.0
95.14810180664062	208.0
95.6473617553711	140.0
95.85608673095703	180.0
95.93404388427734	152.0
96.03739166259766	196.0
96.2930679321289	144.0
96.44546508789062	204.0
97.02293395996094	140.0
97.06543731689453	972.0
98.06671905517578	148.0
98.64110565185547	164.0
98.7241439819336	176.0
99.48895263671875	180.0
99.58029174804688	152.0
100.0674819946289	224.0
100.30255889892578	164.0
100.3942642211914	156.0
100.42816925048828	224.0
100.59178924560547	320.0
101.3136978149414	180.0
101.68464660644531	148.0
102.65431213378906	152.0
102.71280670166016	144.0
103.053955078125	604.0
103.45389556884766	188.0
104.67463684082031	240.0
105.03413391113281	252.0
105.07052612304688	4016.0
105.41510772705078	216.0
105.52139282226562	180.0
105.56637573242188	140.0
106.07450103759766	512.0
106.11579895019531	184.0
106.18485260009766	232.0
106.37361907958984	164.0
106.70230865478516	176.0
106.80924224853516	164.0
107.0492172241211	272.0
107.0857162475586	4048.0
108.08983612060547	464.0
108.12145233154297	240.0
108.58552551269531	148.0
109.06405639648438	860.0
109.10020446777344	160.0
109.5937271118164	164.0
110.8348617553711	156.0
111.08146667480469	572.0
112.40349578857422	160.0
112.6378402709961	176.0
115.0542221069336	584.0
115.13456726074219	164.0
115.31507110595703	164.0
115.70865631103516	192.0
116.00858306884766	152.0
116.06127166748047	132.0
117.0693130493164	1036.0
117.44066619873047	160.0
118.03455352783203	180.0
118.07103729248047	248.0
118.11024475097656	160.0
118.23356628417969	156.0
118.89237976074219	148.0
119.08572387695312	1788.0
119.38117218017578	140.0
119.49210357666016	160.0
119.55738067626953	220.0
119.80342102050781	160.0
119.88621520996094	192.0
120.0562515258789	156.0
120.08605194091797	300.0
120.28097534179688	152.0
120.30717468261719	184.0
120.32245635986328	220.0
120.72071075439453	148.0
120.81806182861328	164.0
120.8842544555664	120.0
121.0654296875	11236.0
121.10160064697266	21100.0
121.22451782226562	124.0
121.35889434814453	288.0
121.96017456054688	180.0
122.06759643554688	888.0
122.1043472290039	2812.0
122.27552032470703	140.0
122.53153228759766	292.0
122.90355682373047	148.0
123.02300262451172	132.0
123.04861450195312	144.0
123.08124542236328	800.0
123.11604309082031	656.0
123.14541625976562	172.0
123.17951965332031	160.0
123.36956787109375	140.0
123.3960952758789	232.0
123.58187866210938	200.0
124.08463287353516	156.0
124.10237121582031	164.0
124.12814331054688	212.0
124.4018783569336	144.0
124.45516204833984	164.0
124.62618255615234	164.0
125.0779037475586	164.0
125.09980773925781	292.0
126.12822723388672	168.0
126.266845703125	152.0
126.33618927001953	176.0
126.6988525390625	140.0
127.62352752685547	144.0
128.0630340576172	544.0
128.18174743652344	256.0
128.88124084472656	188.0
129.069091796875	1760.0
129.62567138671875	184.0
130.0763702392578	216.0
130.38816833496094	172.0
130.86814880371094	140.0
131.05111694335938	336.0
131.0851593017578	3988.0
131.95645141601562	168.0
132.05575561523438	332.0
132.0865478515625	784.0
132.3499755859375	168.0
133.064453125	1716.0
133.10159301757812	2144.0
133.1273193359375	220.0
133.66522216796875	144.0
134.0709228515625	320.0
134.10606384277344	340.0
134.15809631347656	228.0
135.0439910888672	532.0
135.0810546875	7476.0
135.1167449951172	1384.0
135.23451232910156	144.0
135.7418670654297	152.0
136.08143615722656	996.0
136.11782836914062	192.0
136.72450256347656	172.0
137.05935668945312	312.0
137.09423828125	1276.0
138.06358337402344	188.0
138.09703063964844	336.0
138.2413787841797	176.0
138.3911895751953	144.0
138.63479614257812	212.0
138.75901794433594	144.0
139.64430236816406	204.0
140.86289978027344	164.0
141.07041931152344	196.0
141.46826171875	180.0
142.0777587890625	896.0
142.38111877441406	156.0
143.0863037109375	1848.0
143.58534240722656	144.0
143.6759796142578	184.0
144.05494689941406	400.0
144.0919189453125	360.0
144.15213012695312	168.0
144.5911407470703	156.0
145.0655059814453	2584.0
145.10189819335938	6692.0
145.30520629882812	168.0
146.07070922851562	712.0
146.10482788085938	1188.0
147.08102416992188	5772.0
147.1165313720703	2324.0
148.0843505859375	916.0
148.12380981445312	160.0
148.51600646972656	152.0
148.65093994140625	148.0
148.96841430664062	128.0
149.01898193359375	160.0
149.09703063964844	39836.0
149.16917419433594	216.0
149.2620849609375	120.0
149.37448120117188	112.0
149.82135009765625	148.0
149.96417236328125	164.0
150.1002197265625	4136.0
150.19430541992188	164.0
150.7191925048828	140.0
151.1075897216797	808.0
152.06607055664062	144.0
152.11270141601562	268.0
152.28457641601562	164.0
152.3431396484375	128.0
153.071533203125	168.0
153.64088439941406	160.0
154.08157348632812	356.0
155.0811309814453	160.0
155.13951110839844	148.0
155.9934539794922	144.0
156.09324645996094	524.0
156.2620391845703	160.0
156.78494262695312	232.0
157.05996704101562	292.0
157.10067749023438	592.0
157.55096435546875	168.0
158.07705688476562	328.0
158.60694885253906	180.0
159.08042907714844	2704.0
159.1123809814453	368.0
159.97344970703125	152.0
160.08633422851562	344.0
161.0613555908203	332.0
161.0962677001953	2116.0
161.133056640625	1020.0
162.06259155273438	148.0
162.10093688964844	460.0
162.1386260986328	368.0
162.1735382080078	288.0
163.0738067626953	372.0
163.112548828125	4192.0
163.7003936767578	192.0
163.88888549804688	156.0
164.115478515625	892.0
164.3773651123047	112.0
165.0650177001953	220.0
165.44802856445312	116.0
166.075927734375	288.0
166.11566162109375	192.0
167.0862274169922	572.0
167.34664916992188	212.0
167.56556701660156	192.0
168.0882110595703	152.0
169.06884765625	152.0
169.10328674316406	464.0
169.17967224121094	160.0
169.8170928955078	172.0
170.0725555419922	444.0
170.1051025390625	228.0
170.48170471191406	160.0
171.03567504882812	144.0
171.08103942871094	1576.0
171.11732482910156	5236.0
171.63748168945312	112.0
172.08624267578125	692.0
172.12115478515625	392.0
172.96908569335938	148.0
173.06016540527344	172.0
173.0960693359375	3468.0
174.09967041015625	316.0
175.0752410888672	1468.0
175.1122589111328	1512.0
175.14927673339844	152.0
176.08282470703125	156.0
176.11477661132812	156.0
176.2784423828125	180.0
177.08999633789062	276.0
177.1270751953125	1212.0
178.07635498046875	152.0
178.1277313232422	124.0
178.18617248535156	144.0
178.9095458984375	160.0
179.0834197998047	180.0
180.09088134765625	184.0
180.601318359375	200.0
181.06504821777344	500.0
181.10174560546875	248.0
181.39657592773438	144.0
182.07131958007812	256.0
182.3574981689453	160.0
183.08285522460938	400.0
183.50692749023438	164.0
183.8117218017578	140.0
184.08694458007812	252.0
184.93409729003906	152.0
184.97926330566406	168.0
185.01986694335938	152.0
185.0963592529297	6264.0
185.134033203125	360.0
185.34823608398438	100.0
185.7759552001953	192.0
185.81393432617188	140.0
186.0987091064453	1164.0
186.50096130371094	176.0
186.8218231201172	208.0
187.0740203857422	316.0
187.11203002929688	1924.0
188.1178741455078	272.0
189.09182739257812	380.0
189.1276092529297	4380.0
189.76315307617188	204.0
190.07763671875	364.0
190.12669372558594	476.0
190.2542266845703	184.0
190.888916015625	172.0
191.08229064941406	368.0
191.1722412109375	152.0
193.0988006591797	308.0
193.23617553710938	220.0
194.11473083496094	168.0
195.0820770263672	516.0
195.1156768798828	488.0
196.08734130859375	380.0
196.13259887695312	172.0
196.90264892578125	164.0
197.09603881835938	1076.0
197.49237060546875	164.0
198.1011199951172	416.0
199.1116485595703	1740.0
199.30616760253906	180.0
200.11805725097656	128.0
200.38375854492188	180.0
201.09188842773438	320.0
201.12869262695312	2416.0
201.89955139160156	176.0
202.13369750976562	292.0
202.29566955566406	140.0
202.98696899414062	184.0
203.10581970214844	408.0
203.73057556152344	204.0
204.0318145751953	172.0
204.09036254882812	148.0
204.4926300048828	148.0
204.93971252441406	140.0
205.0971221923828	168.0
205.24183654785156	160.0
205.50282287597656	128.0
206.10772705078125	168.0
206.21815490722656	184.0
206.85028076171875	148.0
207.07911682128906	156.0
207.11521911621094	340.0
207.939453125	192.0
208.02418518066406	168.0
208.08697509765625	232.0
208.1347198486328	156.0
209.09768676757812	668.0
209.13372802734375	464.0
210.1058807373047	248.0
210.27352905273438	232.0
211.11109924316406	1024.0
211.7509002685547	176.0
212.09278869628906	144.0
212.12539672851562	276.0
213.08895874023438	156.0
213.12733459472656	448.0
213.16659545898438	180.0
213.6172332763672	144.0
214.1311798095703	260.0
214.17611694335938	172.0
214.72406005859375	172.0
215.10508728027344	1204.0
215.13803100585938	128.0
215.22305297851562	228.0
216.10691833496094	296.0
217.00491333007812	156.0
217.1150360107422	144.0
218.10452270507812	340.0
219.0385284423828	160.0
219.11962890625	240.0
219.93490600585938	164.0
220.02935791015625	156.0
220.125	200.0
221.09194946289062	228.0
221.13539123535156	120.0
222.10784912109375	420.0
222.13638305664062	176.0
223.11244201660156	2560.0
224.11651611328125	748.0
224.5098419189453	148.0
224.99322509765625	176.0
225.12428283691406	1340.0
226.132080078125	264.0
227.1060791015625	192.0
227.14273071289062	1116.0
227.48089599609375	144.0
227.8382568359375	140.0
228.05160522460938	156.0
228.1099090576172	152.0
228.14840698242188	136.0
228.7735137939453	140.0
229.1271514892578	196.0
229.37899780273438	148.0
230.9037628173828	192.0
231.11146545410156	156.0
232.12417602539062	140.0
235.1118621826172	432.0
235.1472930908203	248.0
235.32962036132812	144.0
236.1190948486328	232.0
237.1304473876953	2196.0
237.60214233398438	148.0
238.13267517089844	832.0
238.88009643554688	224.0
238.98117065429688	164.0
239.0947723388672	156.0
239.14364624023438	4564.0
239.68980407714844	140.0
240.081298828125	140.0
240.14859008789062	740.0
240.6058349609375	172.0
241.12109375	300.0
241.15966796875	440.0
242.20767211914062	184.0
244.0199737548828	148.0
244.12879943847656	160.0
244.69198608398438	140.0
245.1398162841797	144.0
246.6510467529297	164.0
246.7229461669922	172.0
246.81674194335938	144.0
247.04818725585938	152.0
247.14517211914062	200.0
247.91860961914062	148.0
248.12413024902344	216.0
248.17877197265625	148.0
249.12603759765625	348.0
249.5665740966797	152.0
250.1315460205078	428.0
250.85418701171875	140.0
251.10012817382812	140.0
251.14402770996094	1700.0
251.17996215820312	272.0
251.25784301757812	208.0
252.14610290527344	312.0
253.158447265625	3916.0
254.16122436523438	980.0
255.13621520996094	300.0
255.1742706298828	2116.0
256.0569152832031	152.0
256.1365661621094	500.0
256.1800842285156	472.0
257.8914489746094	180.0
258.5599060058594	164.0
259.07861328125	148.0
259.8975524902344	128.0
261.1679992675781	336.0
261.96014404296875	312.0
262.14056396484375	208.0
263.0404052734375	144.0
264.15380859375	368.0
264.197265625	144.0
265.15167236328125	216.0
266.1645812988281	168.0
267.6244812011719	164.0
267.8524475097656	172.0
269.15313720703125	288.0
269.189453125	932.0
270.1905822753906	128.0
271.1983337402344	144.0
271.493408203125	184.0
272.4386901855469	144.0
273.0072937011719	156.0
274.59796142578125	160.0
276.3884582519531	172.0
277.1532287597656	164.0
278.0655822753906	156.0
278.5865478515625	180.0
278.65814208984375	140.0
278.8150329589844	120.0
278.975341796875	160.0
279.0218811035156	148.0
279.0850524902344	268.0
279.1757507324219	47512.0
279.4599609375	128.0
279.6479187011719	140.0
279.8790283203125	108.0
280.05194091796875	188.0
280.1064758300781	148.0
280.13800048828125	152.0
280.1778564453125	7252.0
280.7166442871094	160.0
281.0209045410156	160.0
281.1805725097656	964.0
281.81524658203125	96.0
282.01678466796875	172.0
282.09661865234375	224.0
282.1694030761719	116.0
282.30743408203125	128.0
282.4981384277344	152.0
283.1059875488281	200.0
283.2030944824219	140.0
287.2568359375	176.0
288.06024169921875	240.0
288.70916748046875	176.0
290.91827392578125	152.0
291.75738525390625	204.0
292.0838317871094	144.0
292.5772399902344	140.0
294.25115966796875	196.0
295.154296875	160.0
295.2489318847656	192.0
295.67852783203125	112.0
296.0565490722656	160.0
296.1061096191406	720.0
296.1786804199219	204.0
296.4036560058594	148.0
296.44366455078125	160.0
296.4676513671875	156.0
296.506103515625	144.0
296.57562255859375	104.0
296.6481628417969	288.0
296.7303771972656	148.0
296.85614013671875	120.0
296.8802490234375	160.0
296.93017578125	148.0
297.08404541015625	360.0
297.1116943359375	228.0
297.1866149902344	108396.0
297.30084228515625	168.0
297.48468017578125	152.0
297.6761169433594	136.0
297.75146484375	984.0
297.81463623046875	132.0
297.8562927246094	96.0
297.8802795410156	248.0
297.9590148925781	112.0
298.03717041015625	116.0
298.1211853027344	128.0
298.14501953125	260.0
298.1889953613281	26016.0
298.2646484375	184.0
298.30010986328125	152.0
298.4145202636719	132.0
298.52392578125	140.0
298.599853515625	148.0
298.7451477050781	100.0
298.81024169921875	196.0
299.190673828125	2756.0
299.4384765625	136.0
299.80926513671875	136.0
299.9309997558594	124.0
300.0136413574219	100.0
300.1275939941406	176.0
300.190673828125	172.0
300.237548828125	156.0
300.8035583496094	96.0
300.925537109375	144.0
301.39288330078125	164.0
302.66668701171875	112.0
303.007568359375	144.0
318.15008544921875	108.0
318.7201843261719	156.0
329.0824279785156	156.0
338.2217712402344	156.0
352.128173828125	144.0
353.9118957519531	140.0
382.8815002441406	148.0
437.71923828125	172.0
496.2301025390625	236.0
1029.236572265625	188.0
1140.2562255859375	208.0
1149.9344482421875	192.0
1185.0579833984375	164.0
1214.5081787109375	164.0
1243.5968017578125	140.0
1314.2901611328125	180.0
1324.32421875	164.0
1352.50244140625	148.0
1360.33837890625	224.0
1384.411376953125	192.0
1404.3214111328125	160.0
1417.763671875	156.0
1427.06396484375	164.0
1439.5947265625	200.0
1453.95556640625	148.0
1463.30517578125	192.0
1472.66943359375	248.0
1488.19189453125	236.0
1518.2088623046875	208.0
1532.9244384765625	212.0
1536.222412109375	196.0
1545.112548828125	208.0
1564.0244140625	156.0
1568.40380859375	192.0
1570.035888671875	184.0
1571.5267333984375	204.0
1572.32373046875	256.0
1581.5234375	140.0
1604.2015380859375	152.0
1609.0279541015625	168.0
1609.171630859375	188.0
1619.5914306640625	152.0
1620.33642578125	164.0
1629.5386962890625	160.0
1650.583740234375	164.0
1653.8843994140625	176.0
1659.7822265625	192.0
1670.120361328125	160.0
1678.06005859375	176.0
1681.7064208984375	164.0
1689.0029296875	212.0
1693.4227294921875	156.0
1693.7421875	160.0
1699.2838134765625	160.0
1701.25341796875	160.0
1703.396728515625	172.0
1704.11962890625	212.0
1704.390869140625	196.0
1710.88818359375	168.0
1711.884521484375	168.0
1713.671875	200.0
1719.1552734375	164.0
1743.269775390625	148.0
1745.056884765625	196.0
1745.830078125	140.0
1751.3397216796875	144.0
1758.0260009765625	204.0
1759.1611328125	216.0
1765.435791015625	156.0
1771.126953125	156.0
1772.2327880859375	224.0
1781.242919921875	180.0
1783.8477783203125	168.0
1790.7137451171875	168.0
1793.2244873046875	148.0
1794.151611328125	164.0
1802.4398193359375	144.0
1802.769287109375	144.0
1804.535888671875	160.0
1805.7113037109375	148.0
1806.6502685546875	168.0
1807.1578369140625	224.0
1809.095947265625	184.0
1815.3232421875	156.0
1822.9547119140625	180.0
1824.2635498046875	176.0
1827.48681640625	180.0
1828.133544921875	140.0
1831.9393310546875	148.0
1832.620849609375	152.0
1845.072998046875	152.0
1856.778076171875	148.0
1866.3529052734375	144.0
1867.5245361328125	196.0
1867.9267578125	148.0
1869.6044921875	164.0
1871.2742919921875	192.0
1871.6617431640625	232.0
1882.975830078125	228.0
1883.1485595703125	144.0
1890.3758544921875	168.0
1892.1329345703125	188.0
1893.5357666015625	140.0
1897.0189208984375	176.0
1904.6549072265625	176.0
1922.9044189453125	192.0
1923.41943359375	192.0
1924.833740234375	140.0
1926.4931640625	184.0
1926.929931640625	200.0
1932.5867919921875	148.0
1934.2144775390625	184.0
1938.129150390625	152.0
1940.3115234375	160.0
1940.618408203125	200.0
1941.7496337890625	156.0
1955.9569091796875	152.0
1956.476318359375	188.0
1956.92529296875	164.0
1957.7265625	152.0
1968.423095703125	200.0
1974.6268310546875	140.0
1978.8388671875	144.0
1979.03369140625	164.0
1979.591552734375	196.0
1982.399658203125	164.0
1987.702392578125	228.0
1989.3798828125	180.0
1991.26220703125	240.0
1992.026123046875	164.0
1998.5960693359375	172.0
2002.3526611328125	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079119
PEPMASS=239.105865
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Felbamate [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=NC(=O)OCC(COC(=O)N)c1ccccc1
INCHI=InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)
INCHIAUX=WKGXYQFOCVYPAC-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079119
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079119
SCANS=1082
48.42110061645508	172.0
54.16185760498047	156.0
62.299034118652344	140.0
64.17290496826172	252.0
66.93315124511719	264.0
77.75472259521484	160.0
80.33101654052734	168.0
86.96842956542969	192.0
88.22953796386719	192.0
88.40535736083984	160.0
91.01427459716797	180.0
91.05448150634766	452.0
93.47246551513672	140.0
95.4902114868164	176.0
97.37232208251953	148.0
101.31582641601562	168.0
102.75529479980469	200.0
104.58111572265625	200.0
106.82994079589844	208.0
108.8575210571289	180.0
115.05429077148438	1852.0
115.08961486816406	172.0
116.057861328125	240.0
117.07089233398438	8192.0
118.07365417480469	812.0
119.08052062988281	264.0
135.0782928466797	148.0
151.97299194335938	160.0
178.0562286376953	180.0
178.0864715576172	5884.0
179.09197998046875	408.0
195.94334411621094	160.0
208.2813720703125	140.0
216.6183319091797	144.0
220.0916290283203	160.0
239.11297607421875	176.0
240.94583129882812	144.0
241.11888122558594	148.0
333.2963562011719	168.0
342.27520751953125	140.0
1396.762939453125	164.0
1519.80859375	248.0
1545.3492431640625	188.0
1601.18359375	144.0
1626.119873046875	176.0
1705.3955078125	152.0
1742.35791015625	160.0
1750.3924560546875	200.0
1799.620849609375	196.0
1895.2012939453125	152.0
1912.8309326171875	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079120
PEPMASS=316.038635
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=EFAVIRENZ [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc21)C#CC3CC3
INCHI=InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
INCHIAUX=XPOQHMRABVBWPR-ZDUSSCGKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079120
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079120
SCANS=2177
51.08259201049805	148.0
51.12385177612305	144.0
52.792293548583984	164.0
53.8824577331543	156.0
54.696346282958984	144.0
55.016231536865234	248.0
55.84009552001953	176.0
58.74742889404297	152.0
60.6031379699707	172.0
63.04905319213867	184.0
66.25263214111328	188.0
72.06765747070312	156.0
76.39706420898438	180.0
81.0981216430664	220.0
83.87452697753906	148.0
85.41632080078125	152.0
91.28031158447266	248.0
91.42678833007812	172.0
91.52957916259766	168.0
96.50033569335938	152.0
106.32655334472656	208.0
108.69147491455078	200.0
109.6563949584961	176.0
112.93390655517578	140.0
114.21928405761719	192.0
114.9030990600586	160.0
114.93936920166016	148.0
116.77959442138672	148.0
117.7408218383789	148.0
122.34832763671875	160.0
123.23492431640625	232.0
127.17440795898438	192.0
127.27318572998047	156.0
129.75277709960938	180.0
133.7275390625	160.0
139.04037475585938	176.0
139.1439666748047	172.0
141.0669708251953	168.0
143.03753662109375	168.0
145.04161071777344	156.0
145.06797790527344	144.0
146.41592407226562	140.0
149.68272399902344	156.0
151.01922607421875	756.0
152.02700805664062	172.0
154.05970764160156	192.0
162.00782775878906	140.0
162.99346923828125	180.0
163.03038024902344	156.0
164.02503967285156	528.0
165.0581512451172	204.0
166.0247802734375	116.0
166.0654754638672	896.0
167.07249450683594	2816.0
167.1589813232422	140.0
168.04818725585938	184.0
168.0810546875	10172.0
168.53074645996094	152.0
169.08615112304688	1236.0
170.05319213867188	324.0
170.08302307128906	168.0
172.0566864013672	176.0
173.0146026611328	132.0
174.014404296875	168.0
174.9915008544922	148.0
175.0166473388672	232.0
175.0428466796875	128.0
176.00396728515625	168.0
177.05630493164062	240.0
179.0455780029297	140.0
182.01657104492188	492.0
183.06797790527344	168.0
183.9901123046875	168.0
185.0174102783203	140.0
185.0470428466797	336.0
185.99293518066406	252.0
186.04513549804688	156.0
187.98793029785156	152.0
188.027099609375	1760.0
188.0564422607422	140.0
189.01255798339844	152.0
189.03677368164062	788.0
190.0255584716797	600.0
191.58551025390625	164.0
191.99945068359375	316.0
192.0265350341797	160.0
194.04368591308594	272.0
194.06150817871094	320.0
195.04722595214844	304.0
196.0559539794922	276.0
196.99191284179688	144.0
197.0642852783203	408.0
198.06063842773438	204.0
198.99465942382812	276.0
199.0367889404297	164.0
199.23899841308594	160.0
200.01353454589844	156.0
200.990234375	144.0
201.034423828125	1856.0
201.07489013671875	160.0
201.5323486328125	156.0
201.656005859375	216.0
201.82347106933594	144.0
202.00775146484375	196.0
202.0430908203125	1632.0
202.35255432128906	160.0
202.76329040527344	144.0
203.04959106445312	2852.0
203.0865020751953	192.0
204.0032196044922	276.0
204.04861450195312	820.0
205.0459747314453	660.0
205.6728973388672	144.0
205.99996948242188	176.0
206.04541015625	240.0
207.0318145751953	156.0
207.78477478027344	148.0
208.03530883789062	348.0
209.04669189453125	612.0
209.98672485351562	132.0
210.0111083984375	140.0
212.00685119628906	1172.0
212.03370666503906	316.0
212.98094177246094	148.0
213.0169677734375	320.0
213.8939666748047	156.0
214.0013427734375	336.0
214.03662109375	140.0
214.29002380371094	148.0
215.00888061523438	180.0
215.05645751953125	608.0
215.73170471191406	296.0
216.011962890625	180.0
216.03558349609375	232.0
216.06292724609375	1104.0
216.36358642578125	176.0
217.00704956054688	192.0
217.0685272216797	776.0
218.0345458984375	288.0
218.07228088378906	176.0
219.02279663085938	356.0
220.01214599609375	1888.0
220.30726623535156	152.0
221.0175018310547	140.0
221.9439239501953	160.0
222.00965881347656	660.0
222.05404663085938	2936.0
223.0579833984375	900.0
224.00839233398438	6096.0
224.05722045898438	280.0
224.9308319091797	200.0
225.0097198486328	572.0
225.04652404785156	344.0
225.1905975341797	248.0
225.86610412597656	176.0
226.0038604736328	1036.0
226.323974609375	144.0
226.38087463378906	140.0
226.59054565429688	140.0
227.00144958496094	160.0
227.0447998046875	156.0
228.02357482910156	144.0
229.02850341796875	876.0
230.00637817382812	180.0
230.03793334960938	140.0
230.96456909179688	148.0
231.02809143066406	272.0
231.97592163085938	160.0
232.01568603515625	4088.0
233.02377319335938	288.0
234.01719665527344	1088.0
234.46829223632812	148.0
235.01548767089844	440.0
235.05911254882812	1072.0
236.0704803466797	948.0
237.01773071289062	980.0
237.07672119140625	4564.0
238.01907348632812	340.0
238.0767364501953	604.0
239.01364135742188	216.0
239.08389282226562	188.0
240.01820373535156	128.0
241.41259765625	152.0
242.8402862548828	156.0
243.00607299804688	180.0
243.05123901367188	144.0
243.15985107421875	152.0
243.97988891601562	144.0
244.0147247314453	10916.0
245.0164031982422	808.0
246.01182556152344	2780.0
246.9077606201172	140.0
246.95468139648438	148.0
247.00936889648438	132.0
247.04054260253906	144.0
248.02206420898438	124.0
248.04046630859375	264.0
250.0226287841797	1752.0
250.98379516601562	144.0
251.0316619873047	268.0
252.03805541992188	2400.0
253.01531982421875	144.0
253.04193115234375	536.0
254.03799438476562	664.0
255.5734100341797	156.0
256.0142517089844	144.0
257.0180969238281	208.0
258.00885009765625	144.0
258.0388488769531	220.0
259.0180969238281	220.0
260.003662109375	232.0
263.0636291503906	228.0
264.06500244140625	136.0
269.0139465332031	152.0
270.0309143066406	1068.0
271.0315856933594	236.0
271.84722900390625	176.0
272.0460510253906	5760.0
272.2879638671875	152.0
273.0437927246094	880.0
273.8915100097656	160.0
273.988525390625	188.0
274.0424499511719	1316.0
274.9744567871094	144.0
275.0414123535156	192.0
276.02838134765625	112.0
277.0178527832031	152.0
277.70068359375	140.0
278.0190734863281	1392.0
278.989013671875	172.0
279.0293273925781	256.0
279.5111999511719	216.0
280.0163269042969	520.0
281.0191955566406	164.0
282.0157165527344	152.0
283.5686950683594	172.0
287.0346374511719	168.0
288.0526428222656	232.0
296.03515625	440.0
298.0230712890625	1232.0
299.0643615722656	300.0
300.02618408203125	232.0
300.9777526855469	156.0
314.0582275390625	156.0
316.0335693359375	2420.0
316.31610107421875	148.0
317.034423828125	440.0
317.0917663574219	208.0
317.1733093261719	148.0
318.0345458984375	488.0
319.09381103515625	160.0
319.12225341796875	240.0
319.17913818359375	292.0
319.2253723144531	152.0
1535.0858154296875	148.0
1664.2470703125	140.0
1666.423828125	152.0
1789.7899169921875	164.0
1839.360595703125	212.0
1917.6827392578125	196.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079121
PEPMASS=302.201294
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TEGASEROD MALEATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCCCN=C(N)NN=Cc1c[nH]c2ccc(OC)cc12
INCHI=InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)
INCHIAUX=IKBKZGMPCYNSLU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079121
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079121
SCANS=1176
45.007240295410156	160.0
50.300376892089844	148.0
54.45961380004883	168.0
57.49562454223633	184.0
59.26264190673828	176.0
60.48078918457031	224.0
64.211181640625	216.0
64.71935272216797	160.0
68.46263885498047	220.0
69.09481811523438	160.0
71.88528442382812	224.0
73.63047790527344	180.0
74.66217803955078	184.0
77.68629455566406	172.0
79.01992797851562	160.0
80.611328125	192.0
85.73114776611328	160.0
87.73295593261719	148.0
88.40910339355469	140.0
89.30400848388672	140.0
92.04315185546875	140.0
93.48208618164062	152.0
95.46688079833984	196.0
95.70622253417969	176.0
96.81928253173828	188.0
97.09364318847656	160.0
99.06470489501953	148.0
103.0379409790039	152.0
105.8796157836914	220.0
110.47280883789062	144.0
112.92121124267578	204.0
113.10755920410156	160.0
113.9259262084961	172.0
116.05073547363281	152.0
117.05500030517578	184.0
118.06444549560547	456.0
118.47622680664062	148.0
119.0487060546875	204.0
124.12470245361328	140.0
128.05575561523438	212.0
128.1199188232422	636.0
128.32391357421875	200.0
129.04800415039062	180.0
130.05477905273438	496.0
130.1348419189453	1332.0
130.47430419921875	224.0
131.13482666015625	152.0
132.06866455078125	356.0
133.05264282226562	308.0
136.07382202148438	144.0
139.87034606933594	140.0
141.04891967773438	288.0
142.05181884765625	2032.0
143.05650329589844	364.0
144.0666046142578	152.0
145.0693817138672	312.0
146.01881408691406	140.0
146.06163024902344	1704.0
146.9124298095703	144.0
147.03067016601562	192.0
147.06857299804688	340.0
148.0745086669922	512.0
149.39308166503906	148.0
150.9197998046875	172.0
155.12965393066406	2296.0
155.7749786376953	148.0
156.1334991455078	468.0
156.18511962890625	160.0
156.72035217285156	168.0
157.04969787597656	184.0
157.101806640625	144.0
158.04806518554688	4804.0
158.3766326904297	212.0
159.0504150390625	956.0
160.07669067382812	272.0
161.04542541503906	484.0
161.0756072998047	148.0
162.05613708496094	340.0
162.48057556152344	180.0
163.05189514160156	152.0
163.087646484375	364.0
168.0685577392578	180.0
168.88748168945312	148.0
169.0547637939453	188.0
171.051513671875	148.0
172.06617736816406	424.0
172.55674743652344	140.0
173.07135009765625	11488.0
173.20144653320312	144.0
173.2932891845703	124.0
173.47991943359375	120.0
173.7037811279297	152.0
174.07701110839844	2136.0
175.0770721435547	296.0
175.24551391601562	152.0
176.05653381347656	140.0
176.67262268066406	188.0
179.30398559570312	140.0
180.89053344726562	172.0
183.0452117919922	152.0
185.07469177246094	172.0
186.0638427734375	184.0
186.8030242919922	144.0
187.08895874023438	480.0
187.14865112304688	192.0
188.07679748535156	324.0
188.1574249267578	156.0
189.0861053466797	240.0
190.09718322753906	1672.0
190.12547302246094	172.0
191.10488891601562	240.0
194.9361114501953	156.0
196.47862243652344	184.0
198.06471252441406	232.0
200.02919006347656	144.0
200.06961059570312	912.0
201.07310485839844	240.0
201.0932159423828	344.0
202.10064697265625	156.0
202.46864318847656	156.0
203.97238159179688	156.0
204.93142700195312	176.0
213.09698486328125	156.0
213.95799255371094	164.0
214.08419799804688	304.0
214.6980743408203	176.0
215.09405517578125	1468.0
216.0970916748047	264.0
217.09329223632812	164.0
217.9604034423828	156.0
218.23245239257812	172.0
218.4383087158203	192.0
227.10311889648438	160.0
235.96395874023438	144.0
237.11489868164062	176.0
238.781982421875	224.0
241.90451049804688	140.0
242.15138244628906	252.0
244.306396484375	196.0
249.39398193359375	152.0
252.22763061523438	204.0
253.88348388671875	148.0
256.81317138671875	208.0
259.5821228027344	208.0
260.1307678222656	200.0
261.1654052734375	148.0
263.0375061035156	196.0
264.721923828125	176.0
268.00592041015625	160.0
269.7126770019531	152.0
270.1468505859375	568.0
272.4883117675781	204.0
277.7304992675781	160.0
278.5835876464844	168.0
279.4945373535156	172.0
280.4536437988281	252.0
281.0505676269531	172.0
284.18231201171875	172.0
285.1712646484375	3600.0
285.5676574707031	100.0
286.17156982421875	936.0
286.4414367675781	156.0
287.1777648925781	388.0
287.41912841796875	140.0
291.96514892578125	152.0
297.8128967285156	172.0
298.9095458984375	144.0
300.23236083984375	140.0
300.46478271484375	168.0
301.45440673828125	180.0
301.94439697265625	140.0
301.9899597167969	112.0
302.023681640625	132.0
302.0540466308594	380.0
302.1075744628906	136.0
302.1473693847656	692.0
302.198974609375	80948.0
302.29815673828125	512.0
302.3636474609375	208.0
302.4095458984375	176.0
302.47869873046875	108.0
302.5141906738281	124.0
302.71368408203125	112.0
302.7693176269531	132.0
302.80584716796875	196.0
302.868896484375	224.0
303.00335693359375	96.0
303.047119140625	184.0
303.10498046875	220.0
303.2008361816406	13436.0
303.8077697753906	128.0
304.2039489746094	776.0
304.65380859375	108.0
305.1383361816406	220.0
305.30413818359375	232.0
306.22930908203125	156.0
306.30120849609375	216.0
309.9029846191406	164.0
318.86627197265625	140.0
336.0368957519531	168.0
394.8521728515625	140.0
1418.514892578125	140.0
1533.2069091796875	184.0
1730.0511474609375	156.0
1753.5164794921875	168.0
1782.606201171875	176.0
1789.8233642578125	140.0
1917.85693359375	176.0
1940.91015625	156.0
1949.9344482421875	204.0
1955.5457763671875	248.0
1957.059814453125	156.0
1960.927001953125	144.0
1965.2303466796875	176.0
1967.6751708984375	172.0
1976.8587646484375	180.0
1984.8841552734375	192.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079122
PEPMASS=372.159668
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ISRADIPINE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CO/C(=C\1/C(C(=C(C)N=C1C)C(=O)OC(C)C)c2cccc3nonc23)/O
INCHI=InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,23H,1-5H3/b18-14+
INCHIAUX=MSKAFRMBWXTPHY-NBVRZTHBSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079122
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079122
SCANS=1910
47.77098846435547	208.0
51.39316940307617	144.0
53.47998046875	192.0
53.65040969848633	200.0
54.85838317871094	152.0
55.26896286010742	216.0
55.73157501220703	168.0
56.5135383605957	204.0
56.70454788208008	220.0
57.42321014404297	152.0
58.13274002075195	392.0
58.62849807739258	192.0
58.640689849853516	160.0
59.98341751098633	152.0
60.739559173583984	176.0
61.356929779052734	148.0
62.826419830322266	212.0
63.09331130981445	160.0
63.158145904541016	180.0
64.53375244140625	216.0
70.27277374267578	164.0
71.3597640991211	140.0
74.29632568359375	140.0
74.73615264892578	208.0
74.93070983886719	152.0
75.4640121459961	140.0
75.76862335205078	140.0
75.93675994873047	144.0
77.36210632324219	176.0
78.7159194946289	148.0
80.1794662475586	144.0
80.77045440673828	144.0
80.87065124511719	168.0
81.95352172851562	172.0
83.2922592163086	192.0
85.14246368408203	160.0
85.5101547241211	172.0
85.5929946899414	156.0
86.98699951171875	208.0
87.72550964355469	192.0
88.88508605957031	208.0
89.89557647705078	148.0
91.20426177978516	264.0
91.76012420654297	168.0
93.05730438232422	196.0
94.05256652832031	168.0
94.20124816894531	156.0
96.01996612548828	152.0
99.0448989868164	224.0
101.24573516845703	224.0
105.04978942871094	160.0
105.29267883300781	212.0
105.90625	172.0
106.06812286376953	152.0
109.3023681640625	152.0
109.39602661132812	172.0
110.02977752685547	152.0
110.32643127441406	140.0
114.48319244384766	164.0
115.052490234375	348.0
115.92729187011719	168.0
116.8505859375	144.0
119.24219512939453	144.0
119.30522918701172	188.0
121.02881622314453	148.0
121.8798599243164	164.0
122.29109191894531	152.0
122.67877197265625	176.0
122.69419860839844	156.0
123.07368469238281	180.0
124.27332305908203	164.0
125.01325988769531	320.0
125.09783172607422	148.0
125.32722473144531	152.0
126.45047760009766	160.0
127.05098724365234	164.0
127.92516326904297	168.0
128.54270935058594	160.0
128.6171875	180.0
129.05996704101562	152.0
129.0916290283203	168.0
130.06613159179688	176.0
131.0584716796875	144.0
131.87661743164062	160.0
133.26303100585938	220.0
134.05917358398438	168.0
136.07383728027344	184.0
137.68984985351562	144.0
137.82066345214844	148.0
139.48695373535156	144.0
140.05026245117188	1260.0
141.0456085205078	256.0
142.05252075195312	480.0
142.13681030273438	192.0
142.43832397460938	148.0
142.69735717773438	152.0
143.06202697753906	536.0
143.95782470703125	164.0
144.0686492919922	180.0
145.09091186523438	416.0
145.10873413085938	200.0
146.0865020751953	212.0
146.43759155273438	152.0
147.02227783203125	332.0
148.38768005371094	184.0
148.49679565429688	168.0
148.77340698242188	152.0
148.95433044433594	160.0
149.12562561035156	156.0
150.0558319091797	152.0
150.10427856445312	224.0
150.15548706054688	204.0
150.72183227539062	204.0
151.0696563720703	180.0
152.07608032226562	164.0
153.0576629638672	156.0
153.88294982910156	168.0
154.06588745117188	796.0
154.14230346679688	140.0
154.99349975585938	164.0
155.06307983398438	308.0
155.08767700195312	156.0
156.0759735107422	252.0
156.3241729736328	104.0
157.0704345703125	356.0
157.09423828125	192.0
158.9708251953125	252.0
159.04611206054688	160.0
159.06471252441406	196.0
159.15908813476562	152.0
160.2125244140625	192.0
160.48004150390625	212.0
160.91651916503906	204.0
161.00994873046875	192.0
161.07057189941406	412.0
161.0958251953125	188.0
164.0535888671875	320.0
165.03713989257812	184.0
165.58274841308594	172.0
166.05088806152344	440.0
166.42384338378906	168.0
167.061767578125	1584.0
167.5948944091797	220.0
167.88284301757812	176.0
168.044677734375	272.0
168.0680389404297	812.0
169.07447814941406	536.0
169.5399169921875	172.0
170.050048828125	332.0
170.05838012695312	156.0
170.07943725585938	456.0
171.05264282226562	216.0
171.07102966308594	176.0
171.09434509277344	320.0
172.04470825195312	204.0
172.05239868164062	148.0
172.06544494628906	196.0
172.0840301513672	460.0
172.1804962158203	184.0
173.06427001953125	408.0
173.4415740966797	260.0
174.07647705078125	176.0
174.70201110839844	192.0
176.9002227783203	188.0
177.0643768310547	164.0
177.5467071533203	152.0
177.65280151367188	156.0
178.06422424316406	288.0
178.42559814453125	148.0
179.06321716308594	556.0
179.61061096191406	228.0
180.06549072265625	112.0
180.3154754638672	148.0
181.04945373535156	188.0
181.07586669921875	2328.0
182.0810089111328	720.0
182.54861450195312	156.0
183.0921630859375	1060.0
183.53683471679688	236.0
183.69595336914062	200.0
184.05978393554688	256.0
184.0887451171875	508.0
185.0471954345703	140.0
185.07362365722656	428.0
185.36138916015625	144.0
186.07864379882812	152.0
186.58819580078125	160.0
186.90097045898438	188.0
187.15411376953125	144.0
187.49734497070312	176.0
188.07554626464844	224.0
188.59449768066406	148.0
189.0690155029297	152.0
191.06021118164062	976.0
191.9051971435547	152.0
191.93553161621094	148.0
192.0679473876953	384.0
192.93775939941406	148.0
193.066162109375	1688.0
193.72645568847656	160.0
194.08119201660156	908.0
195.08668518066406	784.0
195.9127197265625	168.0
196.09681701660156	916.0
197.0436553955078	396.0
197.0680389404297	264.0
197.0922393798828	552.0
197.67727661132812	204.0
198.070068359375	740.0
198.10543823242188	816.0
199.04925537109375	460.0
199.08656311035156	720.0
200.0813446044922	864.0
200.8125	140.0
201.086181640625	220.0
201.40805053710938	168.0
201.4871368408203	140.0
202.08665466308594	164.0
202.276123046875	220.0
202.46865844726562	148.0
202.9815673828125	164.0
203.091552734375	268.0
204.092529296875	156.0
204.29087829589844	184.0
205.06253051757812	172.0
206.06988525390625	488.0
206.10955810546875	204.0
207.07882690429688	2532.0
207.93972778320312	160.0
208.0875701904297	17648.0
209.0938262939453	5160.0
210.07012939453125	1224.0
210.10206604003906	2472.0
210.250732421875	168.0
210.58563232421875	336.0
211.05392456054688	192.0
211.083251953125	952.0
211.62088012695312	180.0
211.9568634033203	152.0
212.08216857910156	1208.0
212.11825561523438	220.0
213.06985473632812	440.0
214.07797241210938	192.0
214.42263793945312	152.0
215.0627899169922	252.0
216.0797119140625	188.0
217.0791473388672	164.0
218.07666015625	164.0
219.82894897460938	176.0
220.04737854003906	148.0
220.36044311523438	168.0
221.07223510742188	716.0
221.66232299804688	140.0
222.0788116455078	1488.0
223.08306884765625	1192.0
223.650146484375	188.0
223.76522827148438	156.0
224.0825958251953	3788.0
224.64735412597656	156.0
224.77862548828125	176.0
225.0867462158203	880.0
225.24436950683594	144.0
226.06884765625	356.0
226.0955810546875	820.0
227.04014587402344	148.0
227.0806427001953	1720.0
227.14813232421875	144.0
228.0784912109375	2724.0
229.0784149169922	612.0
230.08839416503906	432.0
230.70753479003906	148.0
231.0522918701172	164.0
231.0780029296875	264.0
232.06080627441406	184.0
233.07456970214844	152.0
233.97787475585938	168.0
234.06094360351562	172.0
235.07574462890625	308.0
236.0823516845703	7604.0
237.0863800048828	1872.0
237.4320526123047	144.0
238.0977325439453	744.0
238.51376342773438	116.0
239.0785369873047	1576.0
239.11734008789062	148.0
240.085205078125	2484.0
240.13404846191406	160.0
240.41787719726562	200.0
241.0961456298828	2220.0
242.0929412841797	3636.0
243.0944061279297	648.0
244.09176635742188	160.0
245.08786010742188	160.0
246.70452880859375	156.0
247.47413635253906	184.0
247.79046630859375	160.0
249.0648651123047	192.0
250.07403564453125	3456.0
251.0768585205078	256.0
251.14462280273438	196.0
251.45382690429688	140.0
251.76321411132812	152.0
252.075927734375	1192.0
252.11911010742188	404.0
252.28138732910156	204.0
252.87100219726562	216.0
253.0862579345703	2424.0
254.0008544921875	160.0
254.0964813232422	7040.0
255.0955352783203	1176.0
255.18856811523438	184.0
256.07867431640625	720.0
256.5543518066406	140.0
257.0845642089844	272.0
258.0639343261719	156.0
258.0970764160156	136.0
260.5257568359375	236.0
262.06011962890625	128.0
262.9761962890625	152.0
263.06988525390625	416.0
263.8548278808594	152.0
264.11676025390625	172.0
265.0601806640625	1884.0
265.22735595703125	192.0
266.0648193359375	296.0
266.09112548828125	444.0
267.0774230957031	1124.0
268.10870361328125	5132.0
269.09185791015625	1064.0
269.5928955078125	176.0
269.6310119628906	212.0
270.08599853515625	636.0
270.1109924316406	336.0
270.8360595703125	124.0
270.9562072753906	200.0
271.06988525390625	304.0
271.8349304199219	176.0
272.0909423828125	176.0
273.08331298828125	160.0
277.21331787109375	140.0
277.9892883300781	148.0
279.3082580566406	172.0
279.993896484375	152.0
280.0726623535156	6404.0
280.5836486816406	236.0
281.0745849609375	1260.0
281.1322326660156	128.0
281.58135986328125	204.0
282.0684509277344	956.0
282.09783935546875	464.0
283.0696716308594	684.0
283.19342041015625	144.0
284.1024475097656	668.0
285.0907897949219	244.0
286.1025390625	148.0
292.70703125	176.0
295.095947265625	328.0
296.0931091308594	164.0
296.1424865722656	348.0
296.4269104003906	244.0
297.08013916015625	340.0
297.5725402832031	176.0
298.08258056640625	1864.0
299.0892639160156	624.0
300.078125	132.0
301.077880859375	164.0
309.2796936035156	180.0
309.47222900390625	144.0
309.6858215332031	184.0
309.7313537597656	140.0
310.0852355957031	184.0
311.0287170410156	144.0
311.0848388671875	144.0
311.4009094238281	140.0
311.7800598144531	104.0
311.81671142578125	136.0
312.00762939453125	216.0
312.0992126464844	69808.0
312.21527099609375	104.0
312.2798767089844	100.0
312.366455078125	108.0
312.5069274902344	120.0
312.71484375	112.0
313.0406188964844	124.0
313.10162353515625	11184.0
313.30035400390625	144.0
314.1023254394531	1164.0
314.90667724609375	144.0
315.1081237792969	324.0
315.2373962402344	164.0
315.32696533203125	104.0
315.4342041015625	128.0
315.58026123046875	156.0
315.859619140625	156.0
322.1290588378906	224.0
325.11602783203125	148.0
328.0955810546875	896.0
329.04315185546875	212.0
329.0928649902344	192.0
330.1079406738281	132.0
333.0082702636719	188.0
338.8123474121094	104.0
339.0149230957031	164.0
339.0716552734375	100.0
339.1159362792969	264.0
339.2698974609375	140.0
339.6362609863281	140.0
339.76495361328125	200.0
339.8508605957031	116.0
339.977783203125	144.0
340.0387268066406	132.0
340.130615234375	56980.0
340.3292236328125	264.0
340.392822265625	144.0
340.8303527832031	164.0
341.13323974609375	7740.0
341.2074890136719	228.0
341.268310546875	160.0
341.38983154296875	128.0
341.4689636230469	108.0
341.5964050292969	96.0
342.1369934082031	1268.0
342.2163391113281	144.0
342.450439453125	112.0
342.9750671386719	104.0
343.1179504394531	132.0
343.4589538574219	232.0
345.5491027832031	140.0
351.6171569824219	140.0
356.1587219238281	168.0
356.6734924316406	168.0
358.1333923339844	156.0
370.14288330078125	328.0
371.1502990722656	260.0
372.1508483886719	636.0
373.1615905761719	128.0
418.0502624511719	148.0
498.45892333984375	144.0
1207.3070068359375	144.0
1308.6124267578125	208.0
1459.259521484375	156.0
1490.4366455078125	140.0
1508.71044921875	204.0
1740.4395751953125	180.0
1751.6585693359375	156.0
1801.08203125	144.0
1812.9012451171875	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079123
PEPMASS=230.028122
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Clc1cccc(Cl)c1NC2=NCCN2
INCHI=InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
INCHIAUX=GJSURZIOUXUGAL-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079123
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079123
SCANS=967
46.76791000366211	156.0
46.83735275268555	140.0
46.87958908081055	184.0
46.98048400878906	220.0
47.30709457397461	168.0
47.6746826171875	160.0
50.73460388183594	172.0
53.373714447021484	196.0
55.807308197021484	228.0
56.9911003112793	176.0
63.272003173828125	144.0
63.81142044067383	144.0
64.5864486694336	192.0
64.61843872070312	148.0
65.14427947998047	172.0
67.0699234008789	160.0
69.30004119873047	208.0
69.60191345214844	140.0
70.76071166992188	156.0
72.16390228271484	188.0
74.36658477783203	172.0
75.60403442382812	140.0
75.858642578125	208.0
76.0824203491211	164.0
78.255615234375	160.0
78.27851104736328	176.0
79.17560577392578	144.0
80.26671600341797	204.0
80.67378997802734	156.0
81.08726501464844	196.0
81.4946060180664	160.0
81.69596862792969	192.0
83.43207550048828	164.0
84.63074493408203	144.0
84.87810516357422	188.0
85.89698028564453	172.0
87.93990325927734	180.0
88.05565643310547	184.0
88.7386703491211	256.0
88.97693634033203	152.0
90.0238265991211	140.0
91.74666595458984	140.0
92.35389709472656	160.0
92.41702270507812	160.0
92.68317413330078	144.0
93.99069213867188	184.0
96.14860534667969	156.0
96.6019058227539	148.0
98.5699691772461	236.0
100.38829803466797	160.0
100.77752685546875	236.0
100.82948303222656	176.0
100.96942901611328	176.0
101.07545471191406	144.0
101.43193817138672	144.0
101.92765045166016	152.0
103.96722412109375	160.0
104.63799285888672	140.0
105.05169677734375	192.0
105.34361267089844	144.0
105.93684387207031	140.0
108.72246551513672	188.0
109.58956909179688	200.0
111.16828155517578	156.0
111.3614273071289	204.0
113.9874038696289	164.0
117.05706787109375	176.0
117.5183334350586	152.0
118.06700134277344	152.0
118.2790298461914	144.0
118.9184341430664	212.0
119.01395416259766	212.0
119.9036636352539	160.0
120.52995300292969	168.0
121.61618041992188	168.0
121.90387725830078	200.0
122.19851684570312	144.0
123.02054595947266	212.0
125.99290466308594	288.0
126.15505981445312	228.0
127.36509704589844	184.0
127.71798706054688	268.0
128.31700134277344	156.0
129.04397583007812	156.0
129.68687438964844	176.0
129.96807861328125	156.0
130.0406951904297	204.0
130.31092834472656	148.0
132.9649200439453	176.0
133.45362854003906	152.0
133.70205688476562	244.0
134.631103515625	152.0
134.95407104492188	156.0
136.11314392089844	164.0
136.61050415039062	212.0
138.37948608398438	176.0
138.5129852294922	160.0
138.64886474609375	152.0
140.19992065429688	152.0
141.0259552001953	232.0
142.0512237548828	144.0
144.96588134765625	228.0
145.96572875976562	156.0
149.00880432128906	160.0
149.5145721435547	164.0
151.0190887451172	636.0
151.29150390625	180.0
151.46046447753906	148.0
152.01449584960938	292.0
152.4713134765625	204.0
153.0183563232422	172.0
153.30064392089844	168.0
154.01364135742188	140.0
155.01808166503906	172.0
155.46444702148438	144.0
155.86672973632812	196.0
156.4935302734375	204.0
156.54083251953125	148.0
157.10162353515625	180.0
157.4810333251953	232.0
157.74339294433594	176.0
158.06983947753906	136.0
158.97564697265625	140.0
159.0785369873047	772.0
159.97219848632812	572.0
160.08518981933594	280.0
160.3134765625	200.0
160.98326110839844	196.0
161.09140014648438	148.0
161.9705352783203	332.0
163.939697265625	124.0
163.9806365966797	576.0
163.99855041503906	152.0
164.47544860839844	180.0
164.98634338378906	144.0
165.0207977294922	124.0
165.62608337402344	144.0
166.01441955566406	176.0
166.36972045898438	144.0
166.51864624023438	152.0
167.02755737304688	176.0
167.62484741210938	200.0
169.31690979003906	140.0
169.4412384033203	168.0
170.96022033691406	140.0
171.97227478027344	1368.0
172.96719360351562	140.0
173.9679718017578	588.0
174.1865692138672	152.0
175.11505126953125	176.0
175.61581420898438	180.0
176.0856170654297	172.0
176.69093322753906	160.0
177.02178955078125	156.0
178.51577758789062	196.0
178.8776092529297	176.0
178.96279907226562	208.0
179.20516967773438	176.0
180.90370178222656	204.0
181.0536346435547	140.0
181.9470672607422	140.0
182.95216369628906	160.0
184.8547821044922	172.0
184.90078735351562	140.0
184.96441650390625	288.0
185.9851531982422	240.0
186.25643920898438	152.0
186.68040466308594	192.0
186.92523193359375	172.0
186.9833984375	1144.0
187.4562225341797	260.0
187.93885803222656	160.0
187.98377990722656	140.0
188.564208984375	184.0
188.79110717773438	224.0
188.97879028320312	724.0
189.97433471679688	148.0
190.96592712402344	184.0
192.03456115722656	144.0
192.34359741210938	140.0
194.04734802246094	844.0
194.07818603515625	184.0
194.21961975097656	188.0
195.05543518066406	148.0
196.03868103027344	160.0
196.656982421875	160.0
197.06056213378906	244.0
197.53713989257812	168.0
197.92056274414062	152.0
198.85406494140625	176.0
200.98997497558594	176.0
203.00967407226562	188.0
203.67947387695312	188.0
204.07164001464844	180.0
205.527099609375	148.0
207.2541046142578	196.0
208.43914794921875	208.0
208.62596130371094	144.0
210.29953002929688	208.0
210.51893615722656	144.0
212.49298095703125	164.0
212.99842834472656	2312.0
213.5096435546875	144.0
214.00323486328125	284.0
214.9311981201172	152.0
214.99522399902344	2348.0
216.01507568359375	156.0
216.38673400878906	144.0
219.5041961669922	192.0
220.77989196777344	140.0
220.99583435058594	184.0
223.2947998046875	156.0
223.50303649902344	284.0
224.81414794921875	196.0
225.5996856689453	164.0
228.0005340576172	196.0
228.07566833496094	144.0
228.12677001953125	184.0
228.6802215576172	232.0
229.22988891601562	300.0
229.37600708007812	204.0
229.6448211669922	128.0
229.8826141357422	164.0
229.9061279296875	196.0
229.93751525878906	144.0
229.97579956054688	260.0
230.0263214111328	124412.0
230.0890655517578	140.0
230.1875762939453	144.0
230.28903198242188	296.0
230.35423278808594	264.0
230.3876495361328	196.0
230.52304077148438	400.0
230.6503143310547	144.0
230.75677490234375	192.0
230.8629608154297	152.0
230.92214965820312	104.0
230.98292541503906	144.0
231.02772521972656	9536.0
231.0829620361328	124.0
231.20025634765625	168.0
231.29408264160156	120.0
231.42015075683594	112.0
231.57264709472656	140.0
231.6602783203125	228.0
231.68043518066406	248.0
231.76759338378906	136.0
231.82650756835938	156.0
231.93118286132812	120.0
231.9517059326172	196.0
232.0226593017578	60376.0
232.0831756591797	128.0
232.1281280517578	160.0
232.29647827148438	176.0
232.32188415527344	224.0
232.40164184570312	132.0
232.4537811279297	256.0
232.51708984375	428.0
232.65675354003906	144.0
232.68655395507812	304.0
232.7415008544922	164.0
232.8621063232422	152.0
232.9010009765625	104.0
233.0250701904297	3312.0
234.0340576171875	208.0
234.70228576660156	168.0
240.46827697753906	96.0
241.98162841796875	148.0
242.638427734375	156.0
243.0330047607422	108.0
244.39035034179688	100.0
580.3118896484375	152.0
1329.406494140625	168.0
1516.4180908203125	168.0
1570.2568359375	168.0
1707.506591796875	192.0
1765.04296875	184.0
1945.36474609375	156.0
1949.6685791015625	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079124
PEPMASS=328.195709
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=BENACTYZINE HYDROCHLORIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCN(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2
INCHI=InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3
INCHIAUX=IVQOFBKHQCTVQV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079124
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079124
SCANS=1100
45.05125427246094	156.0
45.3831672668457	160.0
45.5133171081543	152.0
46.266998291015625	144.0
46.54300308227539	148.0
46.7896842956543	148.0
46.86458969116211	292.0
47.581268310546875	172.0
47.736534118652344	204.0
48.02712631225586	160.0
48.216278076171875	148.0
50.056400299072266	168.0
51.101009368896484	176.0
51.97832489013672	156.0
52.170780181884766	180.0
52.24843978881836	228.0
52.39384460449219	220.0
52.837059020996094	184.0
53.734920501708984	140.0
53.94960403442383	164.0
54.25556945800781	168.0
54.41107940673828	200.0
54.681549072265625	180.0
54.73307418823242	148.0
54.85093307495117	204.0
55.354736328125	204.0
55.55482482910156	184.0
56.19156265258789	204.0
56.79442596435547	196.0
56.929500579833984	216.0
57.112857818603516	244.0
57.59447479248047	128.0
57.7115592956543	160.0
58.034061431884766	164.0
58.07197189331055	144.0
58.08865737915039	148.0
58.411155700683594	192.0
58.73056411743164	148.0
59.107913970947266	156.0
59.656986236572266	168.0
59.667747497558594	156.0
59.80157470703125	164.0
61.497230529785156	172.0
62.3225212097168	172.0
62.45771789550781	160.0
62.715946197509766	208.0
63.1185188293457	180.0
63.281490325927734	152.0
63.476383209228516	168.0
66.49900817871094	244.0
68.04653930664062	184.0
68.36871337890625	200.0
68.80551147460938	144.0
68.82697296142578	224.0
68.97566223144531	140.0
69.14271545410156	184.0
69.54545593261719	160.0
69.96102142333984	160.0
71.75362396240234	140.0
71.8311996459961	140.0
71.8784408569336	188.0
73.30965423583984	176.0
73.9415283203125	144.0
74.51253509521484	164.0
74.93232727050781	144.0
75.48811340332031	212.0
77.23775482177734	144.0
77.57220458984375	192.0
77.83537292480469	160.0
78.80236053466797	168.0
79.7735366821289	152.0
80.49689483642578	172.0
80.54332733154297	168.0
80.61122131347656	176.0
80.82042694091797	204.0
80.8347396850586	244.0
82.35929870605469	204.0
82.65036010742188	164.0
82.72456359863281	200.0
82.75534057617188	164.0
83.66856384277344	140.0
84.027587890625	192.0
84.49163055419922	184.0
85.07807159423828	176.0
85.16070556640625	144.0
85.31321716308594	144.0
85.56157684326172	144.0
86.81803894042969	196.0
86.936767578125	204.0
87.10943603515625	204.0
87.3362045288086	140.0
88.84742736816406	192.0
89.0370101928711	204.0
90.68407440185547	172.0
90.8869857788086	164.0
91.71233367919922	184.0
92.30224609375	156.0
92.84033966064453	152.0
92.93624877929688	152.0
93.16279602050781	156.0
93.34538269042969	180.0
93.69568634033203	152.0
94.05435943603516	140.0
95.77814483642578	140.0
96.72125244140625	232.0
96.8759536743164	184.0
97.27598571777344	224.0
97.44880676269531	188.0
97.58245849609375	160.0
97.77719116210938	172.0
98.09707641601562	488.0
98.7834701538086	176.0
99.38970947265625	144.0
99.92143249511719	116.0
100.03960418701172	144.0
100.11273193359375	24996.0
100.19766998291016	108.0
100.33373260498047	112.0
100.486572265625	124.0
100.50396728515625	148.0
100.7095947265625	152.0
101.11540985107422	1324.0
101.79706573486328	144.0
102.0683364868164	156.0
102.1166000366211	152.0
102.41045379638672	164.0
102.72691345214844	176.0
103.05598449707031	144.0
103.12873840332031	156.0
103.17736053466797	144.0
104.71331787109375	156.0
104.82332611083984	180.0
104.95249938964844	312.0
105.00068664550781	160.0
105.03433227539062	13656.0
105.55614471435547	260.0
105.69319152832031	160.0
105.71570587158203	160.0
106.037841796875	1492.0
106.2001953125	148.0
106.48654174804688	176.0
106.50296783447266	164.0
107.03813934326172	156.0
107.1818618774414	228.0
107.99110412597656	156.0
109.22315979003906	172.0
109.85223388671875	172.0
110.37226867675781	164.0
112.59136199951172	228.0
113.42073822021484	188.0
113.56916046142578	144.0
114.2637939453125	180.0
114.32550048828125	156.0
115.06085968017578	156.0
115.10356903076172	140.0
115.17831420898438	180.0
115.53743743896484	156.0
115.864990234375	164.0
116.10781860351562	2624.0
116.69770812988281	144.0
117.10960388183594	156.0
117.48595428466797	156.0
117.59600067138672	228.0
117.86161804199219	168.0
117.99562072753906	184.0
118.07130432128906	152.0
118.12361145019531	25236.0
118.2392807006836	116.0
118.580078125	184.0
118.62852478027344	148.0
118.79039764404297	144.0
119.1265640258789	1524.0
119.20291137695312	156.0
119.2981948852539	120.0
119.73588562011719	200.0
119.9002685546875	120.0
120.00391387939453	176.0
120.12757110595703	272.0
121.61835479736328	160.0
122.0445327758789	280.0
122.58602142333984	144.0
123.93612670898438	156.0
124.011474609375	140.0
124.8929443359375	216.0
125.3849868774414	144.0
125.60348510742188	200.0
125.96733093261719	140.0
125.99190521240234	148.0
126.04776000976562	176.0
126.68091583251953	192.0
127.25054931640625	144.0
127.48639678955078	180.0
127.6235122680664	172.0
128.06008911132812	144.0
128.2042694091797	156.0
129.01231384277344	148.0
129.06204223632812	144.0
130.58595275878906	144.0
130.6018829345703	148.0
132.55841064453125	180.0
132.98727416992188	140.0
133.03173828125	288.0
136.364013671875	140.0
136.40817260742188	164.0
136.6988983154297	240.0
136.91073608398438	192.0
137.98641967773438	224.0
138.7496337890625	176.0
140.22581481933594	168.0
140.37197875976562	148.0
140.44981384277344	172.0
140.86997985839844	196.0
141.61268615722656	176.0
141.65769958496094	140.0
143.2635498046875	212.0
143.9982147216797	144.0
144.545654296875	180.0
144.61746215820312	156.0
144.97669982910156	200.0
145.18765258789062	172.0
145.4299774169922	168.0
145.7589874267578	176.0
146.85916137695312	184.0
147.3443603515625	164.0
147.38059997558594	196.0
148.0264434814453	156.0
148.2468719482422	168.0
149.05882263183594	192.0
151.71774291992188	144.0
152.0614471435547	988.0
153.069580078125	188.0
153.08876037597656	184.0
153.20205688476562	152.0
156.3814697265625	200.0
156.68527221679688	156.0
157.93089294433594	164.0
158.5944061279297	252.0
158.61798095703125	128.0
158.66709899902344	196.0
159.44271850585938	188.0
160.11190795898438	160.0
160.15220642089844	152.0
161.06251525878906	168.0
161.38876342773438	148.0
161.5657958984375	176.0
162.23435974121094	176.0
162.8077850341797	144.0
163.0338897705078	168.0
163.43310546875	252.0
163.76405334472656	164.0
165.07080078125	2196.0
166.07659912109375	844.0
166.2156982421875	192.0
166.42715454101562	136.0
166.5057830810547	148.0
167.0301055908203	176.0
167.0861358642578	19936.0
167.1543731689453	132.0
167.28317260742188	112.0
167.31703186035156	144.0
167.595458984375	132.0
168.0885772705078	2936.0
168.6338653564453	144.0
169.0933837890625	300.0
169.68223571777344	248.0
170.19595336914062	144.0
170.66624450683594	144.0
171.49147033691406	216.0
174.1576385498047	164.0
175.91131591796875	148.0
177.05606079101562	380.0
177.93385314941406	200.0
182.1559600830078	148.0
182.21302795410156	164.0
182.7716064453125	172.0
182.94386291503906	220.0
183.0807342529297	19840.0
183.4341278076172	156.0
184.08517456054688	3168.0
184.38150024414062	192.0
185.08445739746094	344.0
185.15379333496094	140.0
185.36383056640625	168.0
185.54542541503906	176.0
186.47377014160156	184.0
186.93063354492188	208.0
187.88153076171875	160.0
189.70281982421875	184.0
191.84152221679688	144.0
192.1669464111328	188.0
194.07537841796875	152.0
195.12208557128906	148.0
196.89146423339844	160.0
197.35252380371094	168.0
198.81753540039062	144.0
199.0252685546875	168.0
199.5478515625	140.0
201.62530517578125	164.0
202.00701904296875	160.0
203.04083251953125	152.0
203.09471130371094	140.0
203.4153594970703	168.0
205.21900939941406	148.0
205.41864013671875	176.0
206.54122924804688	160.0
206.7558135986328	188.0
207.04208374023438	248.0
207.9997100830078	200.0
208.63742065429688	144.0
208.6977996826172	148.0
209.05905151367188	104.0
211.08033752441406	464.0
212.9573974609375	200.0
214.68612670898438	152.0
215.4070281982422	144.0
217.11045837402344	176.0
217.30697631835938	144.0
220.33058166503906	164.0
220.584716796875	156.0
222.6132354736328	148.0
225.3665313720703	208.0
227.1417999267578	212.0
228.3702850341797	224.0
228.6199951171875	140.0
229.8856658935547	156.0
231.7604217529297	164.0
232.46389770507812	208.0
235.27320861816406	156.0
238.2959747314453	168.0
238.6709442138672	148.0
239.10757446289062	10120.0
239.1869354248047	172.0
240.11007690429688	2448.0
240.49777221679688	196.0
240.76329040527344	184.0
241.1150665283203	256.0
241.44625854492188	148.0
241.88368225097656	128.0
242.2293243408203	196.0
244.96144104003906	248.0
247.7681884765625	172.0
249.5634002685547	140.0
250.33116149902344	216.0
252.62571716308594	144.0
253.08145141601562	188.0
255.10215759277344	836.0
256.0282287597656	144.0
256.0982971191406	264.0
256.1938781738281	216.0
256.5858459472656	144.0
258.4244079589844	168.0
259.235595703125	180.0
260.6346130371094	156.0
265.03900146484375	172.0
265.9697570800781	168.0
266.15020751953125	96.0
267.1517639160156	196.0
267.39984130859375	184.0
268.3347473144531	184.0
268.670654296875	216.0
270.73309326171875	140.0
270.7854919433594	192.0
271.936279296875	220.0
273.0303039550781	144.0
273.3954772949219	204.0
274.12982177734375	152.0
275.9650573730469	196.0
276.6465759277344	156.0
277.551025390625	180.0
279.61395263671875	148.0
280.07489013671875	180.0
280.94677734375	140.0
281.0168151855469	152.0
281.90167236328125	148.0
284.4201965332031	168.0
285.65338134765625	160.0
286.4612731933594	184.0
289.8905944824219	148.0
290.2227783203125	160.0
290.8673400878906	152.0
291.0167236328125	152.0
292.91094970703125	184.0
297.2236022949219	112.0
298.8540954589844	184.0
299.5977478027344	140.0
300.7770690917969	140.0
302.52618408203125	176.0
304.0651550292969	140.0
304.48175048828125	168.0
304.721435546875	152.0
306.0744323730469	164.0
307.214111328125	156.0
308.1462097167969	152.0
308.9415283203125	172.0
309.2297668457031	116.0
309.30023193359375	148.0
309.6732482910156	224.0
309.75543212890625	156.0
310.0111999511719	252.0
310.0555725097656	200.0
310.0903015136719	144.0
310.1220703125	176.0
310.1811828613281	74204.0
310.2881164550781	216.0
310.3281555175781	140.0
310.4458923339844	108.0
310.8935852050781	104.0
310.9182434082031	152.0
310.982666015625	212.0
311.1838684082031	13016.0
311.2997741699219	96.0
311.8417663574219	164.0
312.1865234375	1452.0
312.87689208984375	164.0
312.98223876953125	140.0
313.01422119140625	172.0
313.1932067871094	316.0
313.3457946777344	104.0
313.80853271484375	124.0
313.93280029296875	212.0
316.02899169921875	164.0
316.54931640625	160.0
317.5841369628906	152.0
317.9460144042969	268.0
318.1802978515625	164.0
318.4111022949219	176.0
318.6313171386719	224.0
321.09454345703125	160.0
321.2229309082031	148.0
322.6549377441406	232.0
322.80511474609375	156.0
323.9324951171875	152.0
324.35174560546875	140.0
325.4433898925781	136.0
325.57159423828125	140.0
325.628173828125	132.0
325.9219665527344	112.0
326.0657043457031	236.0
326.1837463378906	96.0
326.2355041503906	124.0
326.3212890625	144.0
326.4376525878906	176.0
326.5443420410156	132.0
326.6868591308594	304.0
326.7312316894531	160.0
326.7685546875	140.0
326.81158447265625	104.0
326.8641662597656	124.0
326.9268798828125	156.0
327.0408935546875	112.0
327.1090393066406	196.0
327.17510986328125	176.0
327.226806640625	216.0
327.28204345703125	156.0
327.4250793457031	132.0
327.6175231933594	260.0
327.689208984375	140.0
327.7585144042969	184.0
327.94915771484375	224.0
328.0068359375	172.0
328.0514831542969	252.0
328.089599609375	236.0
328.1491394042969	656.0
328.1930847167969	214464.0
328.2982177734375	248.0
328.431640625	124.0
328.5141296386719	272.0
328.5577087402344	224.0
328.6488037109375	164.0
328.71929931640625	228.0
328.78448486328125	2396.0
328.834716796875	312.0
328.87896728515625	120.0
329.0796813964844	240.0
329.13726806640625	260.0
329.1954650878906	48236.0
329.33563232421875	268.0
329.3839111328125	104.0
329.41632080078125	116.0
329.4972229003906	104.0
329.5389404296875	160.0
329.571533203125	280.0
329.6795654296875	176.0
329.7552185058594	264.0
329.8571472167969	224.0
329.95562744140625	124.0
330.0812683105469	156.0
330.19830322265625	6932.0
330.2498779296875	144.0
330.30950927734375	108.0
330.4132385253906	120.0
330.5288391113281	132.0
330.5773620605469	152.0
330.6537780761719	284.0
330.7525634765625	272.0
330.8064270019531	184.0
330.8480224609375	116.0
330.8951721191406	160.0
331.161376953125	136.0
331.20245361328125	648.0
331.3844909667969	124.0
331.50299072265625	260.0
331.5519714355469	188.0
331.5956115722656	96.0
331.6644592285156	136.0
331.7462463378906	144.0
331.91082763671875	100.0
332.0460205078125	180.0
332.3288269042969	120.0
338.9835205078125	164.0
340.2392883300781	96.0
345.7223815917969	96.0
345.8502197265625	120.0
380.94061279296875	144.0
385.02252197265625	156.0
391.3436279296875	172.0
564.7727661132812	164.0
674.6669921875	148.0
708.9104614257812	140.0
1200.7996826171875	152.0
1264.39501953125	148.0
1267.6171875	152.0
1282.8553466796875	180.0
1302.4619140625	184.0
1320.560546875	228.0
1342.6536865234375	196.0
1377.87255859375	180.0
1388.4871826171875	144.0
1401.607666015625	140.0
1423.5322265625	140.0
1438.53759765625	168.0
1478.3114013671875	164.0
1486.4339599609375	140.0
1496.44921875	168.0
1507.51025390625	200.0
1516.495361328125	160.0
1537.91552734375	148.0
1552.69482421875	160.0
1565.898193359375	236.0
1567.087646484375	168.0
1571.021728515625	188.0
1572.655029296875	152.0
1579.2445068359375	248.0
1580.8980712890625	164.0
1587.7506103515625	184.0
1592.361572265625	164.0
1593.14794921875	160.0
1609.2193603515625	144.0
1620.744873046875	180.0
1622.6845703125	164.0
1632.08642578125	224.0
1636.515625	104.0
1636.970703125	160.0
1639.0408935546875	168.0
1640.693115234375	176.0
1647.189208984375	232.0
1650.2520751953125	172.0
1670.9173583984375	164.0
1671.869384765625	176.0
1674.34423828125	208.0
1699.6611328125	236.0
1707.7550048828125	164.0
1722.4658203125	188.0
1740.5865478515625	192.0
1747.3687744140625	152.0
1748.800048828125	156.0
1759.5533447265625	140.0
1762.0086669921875	172.0
1762.4598388671875	188.0
1764.164794921875	152.0
1766.00439453125	232.0
1770.959228515625	232.0
1776.944580078125	140.0
1777.92626953125	204.0
1794.1346435546875	176.0
1795.6524658203125	196.0
1795.9644775390625	144.0
1805.102294921875	172.0
1813.169921875	184.0
1813.5936279296875	264.0
1814.178466796875	168.0
1815.212890625	160.0
1828.499267578125	144.0
1834.62353515625	164.0
1834.742919921875	228.0
1853.80322265625	140.0
1860.2701416015625	160.0
1865.561767578125	232.0
1872.9017333984375	184.0
1876.1676025390625	168.0
1877.875	184.0
1884.478759765625	164.0
1895.6060791015625	228.0
1896.722412109375	192.0
1896.9666748046875	184.0
1902.3624267578125	172.0
1905.0023193359375	172.0
1907.6527099609375	148.0
1907.8265380859375	152.0
1909.600341796875	204.0
1909.696044921875	188.0
1910.974853515625	144.0
1911.087890625	192.0
1914.1343994140625	160.0
1915.0836181640625	164.0
1917.802001953125	220.0
1921.3424072265625	160.0
1928.6337890625	152.0
1928.80859375	168.0
1932.9541015625	152.0
1935.2210693359375	176.0
1935.326171875	140.0
1943.907470703125	164.0
1949.756103515625	176.0
1950.749267578125	188.0
1953.9591064453125	160.0
1958.28125	208.0
1964.671875	152.0
1965.3953857421875	188.0
1971.090576171875	220.0
1972.504638671875	160.0
1976.068603515625	152.0
1988.1903076171875	188.0
2000.945556640625	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079125
PEPMASS=414.142059
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=GR 89696 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc3ccc(Cl)c(Cl)c3
INCHI=InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3
INCHIAUX=HJUAKZYKCANOOZ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079125
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079125
SCANS=1132
45.19444274902344	100.0
45.49991989135742	140.0
46.0871467590332	172.0
46.31306838989258	192.0
46.338809967041016	172.0
47.138885498046875	140.0
47.501705169677734	156.0
47.9017219543457	168.0
48.25165557861328	128.0
48.281288146972656	212.0
48.32831954956055	180.0
48.56382369995117	184.0
48.90386962890625	232.0
49.61945343017578	140.0
49.72746658325195	152.0
50.57597351074219	176.0
50.818302154541016	172.0
50.90205001831055	148.0
50.9474983215332	164.0
51.52876281738281	192.0
51.713233947753906	140.0
52.04438400268555	164.0
52.218265533447266	152.0
52.51063537597656	140.0
52.81394577026367	236.0
52.86602783203125	144.0
53.96718215942383	160.0
53.99789047241211	172.0
54.3538703918457	144.0
55.23103713989258	232.0
55.3044319152832	172.0
55.95611572265625	168.0
56.316993713378906	144.0
56.87849044799805	148.0
57.09033203125	224.0
57.78268051147461	212.0
58.06525421142578	120.0
58.8313102722168	176.0
59.45120620727539	148.0
59.47269058227539	208.0
59.612449645996094	156.0
60.624778747558594	176.0
61.087467193603516	192.0
61.63130569458008	164.0
61.8098258972168	240.0
62.137290954589844	212.0
62.164546966552734	232.0
62.51597213745117	160.0
62.569488525390625	144.0
65.97422790527344	152.0
66.04052734375	168.0
66.60946655273438	148.0
67.28528594970703	144.0
68.18620300292969	140.0
68.3835678100586	172.0
69.50069427490234	176.0
69.5272445678711	176.0
70.01874542236328	180.0
70.53657531738281	140.0
70.9567642211914	172.0
72.01522827148438	144.0
72.69750213623047	144.0
72.80445098876953	168.0
72.84521484375	160.0
73.30799102783203	220.0
73.40686798095703	232.0
73.58090209960938	200.0
73.70558166503906	160.0
75.34988403320312	140.0
75.68022918701172	160.0
75.71485900878906	160.0
75.7754898071289	184.0
75.92108917236328	188.0
75.9592514038086	152.0
76.1484375	176.0
76.21097564697266	220.0
76.3309097290039	184.0
77.38480377197266	160.0
77.40756225585938	188.0
77.52183532714844	172.0
77.79855346679688	148.0
78.03572082519531	196.0
78.25917053222656	152.0
79.03933715820312	184.0
79.38475799560547	184.0
79.66696166992188	164.0
79.70960235595703	176.0
79.78069305419922	184.0
79.82763671875	192.0
80.06360626220703	188.0
80.09031677246094	180.0
80.76502227783203	152.0
80.81510925292969	176.0
81.25944519042969	144.0
81.49285125732422	196.0
82.23116302490234	152.0
82.31420135498047	144.0
82.43523406982422	212.0
82.80142974853516	148.0
83.33033752441406	144.0
83.4157485961914	152.0
83.72688293457031	168.0
83.83800506591797	144.0
83.96562194824219	144.0
84.29421997070312	240.0
84.54291534423828	168.0
86.25894165039062	244.0
86.75875854492188	164.0
86.84962463378906	140.0
87.28047180175781	152.0
87.50374603271484	168.0
87.67884063720703	188.0
89.57310485839844	144.0
89.87663269042969	156.0
90.60832977294922	212.0
90.67086029052734	212.0
90.73530578613281	360.0
91.05219268798828	160.0
91.2117919921875	216.0
91.2840347290039	144.0
91.44954681396484	240.0
91.53330993652344	296.0
91.57140350341797	148.0
92.0519790649414	156.0
92.40558624267578	152.0
92.64297485351562	176.0
92.85765838623047	140.0
93.89427947998047	152.0
94.06330108642578	224.0
94.3287124633789	228.0
94.79708099365234	156.0
95.11903381347656	152.0
95.414306640625	220.0
95.71977996826172	200.0
95.92434692382812	180.0
96.07744598388672	156.0
96.24430084228516	156.0
96.43574523925781	140.0
97.0762710571289	1892.0
97.26819610595703	160.0
97.51567840576172	144.0
97.61791229248047	192.0
98.08165740966797	204.0
99.05461120605469	144.0
99.09038543701172	160.0
99.14189910888672	156.0
99.7015380859375	160.0
100.11532592773438	148.0
100.78556823730469	208.0
101.32176208496094	164.0
101.5562973022461	216.0
101.63052368164062	264.0
101.7529525756836	152.0
101.84760284423828	152.0
102.00607299804688	180.0
102.05562591552734	16524.0
102.10103607177734	140.0
102.30712127685547	172.0
102.357666015625	148.0
102.55155181884766	156.0
103.05855560302734	388.0
103.80707550048828	140.0
104.27189636230469	144.0
105.01298522949219	144.0
105.1007080078125	144.0
105.18233489990234	192.0
105.2442855834961	140.0
105.96147155761719	200.0
106.30389404296875	188.0
107.12012481689453	188.0
108.04081726074219	156.0
108.58766174316406	184.0
110.0296859741211	148.0
110.09527587890625	1228.0
110.75950622558594	196.0
111.1599349975586	148.0
111.36603546142578	164.0
111.53797149658203	144.0
111.65570831298828	224.0
111.95244598388672	208.0
112.00930786132812	152.0
112.4204330444336	232.0
113.02901458740234	180.0
113.05919647216797	244.0
113.51898956298828	168.0
114.05589294433594	260.0
114.50226593017578	216.0
115.05427551269531	184.0
115.23392486572266	144.0
115.27024841308594	164.0
116.06935119628906	168.0
116.72573852539062	168.0
117.10665130615234	220.0
117.91787719726562	160.0
118.201171875	184.0
118.55631256103516	188.0
118.61699676513672	172.0
119.45953369140625	140.0
120.2254409790039	168.0
120.3050537109375	172.0
121.2455825805664	212.0
121.49554443359375	164.0
121.8951416015625	160.0
122.00723266601562	176.0
122.35042572021484	148.0
123.55982208251953	192.0
124.29096984863281	144.0
124.99980163574219	156.0
125.07081604003906	4316.0
125.20460510253906	164.0
125.4430160522461	224.0
125.58126068115234	180.0
126.07112121582031	276.0
127.7787857055664	156.0
128.07183837890625	1412.0
128.12442016601562	160.0
128.1863250732422	140.0
129.068115234375	136.0
130.73619079589844	148.0
131.0775146484375	148.0
131.19400024414062	192.0
131.4185028076172	212.0
131.64134216308594	128.0
132.52183532714844	168.0
132.96209716796875	164.0
133.14346313476562	156.0
133.48358154296875	148.0
133.93003845214844	180.0
135.51014709472656	140.0
135.74192810058594	172.0
136.22003173828125	164.0
136.2827606201172	176.0
136.68966674804688	140.0
137.22305297851562	140.0
137.80186462402344	156.0
137.98416137695312	232.0
138.2056884765625	156.0
138.9044952392578	156.0
139.08949279785156	148.0
140.07177734375	1480.0
140.3927764892578	168.0
140.9692840576172	184.0
141.07159423828125	184.0
141.36892700195312	144.0
141.6696319580078	176.0
141.82127380371094	180.0
142.0712890625	204.0
142.1936492919922	144.0
143.27316284179688	164.0
143.38754272460938	152.0
143.64505004882812	176.0
144.3193817138672	176.0
144.47396850585938	160.0
144.9456329345703	200.0
145.13739013671875	208.0
146.11732482910156	164.0
146.86891174316406	152.0
147.32513427734375	140.0
147.4000244140625	252.0
147.4314422607422	152.0
147.5619659423828	148.0
147.71673583984375	196.0
147.75787353515625	148.0
147.92242431640625	196.0
148.30755615234375	196.0
148.51608276367188	204.0
148.8218536376953	148.0
148.8874053955078	200.0
149.01513671875	188.0
149.1637725830078	140.0
149.19842529296875	212.0
149.25796508789062	104.0
149.66555786132812	256.0
150.02674865722656	144.0
150.72415161132812	180.0
150.87078857421875	148.0
150.92457580566406	144.0
150.951904296875	140.0
151.52423095703125	148.0
151.97044372558594	140.0
152.1162109375	172.0
152.34852600097656	176.0
153.70556640625	176.0
153.81240844726562	136.0
153.88282775878906	136.0
154.0803985595703	152.0
154.63182067871094	148.0
154.9512481689453	176.0
155.0404510498047	284.0
155.08328247070312	804.0
155.21646118164062	180.0
155.54393005371094	148.0
155.75003051757812	200.0
155.78231811523438	144.0
156.0914306640625	96.0
156.17506408691406	156.0
156.27207946777344	164.0
156.7003173828125	196.0
156.8140869140625	116.0
156.83737182617188	120.0
156.88473510742188	160.0
157.0124053955078	116.0
157.06517028808594	176.0
157.09791564941406	44468.0
157.17813110351562	220.0
157.3160858154297	96.0
157.5801239013672	188.0
158.1005859375	3044.0
158.42161560058594	148.0
158.4384307861328	168.0
158.56944274902344	228.0
158.77000427246094	156.0
158.97653198242188	25948.0
159.18478393554688	172.0
159.31358337402344	120.0
159.33477783203125	224.0
159.68165588378906	148.0
159.7629852294922	120.0
159.91815185546875	148.0
159.98072814941406	1988.0
160.10256958007812	112.0
160.53286743164062	144.0
160.5908660888672	276.0
160.7296142578125	188.0
160.8732147216797	116.0
160.9056396484375	168.0
160.9735565185547	14184.0
161.06356811523438	128.0
161.16390991210938	156.0
161.97702026367188	660.0
162.01905822753906	152.0
162.092529296875	140.0
162.40435791015625	168.0
162.81634521484375	244.0
162.97308349609375	524.0
163.12416076660156	100.0
163.3748779296875	168.0
164.02659606933594	328.0
164.57763671875	192.0
165.06312561035156	164.0
165.54931640625	168.0
165.72605895996094	164.0
167.22061157226562	160.0
167.42913818359375	156.0
167.9884490966797	156.0
169.2884979248047	168.0
169.6227264404297	144.0
170.0039825439453	200.0
170.0714569091797	208.0
170.46360778808594	172.0
170.93946838378906	168.0
170.9837188720703	196.0
171.4342498779297	192.0
172.32923889160156	176.0
172.36843872070312	176.0
172.99110412597656	168.0
174.18402099609375	164.0
174.8597412109375	176.0
174.9887237548828	272.0
175.0150604248047	172.0
175.07298278808594	156.0
175.3021697998047	220.0
175.39178466796875	164.0
175.4102325439453	148.0
175.80320739746094	152.0
175.83224487304688	208.0
176.03167724609375	176.0
176.15965270996094	220.0
176.86300659179688	156.0
178.0136260986328	188.0
178.04017639160156	156.0
178.33241271972656	220.0
178.41482543945312	224.0
178.6860809326172	172.0
179.05075073242188	332.0
179.58543395996094	136.0
179.61312866210938	148.0
179.85861206054688	164.0
179.91200256347656	156.0
180.49853515625	128.0
180.82615661621094	148.0
181.2286376953125	160.0
182.02447509765625	184.0
182.0779266357422	172.0
182.3065185546875	140.0
182.8578338623047	168.0
182.87667846679688	140.0
182.91436767578125	140.0
183.083984375	152.0
183.4234619140625	200.0
183.56634521484375	180.0
184.00074768066406	196.0
184.08985900878906	224.0
184.36270141601562	140.0
184.99388122558594	252.0
185.1881103515625	128.0
185.6549835205078	188.0
185.96327209472656	152.0
186.65057373046875	140.0
186.98410034179688	152.0
187.98805236816406	192.0
188.34024047851562	188.0
188.55882263183594	176.0
189.77969360351562	216.0
189.99636840820312	188.0
190.3723907470703	148.0
190.82232666015625	140.0
191.25491333007812	228.0
191.48619079589844	172.0
191.94639587402344	140.0
192.0649871826172	168.0
192.59217834472656	176.0
193.02699279785156	160.0
193.0601806640625	392.0
193.10350036621094	140.0
193.1754150390625	184.0
194.5233917236328	144.0
194.57766723632812	164.0
194.9498748779297	172.0
195.07493591308594	156.0
195.16946411132812	144.0
195.5227508544922	144.0
195.67027282714844	208.0
195.9125518798828	212.0
196.14541625976562	312.0
196.52870178222656	160.0
196.8580780029297	168.0
196.9948272705078	140.0
197.12344360351562	148.0
198.4249725341797	140.0
198.89625549316406	200.0
198.9847869873047	304.0
199.11244201660156	148.0
199.52830505371094	172.0
199.67733764648438	176.0
199.86862182617188	176.0
200.00619506835938	136.0
200.14727783203125	244.0
200.49375915527344	208.0
200.55577087402344	188.0
200.59523010253906	188.0
200.9900665283203	164.0
201.04931640625	160.0
201.419189453125	176.0
202.14097595214844	144.0
203.0664825439453	164.0
203.67103576660156	152.0
204.0517578125	180.0
204.08309936523438	180.0
204.2905731201172	156.0
205.6727294921875	140.0
206.03709411621094	912.0
206.40980529785156	232.0
206.8389434814453	224.0
207.02789306640625	168.0
207.07086181640625	196.0
207.6768798828125	144.0
208.0333709716797	140.0
208.52545166015625	160.0
209.06036376953125	144.0
209.65936279296875	164.0
210.0514678955078	156.0
211.3717803955078	152.0
211.63807678222656	140.0
211.99920654296875	148.0
212.2030487060547	152.0
212.26394653320312	140.0
212.7368621826172	140.0
212.99530029296875	172.0
213.028564453125	292.0
213.10568237304688	220.0
213.75408935546875	164.0
214.0103302001953	204.0
214.5871124267578	144.0
214.9546356201172	164.0
215.01882934570312	148.0
216.08538818359375	172.0
216.26388549804688	176.0
216.288818359375	116.0
216.3195037841797	140.0
216.56253051757812	200.0
216.8965606689453	152.0
217.1095733642578	140.0
218.00595092773438	172.0
218.06179809570312	140.0
218.92672729492188	176.0
219.3126678466797	164.0
219.51608276367188	152.0
219.94947814941406	120.0
220.3661651611328	156.0
220.8969268798828	144.0
221.0597686767578	420.0
221.593994140625	148.0
221.85775756835938	220.0
222.06234741210938	156.0
222.516357421875	144.0
222.67701721191406	120.0
222.8430633544922	152.0
223.48757934570312	160.0
223.81565856933594	236.0
224.21780395507812	140.0
224.38473510742188	140.0
224.66506958007812	176.0
224.75611877441406	124.0
224.98875427246094	256.0
225.45631408691406	144.0
226.69223022460938	172.0
226.8600616455078	160.0
226.98585510253906	276.0
227.22293090820312	192.0
227.5560760498047	148.0
227.58009338378906	148.0
228.00216674804688	276.0
228.17144775390625	1688.0
229.0258331298828	176.0
229.08079528808594	172.0
229.176025390625	404.0
229.54795837402344	148.0
230.0167236328125	668.0
230.11520385742188	200.0
230.1417999267578	168.0
230.73757934570312	144.0
231.0200653076172	248.0
231.4394989013672	148.0
231.79388427734375	148.0
232.0127716064453	496.0
232.08079528808594	116.0
232.3634033203125	144.0
232.60061645507812	156.0
233.0366973876953	180.0
233.8163604736328	140.0
234.06954956054688	140.0
234.20724487304688	180.0
234.50161743164062	144.0
235.05706787109375	116.0
235.1133270263672	196.0
235.33746337890625	160.0
235.94544982910156	144.0
236.31857299804688	168.0
236.38894653320312	180.0
236.8052978515625	164.0
237.1852264404297	240.0
237.5501251220703	200.0
238.01611328125	172.0
238.53582763671875	180.0
238.66494750976562	156.0
238.7479705810547	148.0
238.86569213867188	160.0
238.9386749267578	180.0
239.03097534179688	144.0
239.6529541015625	196.0
239.99508666992188	328.0
240.02894592285156	124.0
240.09683227539062	140.0
240.46705627441406	168.0
241.01577758789062	260.0
241.6876983642578	168.0
241.93838500976562	164.0
242.0037078857422	124.0
242.14981079101562	144.0
242.87278747558594	184.0
243.00759887695312	168.0
243.1094970703125	148.0
243.14723205566406	156.0
243.65614318847656	152.0
243.72482299804688	176.0
244.02993774414062	428.0
244.06362915039062	212.0
244.29998779296875	220.0
244.8197784423828	156.0
245.60516357421875	164.0
246.03407287597656	152.0
246.16693115234375	208.0
246.638671875	176.0
246.6918182373047	180.0
247.06707763671875	144.0
247.09524536132812	160.0
247.7464141845703	168.0
247.90933227539062	144.0
248.02215576171875	196.0
248.29429626464844	196.0
249.0261993408203	144.0
249.0783233642578	168.0
249.1581268310547	168.0
250.13612365722656	164.0
250.18333435058594	176.0
250.45729064941406	156.0
250.4824981689453	212.0
251.5104217529297	200.0
253.23043823242188	156.0
253.37298583984375	164.0
253.5567626953125	200.0
254.02284240722656	152.0
254.37969970703125	120.0
255.05706787109375	324.0
255.2964630126953	156.0
255.77688598632812	152.0
256.02911376953125	6604.0
256.12274169921875	136.0
256.52728271484375	152.0
256.7289123535156	108.0
256.8379211425781	204.0
256.876220703125	224.0
257.0322570800781	1128.0
257.72222900390625	164.0
258.0271301269531	2736.0
258.1014404296875	132.0
258.25927734375	160.0
258.3968505859375	152.0
258.562255859375	132.0
258.88336181640625	156.0
259.030029296875	284.0
259.7793884277344	136.0
260.0256652832031	264.0
260.66693115234375	156.0
260.97869873046875	164.0
261.0257873535156	152.0
262.02374267578125	240.0
262.47271728515625	140.0
262.88885498046875	216.0
263.0340881347656	184.0
263.76409912109375	140.0
264.3639831542969	116.0
264.4303894042969	152.0
264.5663146972656	264.0
264.6795654296875	168.0
264.8030700683594	144.0
264.9905700683594	144.0
265.116943359375	144.0
266.18463134765625	148.0
266.4797668457031	144.0
267.0434265136719	272.0
267.1698913574219	176.0
267.5627746582031	148.0
267.8265380859375	144.0
267.9224548339844	144.0
268.0206298828125	184.0
268.12628173828125	180.0
268.318603515625	168.0
268.55487060546875	116.0
268.65777587890625	156.0
268.8992919921875	180.0
269.0456237792969	184.0
269.117919921875	172.0
269.36102294921875	148.0
269.4772033691406	176.0
269.57196044921875	152.0
269.9805908203125	148.0
270.0394592285156	188.0
270.1081237792969	168.0
270.4451599121094	160.0
270.72998046875	144.0
271.041259765625	160.0
271.7001953125	144.0
272.0340576171875	260.0
272.5472412109375	176.0
272.6242980957031	188.0
273.2015075683594	204.0
273.2311096191406	180.0
273.2790832519531	180.0
274.83892822265625	152.0
275.0534362792969	168.0
275.65289306640625	120.0
276.0842590332031	192.0
276.8487243652344	144.0
277.2230529785156	176.0
277.3125305175781	160.0
277.7269592285156	200.0
277.7767333984375	192.0
277.8331298828125	140.0
278.14837646484375	188.0
278.26788330078125	260.0
278.520263671875	188.0
279.53759765625	200.0
280.05694580078125	140.0
280.436767578125	180.0
281.31402587890625	160.0
281.9051818847656	144.0
282.6742858886719	156.0
282.99896240234375	144.0
283.04010009765625	468.0
283.1195068359375	152.0
283.3874816894531	140.0
284.0449523925781	252.0
284.4002380371094	164.0
284.5445861816406	140.0
285.0344543457031	448.0
285.122314453125	148.0
285.3330993652344	164.0
286.0372619628906	308.0
286.1987609863281	176.0
286.41009521484375	164.0
286.8118896484375	160.0
287.0209045410156	196.0
287.17755126953125	116.0
287.8273620605469	152.0
288.0193786621094	796.0
288.5639343261719	188.0
288.70611572265625	152.0
289.0277404785156	280.0
289.0746765136719	160.0
289.23236083984375	140.0
289.5790710449219	188.0
290.0165710449219	1140.0
290.2161560058594	180.0
290.4162292480469	160.0
291.22882080078125	148.0
291.39495849609375	220.0
292.47528076171875	144.0
292.5080261230469	136.0
292.9383850097656	236.0
293.28253173828125	164.0
293.46319580078125	188.0
293.6609802246094	164.0
293.73602294921875	108.0
294.01239013671875	140.0
294.57232666015625	152.0
294.9829406738281	172.0
296.28277587890625	232.0
296.3135986328125	164.0
297.1775817871094	208.0
297.4602966308594	160.0
297.76458740234375	156.0
298.8887023925781	168.0
299.2742004394531	152.0
299.6229553222656	180.0
300.3562927246094	168.0
300.6109924316406	136.0
301.5163879394531	156.0
302.3429260253906	168.0
302.37408447265625	148.0
302.7873840332031	116.0
303.4274597167969	192.0
303.74267578125	164.0
304.240478515625	140.0
304.8050231933594	212.0
304.8571472167969	188.0
305.2686767578125	208.0
305.6191711425781	132.0
306.7295837402344	148.0
307.0852355957031	168.0
307.2177734375	192.0
307.5387878417969	160.0
307.8146057128906	148.0
308.09515380859375	416.0
308.5098571777344	144.0
308.55181884765625	200.0
309.1003112792969	108.0
309.1814270019531	244.0
309.41595458984375	156.0
310.08892822265625	280.0
310.3619384765625	216.0
310.8319396972656	232.0
311.0357971191406	868.0
311.2755432128906	136.0
311.58331298828125	148.0
311.6395263671875	140.0
312.0386047363281	532.0
312.3885498046875	144.0
312.6441955566406	184.0
313.0303955078125	680.0
313.0958251953125	140.0
313.3766784667969	184.0
313.5150451660156	152.0
313.7970275878906	180.0
313.9980163574219	148.0
314.2590637207031	192.0
314.9015197753906	164.0
315.4916076660156	204.0
316.03411865234375	120.0
316.3229064941406	224.0
316.55303955078125	188.0
316.6061706542969	164.0
316.7017822265625	160.0
317.0392761230469	208.0
317.0650634765625	148.0
317.3366394042969	136.0
317.4708557128906	144.0
317.9426574707031	156.0
317.9781494140625	204.0
318.2301940917969	152.0
318.361572265625	160.0
318.542724609375	164.0
318.6386413574219	144.0
318.80206298828125	140.0
319.7195739746094	140.0
319.89398193359375	172.0
320.11114501953125	160.0
320.6098937988281	156.0
321.1553649902344	220.0
321.89410400390625	248.0
323.044921875	140.0
323.29205322265625	112.0
323.7929992675781	148.0
323.936279296875	156.0
324.0007629394531	168.0
324.4329833984375	152.0
325.84478759765625	168.0
325.9309997558594	148.0
326.1861877441406	140.0
326.7341613769531	136.0
327.0406494140625	216.0
327.25103759765625	176.0
327.3914489746094	140.0
327.7372741699219	148.0
327.8201599121094	164.0
327.8778076171875	156.0
330.41259765625	144.0
331.3865051269531	152.0
331.5966796875	228.0
331.66552734375	232.0
332.05877685546875	144.0
332.2239685058594	160.0
332.36834716796875	116.0
334.0943603515625	116.0
334.5133361816406	188.0
334.7514953613281	144.0
335.154296875	144.0
335.8719787597656	116.0
336.09503173828125	160.0
336.267578125	156.0
336.4673156738281	148.0
336.5257263183594	196.0
336.5987548828125	160.0
336.7317810058594	112.0
337.9159240722656	204.0
337.99139404296875	160.0
338.0938720703125	172.0
338.27685546875	204.0
339.0350341796875	164.0
339.3319396972656	168.0
339.432373046875	112.0
339.6693115234375	164.0
339.7500305175781	168.0
339.8564147949219	164.0
340.09521484375	116.0
340.33355712890625	212.0
340.38128662109375	168.0
340.4363708496094	144.0
340.6588134765625	128.0
340.6951599121094	124.0
340.9239196777344	128.0
341.01507568359375	116.0
341.04180908203125	156.0
341.3660888671875	316.0
341.4246520996094	104.0
341.67694091796875	116.0
341.76593017578125	148.0
341.8316955566406	200.0
341.91900634765625	160.0
342.0265808105469	136.0
342.0589294433594	280.0
342.1480407714844	144.0
342.2194519042969	144.0
342.2867736816406	140.0
342.3470153808594	228.0
342.3808898925781	396.0
342.4497375488281	228.0
342.5141296386719	204.0
342.6429138183594	216.0
342.6670837402344	184.0
342.75177001953125	164.0
342.78839111328125	188.0
342.8430480957031	112.0
342.9336853027344	308.0
343.0089111328125	600.0
343.0631103515625	260800.0
343.1558532714844	372.0
343.2616271972656	148.0
343.3034973144531	296.0
343.3938903808594	260.0
343.45928955078125	260.0
343.5157165527344	196.0
343.60626220703125	228.0
343.669921875	1172.0
343.7349548339844	140.0
343.76507568359375	192.0
343.8082580566406	284.0
343.8663024902344	156.0
344.0162048339844	200.0
344.0653991699219	48996.0
344.17138671875	272.0
344.2099609375	224.0
344.28375244140625	128.0
344.3382873535156	252.0
344.3712463378906	152.0
344.39398193359375	184.0
344.43365478515625	176.0
344.479736328125	200.0
344.6211853027344	456.0
344.6695556640625	120.0
344.7323913574219	196.0
344.84344482421875	140.0
344.8984680175781	232.0
344.9267272949219	216.0
345.06011962890625	172524.0
345.149658203125	252.0
345.2606201171875	156.0
345.3285827636719	120.0
345.440185546875	328.0
345.5010986328125	284.0
345.5475769042969	224.0
345.59527587890625	184.0
345.66845703125	364.0
345.7580871582031	252.0
345.7825927734375	184.0
345.8789367675781	140.0
345.9231872558594	264.0
346.0012512207031	196.0
346.06158447265625	18916.0
346.14154052734375	168.0
346.18743896484375	176.0
346.2268371582031	452.0
346.2696228027344	120.0
346.328125	252.0
346.37408447265625	152.0
346.3865966796875	288.0
346.467041015625	304.0
346.5318298339844	252.0
346.6078796386719	140.0
346.6619567871094	96.0
346.6929931640625	152.0
346.75384521484375	104.0
346.856201171875	120.0
346.946533203125	176.0
347.0564880371094	5888.0
347.2044982910156	112.0
347.29510498046875	104.0
347.4028625488281	176.0
347.5079345703125	128.0
347.57183837890625	140.0
347.6964111328125	200.0
347.7709045410156	204.0
347.8440246582031	144.0
347.9038391113281	184.0
347.966796875	124.0
348.0150146484375	152.0
348.04473876953125	164.0
348.1343688964844	140.0
348.2010803222656	216.0
348.25970458984375	264.0
348.2974853515625	104.0
348.59295654296875	160.0
349.24432373046875	140.0
349.3082580566406	200.0
349.8223876953125	136.0
350.3204040527344	108.0
350.4449768066406	104.0
350.94317626953125	172.0
351.67657470703125	196.0
351.9580993652344	168.0
353.7099304199219	180.0
355.2725524902344	192.0
356.3256530761719	148.0
356.8385925292969	144.0
356.9976806640625	144.0
357.13568115234375	156.0
357.61676025390625	116.0
357.9720153808594	104.0
358.2724609375	140.0
358.5927429199219	156.0
358.8108215332031	164.0
358.9297180175781	104.0
359.0010986328125	128.0
360.50445556640625	100.0
361.27227783203125	108.0
361.44976806640625	168.0
362.08624267578125	160.0
362.9969482421875	172.0
363.12884521484375	132.0
363.50146484375	144.0
364.05902099609375	96.0
364.73956298828125	144.0
365.0627136230469	160.0
365.12738037109375	144.0
366.2262878417969	144.0
366.54425048828125	100.0
367.0237731933594	200.0
368.0883483886719	184.0
369.448974609375	168.0
370.8927307128906	120.0
371.87451171875	156.0
372.0280456542969	156.0
372.20849609375	152.0
372.250732421875	164.0
374.28485107421875	148.0
375.572021484375	188.0
375.65301513671875	144.0
378.1916809082031	164.0
378.354248046875	172.0
379.88885498046875	204.0
379.9703369140625	240.0
381.6083068847656	172.0
382.0409851074219	152.0
382.8466796875	212.0
383.275146484375	160.0
384.94464111328125	144.0
385.2411804199219	100.0
385.5462341308594	180.0
386.37518310546875	252.0
386.6099548339844	144.0
387.67120361328125	168.0
387.92596435546875	152.0
389.9709777832031	168.0
390.2461242675781	164.0
391.44622802734375	156.0
391.74951171875	140.0
392.0055847167969	164.0
392.2420654296875	156.0
392.92822265625	176.0
393.0150451660156	140.0
394.20751953125	156.0
395.3226623535156	140.0
395.6177062988281	184.0
396.96661376953125	176.0
397.0498962402344	148.0
397.7759704589844	148.0
399.0114440917969	152.0
399.4210205078125	140.0
399.7751159667969	140.0
401.1651611328125	148.0
401.4920959472656	152.0
402.8930969238281	140.0
403.1259765625	180.0
403.1607971191406	192.0
403.4102478027344	108.0
403.86309814453125	184.0
403.9342956542969	156.0
404.764892578125	184.0
405.0932922363281	164.0
405.5420837402344	160.0
405.60821533203125	136.0
405.7224426269531	184.0
406.9167175292969	144.0
407.1830139160156	144.0
407.4400939941406	196.0
407.9169921875	108.0
408.18365478515625	176.0
408.6904602050781	144.0
409.22174072265625	180.0
409.4150085449219	160.0
410.216796875	96.0
410.28533935546875	188.0
410.39111328125	120.0
410.912109375	292.0
411.2254943847656	108.0
411.41754150390625	160.0
411.4892272949219	136.0
411.5542297363281	116.0
411.6600341796875	288.0
411.72705078125	168.0
411.8173522949219	300.0
411.8555908203125	124.0
411.93914794921875	108.0
412.0174255371094	104.0
412.12445068359375	140.0
412.1718444824219	212.0
412.32025146484375	160.0
412.4347839355469	160.0
412.4822692871094	280.0
412.54083251953125	192.0
412.65087890625	100.0
412.71795654296875	140.0
412.7701721191406	104.0
412.7997741699219	216.0
412.951904296875	148.0
412.997802734375	116.0
413.0870056152344	136.0
413.1417236328125	148.0
413.20318603515625	292.0
413.2444763183594	184.0
413.3339538574219	164.0
413.4019470214844	412.0
413.4664611816406	384.0
413.49505615234375	188.0
413.5437927246094	116.0
413.57489013671875	388.0
413.662109375	296.0
413.74749755859375	344.0
413.78961181640625	292.0
413.8502502441406	256.0
413.88519287109375	124.0
413.96197509765625	172.0
414.0106201171875	336.0
414.0374755859375	568.0
414.0738525390625	840.0
414.137451171875	194012.0
414.2415771484375	124.0
414.2943115234375	240.0
414.412841796875	196.0
414.4309997558594	168.0
414.5039367675781	308.0
414.5303649902344	436.0
414.58197021484375	432.0
414.6244201660156	128.0
414.76751708984375	156.0
414.8056335449219	5204.0
414.86614990234375	316.0
414.9211730957031	136.0
414.9522705078125	396.0
415.0011291503906	292.0
415.06121826171875	352.0
415.1396179199219	81112.0
415.2767639160156	136.0
415.4031677246094	212.0
415.4405517578125	280.0
415.495361328125	216.0
415.5315246582031	332.0
415.5758972167969	188.0
415.69476318359375	216.0
415.80474853515625	440.0
415.8905029296875	260.0
415.9550476074219	376.0
416.0013427734375	136.0
416.0579833984375	560.0
416.13446044921875	160416.0
416.2347106933594	264.0
416.3084411621094	152.0
416.4169921875	116.0
416.5091247558594	256.0
416.5788269042969	200.0
416.636962890625	164.0
416.6790466308594	236.0
416.7247314453125	180.0
416.76666259765625	152.0
416.8027648925781	2420.0
416.8455505371094	228.0
416.9002990722656	152.0
416.9430236816406	184.0
417.13653564453125	37040.0
417.2458801269531	392.0
417.2984619140625	124.0
417.3465270996094	172.0
417.3986511230469	132.0
417.47576904296875	292.0
417.54962158203125	184.0
417.6011657714844	180.0
417.6667785644531	180.0
417.6788635253906	248.0
417.73992919921875	504.0
417.7786560058594	192.0
417.8186340332031	248.0
417.8730163574219	264.0
417.9226379394531	244.0
417.99456787109375	256.0
418.0250244140625	184.0
418.0748291015625	164.0
418.1297302246094	8836.0
418.193603515625	240.0
418.38006591796875	168.0
418.4824523925781	100.0
418.53485107421875	220.0
418.7561340332031	132.0
418.8411560058594	172.0
418.90203857421875	212.0
419.0024108886719	168.0
419.0514831542969	136.0
419.1183166503906	204.0
419.212890625	192.0
419.32257080078125	104.0
419.4292297363281	104.0
419.5235290527344	100.0
419.5860595703125	188.0
419.697265625	200.0
419.7578430175781	324.0
419.7914733886719	140.0
419.91363525390625	236.0
420.142822265625	152.0
420.2530822753906	108.0
420.3377685546875	180.0
420.5365295410156	112.0
420.5683288574219	132.0
420.6379699707031	116.0
420.81817626953125	172.0
420.84942626953125	112.0
420.9652099609375	100.0
421.0052795410156	96.0
421.1960144042969	132.0
421.69586181640625	152.0
421.8863220214844	128.0
423.5643005371094	104.0
427.3167419433594	148.0
427.9635314941406	96.0
430.3613586425781	116.0
430.55364990234375	220.0
431.2677307128906	100.0
431.9870300292969	100.0
433.1344909667969	160.0
433.62091064453125	100.0
434.5003967285156	120.0
435.0046081542969	168.0
437.4779968261719	152.0
437.7611083984375	212.0
440.0210266113281	148.0
494.24169921875	184.0
504.73016357421875	152.0
522.0872802734375	168.0
533.3665161132812	148.0
582.2171020507812	108.0
616.5314331054688	156.0
628.1446533203125	160.0
646.6187744140625	224.0
650.2235107421875	140.0
663.4783935546875	104.0
692.662353515625	160.0
838.2363891601562	152.0
1077.303955078125	224.0
1141.6197509765625	164.0
1205.031982421875	192.0
1227.1444091796875	180.0
1235.2802734375	196.0
1261.333251953125	160.0
1275.765869140625	220.0
1300.954833984375	224.0
1319.9393310546875	176.0
1326.3392333984375	164.0
1333.052490234375	172.0
1336.3214111328125	140.0
1342.36279296875	204.0
1350.8568115234375	140.0
1369.3905029296875	156.0
1376.388916015625	152.0
1378.309326171875	164.0
1383.301513671875	144.0
1398.257568359375	156.0
1400.7071533203125	168.0
1402.3165283203125	216.0
1406.8665771484375	236.0
1444.379638671875	216.0
1450.357177734375	240.0
1451.877685546875	144.0
1465.07275390625	160.0
1469.342041015625	164.0
1481.49267578125	136.0
1483.16015625	160.0
1495.5186767578125	164.0
1513.14208984375	140.0
1520.3740234375	176.0
1528.3466796875	160.0
1531.1490478515625	152.0
1532.71484375	140.0
1537.9945068359375	176.0
1538.4005126953125	176.0
1546.0445556640625	160.0
1548.9884033203125	160.0
1554.099853515625	160.0
1556.7764892578125	168.0
1557.6876220703125	144.0
1559.47119140625	144.0
1587.1805419921875	152.0
1593.1727294921875	192.0
1597.2586669921875	200.0
1598.2611083984375	196.0
1602.496826171875	172.0
1612.15185546875	176.0
1614.4781494140625	216.0
1617.010986328125	232.0
1645.86572265625	152.0
1647.5537109375	144.0
1660.6669921875	180.0
1660.958984375	144.0
1664.42626953125	152.0
1674.22314453125	272.0
1677.6859130859375	216.0
1679.4390869140625	144.0
1680.2303466796875	216.0
1680.4588623046875	212.0
1693.01416015625	148.0
1693.4891357421875	176.0
1693.8741455078125	160.0
1727.4844970703125	140.0
1748.2186279296875	212.0
1749.450439453125	140.0
1754.165283203125	152.0
1754.548828125	152.0
1759.395751953125	140.0
1763.722900390625	148.0
1765.4617919921875	140.0
1767.7288818359375	144.0
1780.034423828125	156.0
1786.4302978515625	164.0
1789.1737060546875	148.0
1796.2354736328125	140.0
1815.358154296875	160.0
1823.9755859375	184.0
1830.918212890625	160.0
1848.3753662109375	140.0
1850.8748779296875	176.0
1858.10009765625	216.0
1858.3660888671875	184.0
1865.6746826171875	152.0
1871.9296875	160.0
1876.548095703125	148.0
1876.9620361328125	256.0
1886.7528076171875	204.0
1888.4649658203125	232.0
1901.3133544921875	144.0
1915.8948974609375	168.0
1921.30859375	184.0
1923.56884765625	164.0
1924.51171875	168.0
1941.443603515625	148.0
1946.5157470703125	256.0
1951.3570556640625	148.0
1959.0047607421875	192.0
1970.62353515625	172.0
1977.0076904296875	156.0
1978.716064453125	176.0
1989.2388916015625	184.0
1989.7589111328125	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079126
PEPMASS=308.03775
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=NITAZOXANIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-]
INCHI=InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)
INCHIAUX=YQNQNVDNTFHQSW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079126
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079126
SCANS=1388
45.774227142333984	196.0
47.49897766113281	196.0
52.3564453125	216.0
55.02210998535156	140.0
58.067481994628906	152.0
67.6858901977539	196.0
71.40681457519531	160.0
75.87083435058594	168.0
82.53468322753906	140.0
84.61982727050781	140.0
103.33914947509766	196.0
118.05412292480469	168.0
119.31604766845703	140.0
120.86678314208984	200.0
121.02938842773438	6284.0
121.36180114746094	176.0
121.51972198486328	152.0
122.03031921386719	540.0
124.03819274902344	216.0
128.99740600585938	640.0
135.0102081298828	140.0
146.0014190673828	1112.0
147.0064697265625	180.0
147.94911193847656	140.0
161.9988555908203	172.0
163.03952026367188	1560.0
164.04629516601562	348.0
171.9810791015625	404.0
175.001953125	164.0
209.1611785888672	208.0
247.80288696289062	208.0
248.0130615234375	496.0
248.99757385253906	368.0
265.0101013183594	144.0
266.0237731933594	5492.0
266.0927429199219	208.0
267.0252990722656	908.0
268.0250244140625	316.0
290.0297546386719	152.0
309.1303405761719	108.0
310.1446838378906	168.0
317.9747314453125	144.0
382.3523864746094	172.0
1559.1102294921875	148.0
1586.8243408203125	172.0
1618.9281005859375	196.0
1727.212158203125	176.0
1994.1070556640625	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079127
PEPMASS=380.183899
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Oc1nc2ccccc2n1C3=CCN(CCCC(=O)c4ccc(F)cc4)CC3
INCHI=InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)
INCHIAUX=RMEDXOLNCUSCGS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079127
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079127
SCANS=1099
44.99249267578125	172.0
45.01919937133789	140.0
45.34563064575195	168.0
45.583168029785156	192.0
46.087120056152344	172.0
46.17498779296875	180.0
46.25346374511719	184.0
46.379432678222656	152.0
46.435585021972656	184.0
46.46079635620117	184.0
46.589149475097656	140.0
46.619659423828125	216.0
46.642765045166016	204.0
46.98729705810547	144.0
47.072757720947266	144.0
47.119728088378906	164.0
47.31393051147461	204.0
47.38651657104492	336.0
47.418033599853516	180.0
47.66230392456055	160.0
47.8321418762207	120.0
47.90306854248047	328.0
47.93751525878906	144.0
48.01909637451172	136.0
48.16930389404297	184.0
48.578460693359375	248.0
48.701202392578125	180.0
48.738712310791016	140.0
48.87080383300781	168.0
49.005859375	168.0
49.100650787353516	164.0
49.12715148925781	160.0
49.18017578125	160.0
49.20174789428711	168.0
49.42613983154297	144.0
49.6558837890625	156.0
49.7225341796875	292.0
49.80746841430664	172.0
49.836971282958984	180.0
49.8524284362793	176.0
49.95365905761719	160.0
50.03630447387695	176.0
50.21282958984375	152.0
50.5482292175293	144.0
50.561790466308594	140.0
50.754737854003906	116.0
50.94746780395508	172.0
50.9815673828125	160.0
51.02705383300781	184.0
51.34744644165039	184.0
51.44447326660156	208.0
51.49016571044922	152.0
51.714630126953125	256.0
51.731807708740234	216.0
51.90516662597656	184.0
52.04363250732422	156.0
52.26138687133789	144.0
52.341392517089844	192.0
52.45004653930664	144.0
52.65059280395508	148.0
52.7257194519043	140.0
52.906524658203125	164.0
53.03834533691406	156.0
53.09634017944336	188.0
53.23585510253906	148.0
53.41151809692383	224.0
53.42897415161133	152.0
53.43915939331055	216.0
53.835636138916016	168.0
54.16032028198242	152.0
54.19255065917969	200.0
54.22918701171875	220.0
54.27714538574219	196.0
54.3831901550293	184.0
54.404720306396484	192.0
54.51389694213867	160.0
54.74043655395508	200.0
54.76900100708008	172.0
54.799354553222656	168.0
54.881893157958984	192.0
55.18901062011719	140.0
55.29847717285156	164.0
55.43621063232422	164.0
55.70852279663086	120.0
55.777565002441406	180.0
55.902618408203125	148.0
56.021610260009766	452.0
56.073760986328125	220.0
56.20200729370117	360.0
56.33936309814453	140.0
56.46674728393555	256.0
56.50274658203125	188.0
56.68183135986328	116.0
56.935508728027344	144.0
57.61785125732422	168.0
57.82350158691406	184.0
57.837120056152344	180.0
57.870426177978516	152.0
57.9431266784668	148.0
58.09775924682617	208.0
58.14432907104492	168.0
58.79922103881836	184.0
59.2380485534668	160.0
59.45423889160156	204.0
59.790802001953125	204.0
60.080482482910156	200.0
60.166236877441406	120.0
60.19160842895508	160.0
60.23948669433594	180.0
60.37704849243164	140.0
60.47761154174805	172.0
60.49928283691406	164.0
60.544185638427734	224.0
60.603050231933594	144.0
60.72789764404297	320.0
60.9671745300293	152.0
61.090538024902344	140.0
61.13740158081055	204.0
61.24620056152344	192.0
61.45821762084961	148.0
61.71582794189453	116.0
61.77067565917969	168.0
61.840328216552734	136.0
61.96792984008789	172.0
62.02277755737305	152.0
62.170204162597656	156.0
62.205867767333984	156.0
62.234798431396484	212.0
62.61983871459961	176.0
62.7364387512207	148.0
63.12484359741211	156.0
63.31654357910156	176.0
63.34642028808594	176.0
63.68745803833008	140.0
64.1661148071289	96.0
64.18238830566406	156.0
64.3387451171875	140.0
64.53685760498047	160.0
64.68724060058594	160.0
64.8570327758789	152.0
64.9516372680664	140.0
65.08465576171875	176.0
65.14842987060547	108.0
65.50621032714844	148.0
65.53520202636719	144.0
65.70933532714844	148.0
65.7561264038086	164.0
65.79727172851562	148.0
65.82716369628906	160.0
66.00652313232422	188.0
66.10034942626953	144.0
66.1116714477539	172.0
66.31269836425781	128.0
66.42162322998047	184.0
66.52336120605469	188.0
66.71829986572266	168.0
66.85818481445312	184.0
66.99169921875	144.0
67.15306854248047	164.0
67.28360748291016	160.0
67.41342163085938	184.0
67.4404296875	140.0
67.53623962402344	240.0
67.58106231689453	220.0
67.62688446044922	164.0
67.63997650146484	164.0
67.74150848388672	268.0
67.80376434326172	184.0
67.8562240600586	152.0
67.92509460449219	144.0
68.4694595336914	160.0
68.5672836303711	208.0
68.80551147460938	140.0
68.9426040649414	180.0
68.970703125	160.0
69.207275390625	184.0
69.34642791748047	172.0
69.38288879394531	164.0
69.41937255859375	160.0
69.5271987915039	248.0
69.77469635009766	200.0
69.97933197021484	160.0
70.0159683227539	216.0
70.25265502929688	176.0
70.29301452636719	188.0
70.31605529785156	424.0
70.4830551147461	176.0
70.63184356689453	220.0
70.69039916992188	204.0
70.72721862792969	148.0
70.9734878540039	180.0
71.0747299194336	144.0
71.3462142944336	172.0
71.4858169555664	144.0
71.7293701171875	236.0
71.86325073242188	160.0
72.11148834228516	148.0
72.30767822265625	140.0
72.32121276855469	176.0
72.42289733886719	152.0
72.62686157226562	184.0
72.66352081298828	180.0
72.78233337402344	172.0
73.18871307373047	168.0
73.42728424072266	164.0
73.87551879882812	228.0
74.14704132080078	152.0
74.19161224365234	164.0
74.36486053466797	144.0
74.57611846923828	144.0
74.60964965820312	212.0
74.63456726074219	276.0
74.70773315429688	152.0
74.72916412353516	168.0
74.85653686523438	152.0
74.88409423828125	144.0
74.92543029785156	176.0
75.1443862915039	168.0
75.15715026855469	152.0
75.2366943359375	140.0
75.43278503417969	160.0
75.5348129272461	172.0
75.59536743164062	140.0
75.75811767578125	216.0
75.92675018310547	276.0
76.09803771972656	192.0
76.1449203491211	208.0
76.34651947021484	176.0
76.36309814453125	240.0
76.46829986572266	172.0
76.51355743408203	156.0
76.61282348632812	192.0
76.81678009033203	164.0
76.90576934814453	188.0
76.93329620361328	208.0
77.38607788085938	180.0
77.45918273925781	184.0
77.48716735839844	152.0
77.62831115722656	196.0
77.80728149414062	176.0
77.91792297363281	184.0
78.08409118652344	184.0
78.10074615478516	140.0
78.11305236816406	156.0
78.16759490966797	184.0
78.2133560180664	152.0
78.57588958740234	192.0
78.79106140136719	172.0
79.03751373291016	164.0
79.7842025756836	176.0
80.11608123779297	220.0
80.16866302490234	140.0
80.19182586669922	172.0
80.32059478759766	204.0
80.39157104492188	148.0
80.52903747558594	188.0
80.68450164794922	140.0
80.7435073852539	184.0
80.78106689453125	152.0
80.805419921875	124.0
80.89420318603516	108.0
81.09083557128906	164.0
81.13026428222656	220.0
81.3688735961914	152.0
81.47564697265625	132.0
81.77603912353516	148.0
81.92277526855469	184.0
81.98944091796875	160.0
82.0958023071289	148.0
82.19501495361328	172.0
82.21456909179688	192.0
82.27082061767578	180.0
82.30879211425781	128.0
82.70646667480469	176.0
82.79547882080078	144.0
82.88394165039062	144.0
82.97456359863281	144.0
83.06160736083984	148.0
83.2794189453125	216.0
83.44842529296875	152.0
83.5248031616211	164.0
83.74250793457031	144.0
83.87987518310547	172.0
83.97651672363281	176.0
84.08050537109375	152.0
84.14073944091797	208.0
84.16995239257812	176.0
84.2283935546875	140.0
84.31061553955078	208.0
84.48431396484375	188.0
84.51358795166016	164.0
84.8652572631836	240.0
85.03816223144531	156.0
85.05604553222656	180.0
85.07318115234375	192.0
85.26542663574219	176.0
85.35734558105469	156.0
85.4345932006836	164.0
85.53764343261719	200.0
85.56075286865234	188.0
85.58919525146484	140.0
85.7568359375	208.0
85.86560821533203	180.0
85.90988159179688	192.0
85.99291229248047	176.0
86.09629821777344	192.0
86.11846160888672	144.0
86.13877868652344	156.0
86.15477752685547	176.0
86.32360076904297	164.0
86.88462829589844	160.0
87.01287078857422	140.0
87.35520935058594	112.0
87.40504455566406	140.0
87.4813461303711	180.0
87.51348876953125	180.0
87.53533935546875	140.0
87.72164916992188	208.0
87.9156265258789	176.0
88.01082611083984	184.0
88.10598754882812	160.0
88.17147827148438	144.0
88.48080444335938	184.0
88.5076675415039	156.0
88.91122436523438	280.0
88.96076965332031	152.0
89.00508880615234	176.0
89.0343246459961	204.0
89.43936157226562	160.0
89.49571228027344	184.0
89.64197540283203	144.0
89.73700714111328	244.0
89.97850036621094	140.0
90.26725006103516	136.0
90.41703033447266	176.0
90.5011978149414	144.0
90.58364868164062	156.0
90.65564727783203	160.0
90.70492553710938	144.0
90.723876953125	164.0
90.94581604003906	168.0
91.01605224609375	268.0
91.05523681640625	8916.0
91.09109497070312	156.0
91.249755859375	172.0
91.65135192871094	156.0
91.71658325195312	140.0
91.87632751464844	196.0
91.97746276855469	240.0
92.05677032470703	1112.0
92.14360809326172	152.0
92.209228515625	200.0
92.26603698730469	188.0
92.4189224243164	224.0
92.67579650878906	124.0
92.73106384277344	168.0
92.85568237304688	200.0
92.87870025634766	176.0
93.0245361328125	148.0
93.11846160888672	156.0
93.23908996582031	96.0
93.36461639404297	164.0
93.3780746459961	168.0
93.62248992919922	192.0
93.7515640258789	140.0
94.06787109375	612.0
94.18180084228516	164.0
94.21849822998047	200.0
94.23395538330078	140.0
94.25328063964844	184.0
94.43165588378906	148.0
94.583984375	192.0
94.67691802978516	160.0
94.73889923095703	144.0
94.913330078125	180.0
95.02985382080078	572.0
95.06657409667969	204.0
95.37925720214844	148.0
95.643798828125	220.0
95.70414733886719	172.0
95.73140716552734	144.0
95.86351013183594	152.0
95.95742797851562	156.0
96.08087158203125	808.0
96.3497085571289	156.0
96.61558532714844	192.0
97.05037689208984	144.0
97.07978820800781	176.0
97.1817855834961	176.0
97.32379913330078	148.0
97.3447036743164	180.0
97.54707336425781	180.0
97.62178039550781	148.0
97.65821075439453	176.0
97.85396575927734	144.0
97.86774444580078	244.0
98.05921173095703	196.0
98.09700775146484	216.0
98.14359283447266	140.0
98.165283203125	148.0
98.27377319335938	160.0
98.48500061035156	140.0
98.5185775756836	144.0
98.59761047363281	188.0
98.91605377197266	184.0
99.07645416259766	160.0
99.1319351196289	168.0
99.14976501464844	168.0
99.28854370117188	152.0
99.78001403808594	188.0
99.92395782470703	108.0
100.15509796142578	172.0
100.25272369384766	236.0
100.40821838378906	140.0
100.52791595458984	144.0
100.54986572265625	192.0
100.69145202636719	144.0
100.7535400390625	144.0
100.9714126586914	152.0
101.10855102539062	124.0
101.1412124633789	120.0
101.1609115600586	152.0
101.34374237060547	208.0
101.39990234375	152.0
101.81377410888672	124.0
101.93366241455078	140.0
101.97813415527344	152.0
102.08039855957031	172.0
102.41886138916016	160.0
102.44872283935547	196.0
102.47801971435547	180.0
102.99935913085938	136.0
103.10852813720703	152.0
103.1505355834961	112.0
103.1812973022461	164.0
103.2015151977539	164.0
103.5293197631836	140.0
103.69342041015625	196.0
104.17024230957031	144.0
104.20274353027344	156.0
104.30638885498047	144.0
104.34907531738281	140.0
104.55655670166016	188.0
104.66444396972656	152.0
104.76220703125	180.0
104.81721496582031	164.0
104.85797119140625	164.0
104.92931365966797	164.0
105.07119750976562	632.0
105.33248138427734	144.0
105.50911712646484	168.0
105.82424926757812	132.0
105.99419403076172	144.0
106.04337310791016	152.0
106.07029724121094	268.0
106.24637603759766	196.0
106.34281921386719	148.0
106.70230102539062	212.0
106.7884750366211	176.0
106.84626007080078	144.0
107.08389282226562	172.0
107.15095520019531	180.0
107.25799560546875	140.0
107.28079223632812	160.0
107.37151336669922	152.0
107.47352600097656	176.0
107.53450012207031	176.0
108.22080993652344	184.0
108.75448608398438	100.0
109.02356719970703	140.0
109.04874420166016	192.0
109.06420135498047	144.0
109.32926177978516	148.0
109.3572769165039	136.0
109.40377807617188	160.0
109.45624542236328	208.0
109.48249053955078	232.0
109.54163360595703	156.0
109.57913208007812	272.0
109.68541717529297	164.0
109.74297332763672	124.0
109.88770294189453	148.0
109.92317199707031	180.0
109.93986511230469	180.0
109.98259735107422	168.0
110.03588104248047	164.0
110.2113265991211	140.0
110.58773803710938	176.0
110.74058532714844	184.0
110.92642974853516	192.0
111.08853149414062	180.0
111.17875671386719	180.0
111.28791046142578	156.0
111.31940460205078	160.0
111.36980438232422	164.0
111.43913269042969	164.0
111.51688385009766	156.0
111.75751495361328	168.0
111.84078979492188	152.0
112.06190490722656	188.0
112.27269744873047	152.0
112.35284423828125	148.0
112.57329559326172	120.0
112.61882019042969	156.0
112.794189453125	224.0
112.91259765625	164.0
113.19404602050781	228.0
113.47529602050781	232.0
113.54582977294922	160.0
113.66462707519531	196.0
113.70706939697266	148.0
113.8089599609375	144.0
114.02776336669922	148.0
114.10122680664062	224.0
114.17020416259766	140.0
114.18934631347656	176.0
114.22763061523438	144.0
114.28507232666016	164.0
114.32550048828125	156.0
114.42340850830078	152.0
114.49581146240234	152.0
114.54905700683594	240.0
114.59805297851562	224.0
114.713134765625	188.0
114.7396240234375	240.0
114.79969787597656	156.0
114.89866638183594	172.0
115.0769271850586	180.0
115.18685913085938	140.0
115.26590728759766	200.0
115.39201354980469	172.0
115.69727325439453	128.0
115.74076843261719	152.0
115.7910385131836	176.0
116.08221435546875	196.0
116.1672592163086	156.0
116.32390594482422	144.0
116.54080963134766	160.0
116.75576782226562	224.0
116.865478515625	164.0
117.0936508178711	160.0
117.3738021850586	212.0
117.4320297241211	152.0
117.55499267578125	164.0
117.76585388183594	188.0
117.8486557006836	164.0
118.02589416503906	140.0
118.06049346923828	176.0
118.11456298828125	168.0
118.48040008544922	144.0
118.8347396850586	152.0
119.38078308105469	160.0
119.56607055664062	152.0
119.99082946777344	152.0
120.08039855957031	1124.0
120.15585327148438	144.0
120.37509155273438	140.0
120.45128631591797	196.0
120.49308013916016	152.0
121.08683013916016	168.0
121.28276062011719	168.0
121.58323669433594	164.0
121.73690795898438	272.0
121.79620361328125	168.0
121.84233093261719	172.0
122.04137420654297	128.0
122.13690185546875	184.0
122.17649841308594	152.0
122.44503021240234	164.0
122.68807983398438	184.0
122.79627227783203	156.0
122.94768524169922	164.0
122.97164154052734	188.0
123.02477264404297	44228.0
123.15897369384766	200.0
123.2048568725586	144.0
123.22992706298828	152.0
123.26246643066406	124.0
123.30957794189453	120.0
123.3846206665039	176.0
123.52213287353516	216.0
123.5663833618164	180.0
123.89181518554688	148.0
124.02864837646484	4516.0
124.07797241210938	188.0
124.11602783203125	180.0
124.17554473876953	220.0
124.21102905273438	200.0
124.5884017944336	148.0
124.6395034790039	224.0
124.73062133789062	160.0
124.83301544189453	164.0
124.98637390136719	140.0
125.03558349609375	288.0
125.16667175292969	140.0
125.4451675415039	152.0
125.6235580444336	156.0
125.84003448486328	184.0
125.92284393310547	144.0
125.97850036621094	180.0
126.09468841552734	144.0
126.31156921386719	168.0
126.49729919433594	172.0
126.57117462158203	156.0
126.59580993652344	168.0
126.63163757324219	168.0
126.7638168334961	252.0
126.8310546875	176.0
127.0732421875	152.0
127.23258972167969	164.0
127.25054931640625	184.0
127.60102844238281	172.0
127.69322204589844	184.0
127.71347045898438	184.0
127.79669952392578	176.0
127.87321472167969	168.0
128.07359313964844	140.0
128.23806762695312	160.0
129.13214111328125	144.0
129.1615447998047	184.0
129.30409240722656	208.0
129.324462890625	156.0
129.38140869140625	152.0
129.4036865234375	140.0
129.54183959960938	156.0
129.6959228515625	160.0
129.77938842773438	152.0
129.904541015625	172.0
129.9294891357422	176.0
130.05099487304688	136.0
130.07546997070312	256.0
130.1026611328125	156.0
130.14964294433594	232.0
130.37704467773438	188.0
130.41770935058594	240.0
130.5313720703125	192.0
130.60870361328125	144.0
130.65875244140625	100.0
130.83761596679688	168.0
130.9615020751953	200.0
131.05291748046875	180.0
131.26483154296875	116.0
132.0135955810547	152.0
132.05398559570312	152.0
132.1691436767578	180.0
132.24349975585938	204.0
132.3512725830078	140.0
132.425537109375	204.0
132.74179077148438	140.0
132.76243591308594	148.0
132.84852600097656	132.0
132.85816955566406	108.0
132.8656463623047	212.0
133.28350830078125	196.0
133.94839477539062	184.0
134.0463409423828	156.0
134.07049560546875	184.0
134.09449768066406	604.0
134.22955322265625	164.0
134.51072692871094	152.0
134.62977600097656	156.0
134.76968383789062	156.0
134.90719604492188	284.0
135.04660034179688	152.0
135.08404541015625	192.0
135.1454620361328	156.0
135.3224639892578	148.0
135.34793090820312	148.0
135.37803649902344	168.0
135.40814208984375	184.0
135.58189392089844	196.0
135.70677185058594	128.0
135.73025512695312	160.0
136.01097106933594	184.0
136.0539093017578	496.0
136.0759735107422	264.0
136.57699584960938	152.0
136.8492889404297	176.0
137.06214904785156	156.0
137.6943359375	232.0
138.067626953125	164.0
138.1618194580078	144.0
138.3794708251953	208.0
138.40756225585938	148.0
139.0086212158203	172.0
139.07896423339844	236.0
139.1320343017578	164.0
139.24473571777344	156.0
139.85423278808594	192.0
140.00396728515625	120.0
140.1127166748047	188.0
140.14065551757812	168.0
141.0694122314453	120.0
141.46824645996094	168.0
141.51499938964844	172.0
141.6329345703125	148.0
141.7548370361328	172.0
141.79986572265625	152.0
141.9136505126953	176.0
141.94447326660156	160.0
142.23390197753906	224.0
142.27188110351562	164.0
142.45948791503906	180.0
142.495849609375	144.0
142.54379272460938	176.0
142.62582397460938	152.0
142.6488037109375	144.0
142.87551879882812	140.0
142.97544860839844	256.0
143.0587615966797	140.0
143.16827392578125	284.0
143.80482482910156	144.0
143.9982147216797	160.0
144.0546875	156.0
144.08059692382812	404.0
144.11766052246094	164.0
144.15711975097656	196.0
144.4560089111328	156.0
144.51934814453125	152.0
144.57431030273438	148.0
144.6270294189453	144.0
144.69293212890625	116.0
144.81857299804688	156.0
144.94554138183594	164.0
145.0714874267578	272.0
145.08981323242188	408.0
145.50753784179688	116.0
145.533203125	156.0
146.07444763183594	168.0
146.09788513183594	332.0
146.45538330078125	156.0
146.64627075195312	172.0
146.8688201904297	212.0
147.0612335205078	300.0
147.36610412597656	176.0
148.0506591796875	200.0
148.1405487060547	180.0
148.59226989746094	148.0
148.78533935546875	160.0
148.81893920898438	176.0
148.9091796875	144.0
149.0845947265625	188.0
149.21221923828125	224.0
149.24484252929688	124.0
149.40504455566406	156.0
149.61920166015625	156.0
149.69224548339844	252.0
149.928466796875	140.0
149.9756622314453	144.0
150.006591796875	164.0
150.08834838867188	168.0
150.3743438720703	96.0
150.4505157470703	144.0
150.4846954345703	220.0
150.76902770996094	120.0
150.98480224609375	96.0
151.02230834960938	216.0
151.0758514404297	7272.0
151.210693359375	168.0
151.47512817382812	148.0
151.6503143310547	228.0
151.72264099121094	160.0
151.84649658203125	220.0
151.9712371826172	132.0
152.07827758789062	1344.0
152.12741088867188	208.0
152.16128540039062	176.0
152.22735595703125	144.0
152.48110961914062	188.0
152.6089324951172	164.0
153.03211975097656	196.0
153.0493621826172	144.0
153.090576171875	152.0
153.50131225585938	172.0
153.91976928710938	204.0
153.99632263183594	148.0
154.1593780517578	172.0
154.25823974609375	156.0
154.282958984375	192.0
154.33734130859375	160.0
154.42637634277344	152.0
154.4436798095703	180.0
154.69113159179688	208.0
154.74806213378906	144.0
154.9214324951172	204.0
155.05039978027344	156.0
155.13453674316406	240.0
155.2075958251953	96.0
155.2516326904297	196.0
155.33428955078125	232.0
155.39163208007812	128.0
155.45697021484375	192.0
155.51405334472656	148.0
155.56617736816406	144.0
155.68536376953125	148.0
155.83688354492188	252.0
155.85675048828125	160.0
155.91571044921875	188.0
156.0953826904297	156.0
156.21519470214844	136.0
156.67031860351562	184.0
156.7893829345703	148.0
156.8763885498047	116.0
156.96192932128906	144.0
157.00680541992188	164.0
157.0367431640625	184.0
157.1040802001953	192.0
157.17144775390625	160.0
157.3386688232422	140.0
157.7608642578125	156.0
157.98342895507812	144.0
158.0459747314453	168.0
158.06927490234375	228.0
158.32131958007812	152.0
158.8590850830078	204.0
159.06414794921875	220.0
159.0863037109375	120.0
159.12820434570312	172.0
159.1764373779297	152.0
159.47288513183594	148.0
159.51560974121094	180.0
159.61618041992188	152.0
159.7494659423828	180.0
159.8012237548828	160.0
159.86268615722656	212.0
160.01344299316406	148.0
160.0561065673828	200.0
160.08560180664062	152.0
160.11410522460938	180.0
160.17991638183594	200.0
160.25045776367188	140.0
160.56199645996094	156.0
160.81784057617188	172.0
161.02235412597656	164.0
161.05628967285156	364.0
161.0781707763672	148.0
161.62652587890625	168.0
161.8087615966797	180.0
161.84674072265625	164.0
161.8948516845703	152.0
162.00375366210938	144.0
162.0735321044922	196.0
162.61935424804688	160.0
162.6986083984375	168.0
162.8865203857422	168.0
162.91192626953125	148.0
163.00990295410156	160.0
163.03134155273438	152.0
163.0721893310547	292.0
163.2982940673828	172.0
163.39013671875	256.0
163.43057250976562	168.0
163.8634033203125	180.0
163.9092559814453	168.0
163.95062255859375	228.0
164.0263671875	160.0
164.12969970703125	108.0
164.19732666015625	164.0
164.2177276611328	152.0
164.33251953125	296.0
164.37844848632812	140.0
164.59280395507812	184.0
164.62342834472656	232.0
164.67759704589844	176.0
164.86874389648438	140.0
164.8994140625	144.0
164.9256134033203	160.0
164.9716796875	176.0
165.00762939453125	292.0
165.0172882080078	364.0
165.07257080078125	256056.0
165.15228271484375	200.0
165.1854248046875	160.0
165.235107421875	128.0
165.29408264160156	216.0
165.3241424560547	204.0
165.35202026367188	180.0
165.4082489013672	136.0
165.4529571533203	208.0
165.4918212890625	948.0
165.5380096435547	104.0
165.62428283691406	120.0
165.65960693359375	200.0
165.68629455566406	148.0
165.74012756347656	144.0
165.8448944091797	120.0
165.92739868164062	172.0
166.0364532470703	188.0
166.07559204101562	31428.0
166.1519012451172	120.0
166.2258758544922	124.0
166.2575225830078	108.0
166.48191833496094	360.0
166.78761291503906	156.0
166.84237670898438	140.0
166.8883819580078	112.0
166.94009399414062	156.0
166.9876251220703	372.0
167.02732849121094	200.0
167.07752990722656	1876.0
167.10861206054688	196.0
167.16796875	184.0
167.20217895507812	132.0
167.2542724609375	132.0
167.29263305664062	268.0
167.32144165039062	140.0
167.36093139648438	248.0
167.4261016845703	160.0
167.50259399414062	96.0
167.5552520751953	152.0
167.6329803466797	156.0
168.0782470703125	176.0
168.12936401367188	120.0
168.1588134765625	144.0
168.1829833984375	112.0
168.36941528320312	144.0
169.0662078857422	116.0
169.1524200439453	164.0
169.50857543945312	204.0
169.671875	140.0
169.71124267578125	148.0
169.73150634765625	188.0
169.85598754882812	144.0
169.9831085205078	164.0
170.18698120117188	228.0
170.69639587402344	164.0
170.9979705810547	124.0
171.05691528320312	172.0
171.08782958984375	200.0
171.12286376953125	144.0
171.2402801513672	176.0
171.31956481933594	156.0
171.52796936035156	180.0
171.78350830078125	240.0
171.83567810058594	164.0
172.06552124023438	380.0
172.11207580566406	3488.0
172.15151977539062	164.0
172.391845703125	148.0
172.71865844726562	152.0
173.06982421875	308.0
173.1126708984375	708.0
173.2683868408203	140.0
173.3574676513672	156.0
173.71458435058594	96.0
173.80323791503906	152.0
173.8268585205078	164.0
173.88174438476562	140.0
174.0689697265625	948.0
174.14031982421875	128.0
174.3599395751953	160.0
174.90963745117188	208.0
175.07281494140625	384.0
175.8677978515625	136.0
175.9059295654297	104.0
176.08355712890625	496.0
176.2625732421875	160.0
176.3788604736328	184.0
176.50311279296875	152.0
176.59742736816406	168.0
176.83433532714844	172.0
176.90525817871094	160.0
177.05296325683594	176.0
177.09120178222656	724.0
177.16212463378906	160.0
177.29762268066406	260.0
177.4218292236328	152.0
177.5650177001953	144.0
177.6119384765625	104.0
177.6800537109375	108.0
177.82237243652344	184.0
177.86749267578125	140.0
177.9073028564453	144.0
178.06297302246094	136.0
178.60264587402344	248.0
178.631591796875	220.0
178.72854614257812	176.0
178.8243408203125	144.0
179.0713653564453	500.0
179.12522888183594	148.0
179.39703369140625	168.0
179.48712158203125	180.0
179.5251007080078	120.0
179.54901123046875	156.0
179.86163330078125	164.0
179.98931884765625	168.0
180.0734100341797	164.0
180.16558837890625	188.0
180.2083282470703	168.0
180.7006072998047	160.0
180.8217010498047	160.0
180.92776489257812	152.0
181.0113525390625	128.0
181.10398864746094	236.0
181.1305694580078	132.0
182.09686279296875	232.0
182.12371826171875	240.0
182.1495361328125	144.0
182.21774291992188	160.0
182.540283203125	172.0
182.66668701171875	304.0
182.75277709960938	200.0
183.24424743652344	112.0
183.4954071044922	224.0
183.6174774169922	144.0
183.6768035888672	144.0
184.0920867919922	120.0
184.16806030273438	168.0
184.2166748046875	164.0
184.32205200195312	164.0
184.3801727294922	148.0
184.45654296875	360.0
184.99819946289062	176.0
185.0316619873047	176.0
185.0712890625	144.0
185.09408569335938	308.0
185.11587524414062	164.0
185.36383056640625	148.0
185.51351928710938	140.0
185.55007934570312	128.0
185.71897888183594	212.0
185.7895050048828	152.0
186.06088256835938	144.0
186.1033477783203	312.0
186.125244140625	848.0
186.16343688964844	104.0
186.19937133789062	176.0
186.29986572265625	148.0
186.57705688476562	172.0
186.5988006591797	140.0
186.876220703125	144.0
186.9197540283203	160.0
187.08651733398438	8000.0
187.1309051513672	208.0
187.39816284179688	176.0
187.5169677734375	160.0
187.77243041992188	144.0
187.80880737304688	176.0
188.08456420898438	1100.0
188.14419555664062	664.0
188.44593811035156	180.0
188.58602905273438	184.0
188.62628173828125	160.0
188.67623901367188	192.0
189.09210205078125	4340.0
189.1486053466797	224.0
189.55638122558594	176.0
189.5822296142578	180.0
189.83990478515625	148.0
189.94412231445312	160.0
190.0291748046875	232.0
190.0504150390625	160.0
190.09628295898438	860.0
190.2459716796875	176.0
190.35031127929688	140.0
190.4162139892578	176.0
190.45547485351562	136.0
190.49037170410156	168.0
190.88064575195312	148.0
191.0401611328125	168.0
191.0714111328125	712.0
191.10592651367188	280.0
191.3228759765625	200.0
191.38311767578125	124.0
191.49598693847656	160.0
191.7891387939453	148.0
192.07664489746094	1324.0
192.1488494873047	136.0
192.3849639892578	304.0
192.9239959716797	128.0
193.05084228515625	156.0
193.0807342529297	588.0
193.2878875732422	132.0
193.32955932617188	180.0
193.3707733154297	148.0
193.39328002929688	208.0
193.49783325195312	156.0
193.52052307128906	124.0
193.6250762939453	104.0
193.67759704589844	156.0
193.75164794921875	164.0
193.78158569335938	164.0
193.81246948242188	108.0
193.83309936523438	340.0
193.8697052001953	204.0
193.89926147460938	120.0
193.97024536132812	236.0
194.0059356689453	148.0
194.0168914794922	160.0
194.0278778076172	204.0
194.04864501953125	660.0
194.06857299804688	888.0
194.0995330810547	208756.0
194.2557373046875	144.0
194.28372192382812	160.0
194.3186492919922	96.0
194.37437438964844	128.0
194.40611267089844	380.0
194.52381896972656	544.0
194.5557861328125	6100.0
194.58993530273438	636.0
194.6407470703125	128.0
194.66053771972656	184.0
194.70379638671875	112.0
194.77464294433594	212.0
194.8123016357422	216.0
194.83653259277344	172.0
194.91043090820312	180.0
195.0083465576172	156.0
195.10159301757812	42256.0
195.28057861328125	136.0
195.3963623046875	148.0
195.42149353027344	128.0
195.43943786621094	192.0
195.5962677001953	104.0
195.76109313964844	212.0
195.82858276367188	116.0
195.90419006347656	96.0
195.93539428710938	104.0
196.01930236816406	124.0
196.1039276123047	2948.0
196.16455078125	224.0
196.23040771484375	212.0
196.27980041503906	104.0
196.36849975585938	148.0
196.39622497558594	116.0
196.43031311035156	256.0
196.48825073242188	356.0
196.50863647460938	232.0
196.56314086914062	152.0
196.6035614013672	140.0
196.6458282470703	140.0
196.6758270263672	156.0
196.7217559814453	224.0
196.74285888671875	280.0
196.80621337890625	136.0
197.0029296875	128.0
197.0966796875	596.0
197.38877868652344	260.0
197.46438598632812	148.0
197.51943969726562	172.0
197.59420776367188	108.0
198.06997680664062	136.0
198.10397338867188	488.0
198.57345581054688	164.0
198.87249755859375	116.0
199.08917236328125	444.0
199.09490966796875	224.0
200.0063934326172	140.0
200.03172302246094	148.0
200.08657836914062	168.0
200.11810302734375	240.0
201.0927734375	1232.0
201.14797973632812	160.0
201.50946044921875	180.0
201.59483337402344	160.0
201.93629455566406	300.0
202.0579376220703	176.0
202.09654235839844	764.0
202.96446228027344	112.0
203.00396728515625	152.0
203.06961059570312	484.0
203.1077423095703	920.0
203.48065185546875	144.0
203.6729278564453	152.0
203.86978149414062	140.0
203.90577697753906	132.0
204.08018493652344	208.0
204.11619567871094	352.0
204.4470672607422	140.0
204.96629333496094	144.0
205.00523376464844	140.0
205.04257202148438	272.0
205.08583068847656	1752.0
205.1269073486328	368.0
206.08596801757812	432.0
206.12110900878906	160.0
206.19044494628906	244.0
206.51588439941406	116.0
207.0989227294922	228.0
207.1709747314453	396.0
207.36582946777344	204.0
207.4362335205078	180.0
207.57638549804688	104.0
207.8619384765625	156.0
208.1202850341797	184.0
208.50302124023438	156.0
208.8289794921875	116.0
208.90695190429688	160.0
208.9422607421875	140.0
209.09832763671875	620.0
209.35098266601562	148.0
209.96481323242188	188.0
210.09677124023438	96.0
210.1927032470703	168.0
210.4553680419922	152.0
210.5052490234375	148.0
210.54412841796875	152.0
210.6305694580078	152.0
210.79331970214844	140.0
211.07431030273438	136.0
211.1107940673828	360.0
211.13607788085938	312.0
212.08035278320312	384.0
212.1182403564453	1404.0
213.0901336669922	312.0
213.12586975097656	340.0
213.37200927734375	144.0
213.51541137695312	152.0
214.04795837402344	168.0
214.09844970703125	384.0
214.14324951171875	160.0
214.38003540039062	180.0
214.50535583496094	160.0
214.73690795898438	164.0
215.10586547851562	808.0
215.41287231445312	168.0
215.71385192871094	220.0
216.1119842529297	1092.0
217.0862579345703	252.0
217.12135314941406	1476.0
217.20611572265625	136.0
217.39794921875	144.0
217.90003967285156	148.0
218.017578125	148.0
218.08984375	300.0
218.12599182128906	288.0
218.2027587890625	144.0
218.911865234375	148.0
219.10118103027344	900.0
220.10906982421875	288.0
220.14154052734375	188.0
220.51377868652344	156.0
220.63497924804688	176.0
220.74436950683594	144.0
221.09423828125	164.0
221.25624084472656	236.0
221.62281799316406	176.0
221.7953643798828	160.0
222.1032257080078	548.0
222.2580108642578	140.0
222.34979248046875	112.0
222.3915557861328	152.0
222.62905883789062	144.0
222.83995056152344	164.0
222.86965942382812	152.0
222.9588165283203	176.0
223.07769775390625	160.0
223.11026000976562	388.0
223.46133422851562	140.0
224.12086486816406	800.0
224.68580627441406	160.0
224.76637268066406	188.0
225.09446716308594	100.0
225.1270294189453	144.0
225.6939239501953	156.0
226.0999755859375	768.0
226.2727508544922	140.0
226.64413452148438	204.0
227.1071319580078	740.0
227.94039916992188	336.0
228.11285400390625	964.0
228.9422149658203	116.0
229.02944946289062	160.0
229.0845489501953	384.0
229.11949157714844	1136.0
229.5689239501953	152.0
230.09201049804688	328.0
230.13665771484375	384.0
230.2207489013672	176.0
231.018310546875	164.0
231.1021270751953	296.0
231.13890075683594	1104.0
231.29403686523438	180.0
231.4886474609375	172.0
232.14085388183594	336.0
232.62779235839844	140.0
233.11781311035156	1320.0
233.1524658203125	204.0
233.1805877685547	140.0
234.11973571777344	300.0
234.15614318847656	172.0
235.13279724121094	152.0
235.30677795410156	192.0
236.5142822265625	168.0
237.0839385986328	172.0
237.11383056640625	460.0
237.540771484375	144.0
238.1028594970703	304.0
238.24374389648438	144.0
238.69862365722656	352.0
238.73245239257812	152.0
239.1112823486328	324.0
240.11355590820312	1068.0
240.1614532470703	196.0
241.0867462158203	248.0
241.1232452392578	2080.0
241.1710968017578	168.0
241.6390838623047	132.0
242.0940704345703	328.0
242.12242126464844	1060.0
242.19215393066406	144.0
242.25277709960938	112.0
242.3005828857422	148.0
242.32846069335938	188.0
242.75997924804688	128.0
242.91256713867188	116.0
243.1000213623047	436.0
243.138671875	17424.0
243.36273193359375	136.0
243.40785217285156	368.0
244.1121368408203	144.0
244.14122009277344	2676.0
244.9473114013672	152.0
245.0563507080078	152.0
245.1185760498047	956.0
245.14553833007812	760.0
246.08358764648438	100.0
246.1278076171875	980.0
247.1305389404297	132.0
247.42996215820312	196.0
247.5350799560547	188.0
247.57398986816406	144.0
247.7807159423828	148.0
248.34495544433594	160.0
249.06544494628906	96.0
249.47222900390625	160.0
249.9943389892578	172.0
250.30282592773438	160.0
250.54849243164062	152.0
250.6079864501953	104.0
251.178955078125	188.0
251.45977783203125	148.0
251.99026489257812	144.0
252.2796173095703	124.0
252.78707885742188	152.0
253.12136840820312	868.0
253.47225952148438	156.0
253.8121337890625	184.0
254.1235809326172	492.0
255.13967895507812	1368.0
255.79507446289062	120.0
255.87222290039062	148.0
256.1376647949219	500.0
256.2735290527344	184.0
256.6206970214844	164.0
256.9047546386719	152.0
257.1349792480469	336.0
257.1499938964844	252.0
257.30841064453125	152.0
257.33160400390625	152.0
257.39947509765625	148.0
257.4906921386719	128.0
258.1311340332031	152.0
258.2452087402344	148.0
258.48138427734375	128.0
258.7967529296875	140.0
259.07672119140625	164.0
259.1343688964844	1356.0
259.240478515625	204.0
259.2708435058594	140.0
259.4342956542969	196.0
259.700439453125	144.0
260.1341552734375	304.0
260.1662292480469	248.0
260.7650146484375	112.0
260.82122802734375	120.0
261.1451110839844	500.0
261.1940002441406	148.0
261.3001708984375	148.0
261.6026916503906	160.0
261.679931640625	160.0
262.1888732910156	196.0
262.61639404296875	152.0
262.903076171875	104.0
263.0342102050781	176.0
263.2211608886719	148.0
263.3374328613281	160.0
263.4472351074219	152.0
264.37841796875	180.0
264.9582824707031	144.0
266.4601135253906	140.0
267.1395568847656	148.0
267.8100891113281	148.0
267.9664611816406	244.0
268.05767822265625	180.0
268.1378479003906	268.0
268.2434387207031	156.0
268.7652587890625	184.0
269.0720520019531	144.0
269.70904541015625	140.0
269.8954772949219	176.0
270.0086975097656	172.0
270.1482849121094	2844.0
270.1995544433594	172.0
270.3304443359375	156.0
271.1389465332031	764.0
271.6868896484375	196.0
271.8601379394531	252.0
271.8837585449219	176.0
272.13446044921875	336.0
272.1605529785156	472.0
272.3910217285156	112.0
273.00909423828125	196.0
273.1487731933594	3752.0
273.3315734863281	96.0
273.642333984375	152.0
274.1489562988281	1192.0
274.6903076171875	164.0
274.777099609375	296.0
275.15069580078125	140.0
275.6096496582031	128.0
276.1700744628906	148.0
276.9270324707031	172.0
277.2937927246094	172.0
277.4847412109375	180.0
279.1353454589844	124.0
279.3377990722656	156.0
279.504150390625	192.0
280.13671875	140.0
280.20001220703125	164.0
280.6132507324219	148.0
280.6966247558594	144.0
280.92340087890625	168.0
281.1903381347656	140.0
282.5823059082031	164.0
283.3437805175781	204.0
283.8364562988281	144.0
284.12994384765625	112.0
284.8365783691406	148.0
284.886962890625	248.0
285.11541748046875	152.0
285.3910827636719	160.0
286.1385803222656	528.0
286.30633544921875	164.0
286.34674072265625	192.0
286.5151672363281	140.0
286.8016052246094	208.0
286.88250732421875	280.0
287.1424255371094	180.0
287.4794921875	140.0
288.1591491699219	10472.0
288.2493896484375	188.0
288.59417724609375	216.0
288.6749572753906	120.0
288.79705810546875	176.0
289.1629638671875	2648.0
289.2030944824219	160.0
290.1646728515625	452.0
290.7553405761719	152.0
291.1083984375	172.0
291.1735534667969	172.0
291.9647521972656	148.0
292.0123596191406	180.0
292.2381286621094	120.0
292.32196044921875	140.0
292.68310546875	124.0
293.2511901855469	120.0
293.3105773925781	140.0
293.35052490234375	156.0
293.43121337890625	196.0
294.4150390625	140.0
294.7839660644531	152.0
294.8557434082031	192.0
295.138427734375	104.0
295.4678039550781	148.0
295.8134460449219	176.0
296.0359802246094	172.0
296.111328125	172.0
296.3682556152344	148.0
296.45733642578125	228.0
298.69927978515625	164.0
298.98101806640625	100.0
299.0364990234375	144.0
300.1492004394531	164.0
300.624267578125	188.0
300.82196044921875	184.0
300.9013671875	172.0
301.1223449707031	148.0
301.2239685058594	248.0
302.1019287109375	120.0
302.1766357421875	212.0
303.7840881347656	144.0
304.9959716796875	144.0
305.1473083496094	172.0
306.1475524902344	148.0
307.214111328125	160.0
307.618896484375	140.0
309.1008605957031	652.0
309.5102844238281	152.0
309.5859680175781	156.0
309.8920593261719	204.0
310.0953063964844	248.0
310.5967102050781	148.0
311.0978088378906	196.0
311.945068359375	172.0
312.345947265625	152.0
313.007568359375	180.0
313.7933044433594	144.0
314.2240295410156	124.0
314.2870788574219	148.0
314.46978759765625	144.0
314.8483581542969	144.0
314.888916015625	132.0
314.9719543457031	208.0
315.0072937011719	164.0
316.4891052246094	188.0
316.9495849609375	144.0
317.343017578125	152.0
317.71185302734375	172.0
317.7998046875	124.0
319.1679992675781	184.0
319.2782287597656	232.0
320.1585693359375	184.0
321.5333557128906	212.0
321.6261291503906	160.0
321.8010559082031	148.0
323.35870361328125	188.0
324.2750244140625	148.0
324.3696594238281	172.0
325.3848876953125	156.0
326.0401916503906	176.0
326.1385803222656	108.0
326.9592590332031	140.0
327.1110534667969	160.0
327.3840637207031	140.0
328.526611328125	232.0
328.6673278808594	212.0
329.1582336425781	140.0
330.30322265625	136.0
330.88287353515625	148.0
331.5276184082031	132.0
332.0219421386719	180.0
332.64276123046875	144.0
333.0078125	140.0
333.06005859375	228.0
333.2729797363281	164.0
333.4147033691406	180.0
333.94549560546875	160.0
333.98187255859375	228.0
334.18560791015625	152.0
334.5495300292969	156.0
335.2118225097656	124.0
335.6520690917969	104.0
336.1947021484375	140.0
336.5547180175781	152.0
337.0386047363281	164.0
337.1850280761719	176.0
337.5266418457031	152.0
338.3681640625	216.0
338.415771484375	152.0
338.9981689453125	168.0
339.144775390625	164.0
339.2657470703125	160.0
339.9295959472656	180.0
340.17181396484375	160.0
343.20697021484375	140.0
343.45037841796875	144.0
343.7049255371094	148.0
343.9595642089844	140.0
344.7055969238281	160.0
345.33038330078125	160.0
345.5769958496094	144.0
346.1783447265625	472.0
346.34588623046875	140.0
347.1920471191406	136.0
347.7052001953125	228.0
349.5670166015625	196.0
350.2127380371094	160.0
351.1204528808594	140.0
352.2209167480469	560.0
352.329833984375	200.0
352.87548828125	140.0
353.79205322265625	164.0
354.37255859375	192.0
355.2332763671875	152.0
355.9403991699219	180.0
357.7525634765625	144.0
357.873046875	168.0
358.24212646484375	180.0
358.9808349609375	140.0
360.19232177734375	224.0
360.4966735839844	124.0
360.81207275390625	184.0
361.0578308105469	160.0
361.8108215332031	184.0
361.9930114746094	104.0
362.087890625	160.0
362.16217041015625	280.0
362.2102355957031	6912.0
362.2842102050781	148.0
362.8450622558594	216.0
363.2124328613281	1040.0
363.29888916015625	168.0
363.3591003417969	160.0
363.47674560546875	140.0
363.69366455078125	148.0
363.7555236816406	192.0
364.1898498535156	1756.0
364.2298278808594	408.0
364.7127380371094	180.0
364.7652587890625	112.0
364.8168640136719	152.0
364.901123046875	164.0
365.19793701171875	888.0
365.2640686035156	212.0
366.0937805175781	168.0
366.201904296875	180.0
366.6476135253906	148.0
367.1943359375	232.0
367.2650146484375	160.0
367.7159423828125	104.0
368.5158996582031	152.0
368.58056640625	152.0
369.20233154296875	120.0
369.5673522949219	172.0
369.7127685546875	140.0
370.979736328125	152.0
371.2385559082031	124.0
371.4138488769531	148.0
372.1967468261719	156.0
372.3311462402344	184.0
373.28033447265625	144.0
373.38800048828125	164.0
373.70343017578125	184.0
374.1376037597656	248.0
374.6102294921875	176.0
374.7275695800781	160.0
375.2921447753906	124.0
375.5062255859375	156.0
375.62060546875	124.0
375.7492370605469	164.0
376.00152587890625	104.0
376.0926818847656	196.0
376.2586669921875	188.0
376.3958740234375	160.0
376.44012451171875	196.0
376.82659912109375	204.0
376.88433837890625	160.0
376.9306945800781	140.0
377.36456298828125	196.0
377.505859375	132.0
377.55084228515625	124.0
377.6459045410156	168.0
377.86444091796875	176.0
378.0144958496094	412.0
378.0745849609375	128.0
378.1369934082031	112.0
378.1508483886719	300.0
378.16156005859375	148.0
378.2079162597656	1176.0
378.2834167480469	232.0
378.2994689941406	176.0
378.3765869140625	228.0
378.47833251953125	128.0
378.532470703125	144.0
378.56793212890625	128.0
378.719482421875	116.0
378.76617431640625	156.0
378.8340148925781	224.0
378.9073181152344	216.0
378.95782470703125	268.0
379.0176086425781	312.0
379.0348205566406	236.0
379.0677490234375	484.0
379.1363830566406	256.0
379.1422119140625	176.0
379.212158203125	368.0
379.2921447753906	136.0
379.3016662597656	280.0
379.3517761230469	196.0
379.4077453613281	596.0
379.4643249511719	508.0
379.50006103515625	356.0
379.55487060546875	140.0
379.64056396484375	232.0
379.7171936035156	220.0
379.7569580078125	204.0
379.8045959472656	344.0
379.8359680175781	476.0
379.8690185546875	428.0
379.8746032714844	404.0
379.934814453125	352.0
379.99993896484375	380.0
380.0417175292969	584.0
380.0863342285156	644.0
380.12884521484375	832.0
380.1795959472656	161360.0
380.2250671386719	240632.0
380.3139953613281	156.0
380.3610534667969	328.0
380.4378662109375	216.0
380.4866943359375	224.0
380.5771484375	416.0
380.594970703125	340.0
380.74713134765625	216.0
380.81707763671875	3800.0
380.8656921386719	9500.0
380.902587890625	524.0
380.948486328125	444.0
381.0593566894531	280.0
381.18109130859375	54828.0
381.22711181640625	134716.0
381.3278503417969	156.0
381.39324951171875	104.0
381.47705078125	180.0
381.5278015136719	256.0
381.5635070800781	424.0
381.6023864746094	296.0
381.6482849121094	236.0
381.67877197265625	112.0
381.708984375	224.0
381.786376953125	228.0
381.8204650878906	220.0
381.8648681640625	692.0
381.94305419921875	268.0
382.0270080566406	136.0
382.0791320800781	212.0
382.09808349609375	288.0
382.1086120605469	292.0
382.1244201660156	224.0
382.1831970214844	7240.0
382.2290954589844	19928.0
382.3810119628906	160.0
382.44610595703125	96.0
382.4808044433594	228.0
382.5652160644531	108.0
382.6295471191406	112.0
382.6708984375	144.0
382.7320251464844	204.0
382.7647705078125	120.0
382.80523681640625	248.0
382.8674621582031	172.0
382.9129638671875	232.0
382.98565673828125	188.0
383.0833740234375	104.0
383.1360168457031	156.0
383.1892395019531	884.0
383.2317199707031	1796.0
383.28436279296875	284.0
383.3207702636719	248.0
383.3343200683594	180.0
383.382568359375	208.0
383.3981628417969	272.0
383.43438720703125	300.0
383.49005126953125	436.0
383.5233154296875	164.0
383.61822509765625	232.0
383.6543273925781	220.0
383.70452880859375	316.0
383.75213623046875	252.0
383.81011962890625	372.0
383.8565979003906	236.0
383.890380859375	164.0
383.9356384277344	132.0
384.0369873046875	212.0
384.1395263671875	124.0
384.2355651855469	164.0
384.3826904296875	120.0
384.439208984375	256.0
384.4910888671875	184.0
384.6199645996094	116.0
384.7149963378906	284.0
384.7516174316406	160.0
384.7914733886719	128.0
384.8700866699219	116.0
385.0579528808594	96.0
385.2194519042969	140.0
385.26763916015625	112.0
385.8594970703125	156.0
386.2080993652344	148.0
386.33294677734375	104.0
387.3703918457031	116.0
387.47955322265625	116.0
389.83624267578125	168.0
391.4504699707031	116.0
393.04156494140625	112.0
394.29949951171875	128.0
394.3732604980469	208.0
394.4420471191406	168.0
395.0470886230469	108.0
395.4671936035156	108.0
397.5149841308594	120.0
397.59375	104.0
399.2965393066406	116.0
400.1890869140625	104.0
401.1627197265625	116.0
448.00152587890625	152.0
448.3259582519531	140.0
455.1194152832031	140.0
461.8230895996094	120.0
468.147216796875	120.0
492.77081298828125	120.0
493.883056640625	152.0
498.507080078125	148.0
508.95068359375	164.0
551.3215942382812	140.0
570.5198974609375	140.0
593.72412109375	116.0
655.043212890625	148.0
675.1651611328125	140.0
882.4949951171875	180.0
956.9832153320312	156.0
989.7286376953125	176.0
1049.480224609375	148.0
1087.203125	164.0
1098.6319580078125	152.0
1107.906982421875	208.0
1120.10986328125	172.0
1123.08935546875	196.0
1153.108642578125	208.0
1159.1925048828125	160.0
1180.0137939453125	176.0
1203.75341796875	148.0
1206.4410400390625	144.0
1258.5137939453125	140.0
1265.0250244140625	184.0
1282.8197021484375	144.0
1282.947998046875	180.0
1283.8856201171875	228.0
1291.6312255859375	224.0
1316.3978271484375	152.0
1332.97900390625	156.0
1342.8797607421875	148.0
1346.843017578125	160.0
1364.2242431640625	200.0
1364.5771484375	152.0
1376.853271484375	188.0
1380.0233154296875	216.0
1380.39306640625	144.0
1381.2213134765625	140.0
1381.7169189453125	144.0
1390.96533203125	184.0
1391.351318359375	204.0
1392.19775390625	140.0
1401.3692626953125	152.0
1402.598876953125	156.0
1410.212158203125	192.0
1412.38037109375	144.0
1414.804931640625	164.0
1416.7669677734375	244.0
1419.0152587890625	204.0
1419.840087890625	160.0
1423.0367431640625	212.0
1424.463623046875	164.0
1441.3621826171875	140.0
1446.3839111328125	164.0
1447.8602294921875	176.0
1448.920654296875	172.0
1450.3756103515625	144.0
1455.1319580078125	184.0
1464.3939208984375	168.0
1479.26806640625	176.0
1479.482421875	192.0
1485.9505615234375	200.0
1493.4095458984375	160.0
1493.5250244140625	140.0
1494.617431640625	148.0
1496.8111572265625	156.0
1510.0382080078125	176.0
1513.69091796875	172.0
1515.2786865234375	144.0
1520.419677734375	164.0
1521.9876708984375	152.0
1528.6336669921875	148.0
1539.5394287109375	144.0
1544.0877685546875	148.0
1551.2520751953125	148.0
1554.9542236328125	236.0
1556.210205078125	196.0
1556.9561767578125	148.0
1564.583251953125	140.0
1565.583251953125	152.0
1565.8431396484375	208.0
1571.2425537109375	252.0
1575.497802734375	172.0
1579.01513671875	188.0
1580.4627685546875	184.0
1583.2095947265625	180.0
1596.4384765625	148.0
1596.5260009765625	240.0
1598.59423828125	216.0
1600.528564453125	196.0
1606.4022216796875	160.0
1609.61865234375	156.0
1614.5010986328125	152.0
1614.6051025390625	184.0
1618.22998046875	220.0
1618.8304443359375	196.0
1620.0799560546875	140.0
1624.1279296875	144.0
1627.217529296875	232.0
1630.0849609375	196.0
1630.97705078125	236.0
1632.8262939453125	248.0
1633.9925537109375	188.0
1634.4833984375	144.0
1636.7935791015625	160.0
1637.4296875	160.0
1638.3641357421875	184.0
1641.055908203125	144.0
1641.886474609375	188.0
1646.9307861328125	196.0
1649.063720703125	240.0
1653.673828125	232.0
1655.13916015625	144.0
1658.4525146484375	264.0
1662.1424560546875	168.0
1663.4490966796875	168.0
1666.388916015625	212.0
1666.7220458984375	152.0
1672.7239990234375	172.0
1679.0220947265625	164.0
1682.988037109375	196.0
1683.0859375	160.0
1686.0267333984375	220.0
1688.2012939453125	204.0
1689.51806640625	184.0
1689.99267578125	140.0
1695.363525390625	188.0
1696.765869140625	220.0
1697.274169921875	188.0
1699.7103271484375	220.0
1700.375	148.0
1701.795166015625	148.0
1708.485107421875	184.0
1709.16796875	240.0
1709.8426513671875	208.0
1714.9654541015625	208.0
1715.295166015625	176.0
1717.0269775390625	132.0
1719.328369140625	160.0
1727.08642578125	164.0
1729.1134033203125	160.0
1733.7296142578125	180.0
1734.53857421875	180.0
1739.2000732421875	160.0
1740.5118408203125	164.0
1743.24462890625	160.0
1746.5784912109375	192.0
1753.6224365234375	140.0
1757.9119873046875	172.0
1758.5181884765625	168.0
1766.38916015625	140.0
1767.602294921875	164.0
1770.8336181640625	148.0
1771.82373046875	124.0
1773.04541015625	224.0
1775.4598388671875	184.0
1775.9798583984375	148.0
1776.83544921875	164.0
1778.748779296875	156.0
1781.4779052734375	140.0
1781.5955810546875	196.0
1782.1248779296875	184.0
1785.08349609375	172.0
1785.7479248046875	228.0
1789.4925537109375	148.0
1795.8885498046875	164.0
1798.5211181640625	164.0
1799.3314208984375	212.0
1799.4749755859375	220.0
1804.967041015625	240.0
1809.6375732421875	184.0
1810.0015869140625	256.0
1811.3736572265625	168.0
1812.9410400390625	192.0
1814.712646484375	148.0
1816.9552001953125	144.0
1818.4195556640625	216.0
1822.1898193359375	160.0
1823.447509765625	152.0
1824.169921875	176.0
1828.6610107421875	176.0
1828.94189453125	164.0
1829.7080078125	152.0
1830.653076171875	168.0
1833.566650390625	144.0
1838.8629150390625	160.0
1841.039794921875	144.0
1842.115966796875	160.0
1842.39794921875	168.0
1842.526123046875	240.0
1842.8507080078125	152.0
1846.423828125	164.0
1846.979736328125	164.0
1851.9771728515625	136.0
1855.603271484375	140.0
1857.25830078125	160.0
1860.141357421875	168.0
1860.8109130859375	148.0
1862.34814453125	176.0
1866.07763671875	140.0
1866.834228515625	220.0
1868.2706298828125	144.0
1870.3961181640625	172.0
1870.7318115234375	260.0
1872.8179931640625	232.0
1874.7540283203125	148.0
1875.1246337890625	144.0
1876.6590576171875	140.0
1880.83447265625	244.0
1880.9984130859375	168.0
1888.2388916015625	148.0
1888.7406005859375	200.0
1889.943115234375	144.0
1891.3709716796875	144.0
1891.795166015625	156.0
1892.600341796875	200.0
1896.0653076171875	176.0
1899.62890625	176.0
1900.2275390625	180.0
1901.82421875	180.0
1902.00927734375	252.0
1902.9266357421875	144.0
1905.1846923828125	188.0
1905.4453125	140.0
1905.6885986328125	188.0
1906.4967041015625	160.0
1909.3568115234375	160.0
1910.94873046875	160.0
1913.82958984375	200.0
1913.9254150390625	224.0
1915.6990966796875	116.0
1917.5928955078125	160.0
1921.909423828125	232.0
1923.1661376953125	156.0
1925.5496826171875	180.0
1925.7471923828125	200.0
1926.1697998046875	156.0
1930.09375	156.0
1931.0994873046875	144.0
1931.6417236328125	140.0
1932.1710205078125	172.0
1933.7679443359375	144.0
1936.3121337890625	168.0
1938.1114501953125	144.0
1938.234130859375	168.0
1938.6634521484375	160.0
1938.830078125	172.0
1939.241943359375	180.0
1940.3026123046875	208.0
1941.170654296875	140.0
1941.83544921875	104.0
1942.547607421875	172.0
1943.073974609375	152.0
1944.6270751953125	168.0
1946.99755859375	200.0
1949.808837890625	148.0
1952.6485595703125	192.0
1952.921142578125	180.0
1953.3258056640625	144.0
1955.1558837890625	208.0
1956.7879638671875	116.0
1958.4161376953125	164.0
1961.24169921875	140.0
1961.89404296875	144.0
1963.4547119140625	156.0
1964.336669921875	164.0
1965.986572265625	148.0
1968.131591796875	140.0
1972.920166015625	196.0
1973.8218994140625	196.0
1975.7589111328125	140.0
1976.767578125	160.0
1980.09619140625	148.0
1981.4337158203125	220.0
1984.0125732421875	148.0
1985.271728515625	144.0
1987.7288818359375	196.0
1989.4329833984375	212.0
1990.0987548828125	212.0
1990.205322265625	140.0
1991.857177734375	152.0
1993.003173828125	156.0
1994.2117919921875	148.0
1995.7327880859375	160.0
1995.8297119140625	160.0
1996.203125	148.0
1996.74560546875	160.0
1997.795166015625	164.0
1998.836181640625	140.0
1999.17431640625	200.0
2000.055419921875	220.0
2000.46484375	172.0
2000.96337890625	176.0
2002.183349609375	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079128
PEPMASS=429.244812
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=32.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=IRBESARTAN [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5
INCHI=InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
INCHIAUX=YOSHYTLCDANDAN-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079128
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079128
SCANS=1275
51.4886474609375	140.0
63.66193389892578	180.0
63.87331771850586	156.0
83.76310729980469	260.0
96.59585571289062	164.0
98.05865478515625	172.0
105.86904907226562	160.0
113.08164978027344	172.0
139.72166442871094	152.0
151.42832946777344	160.0
153.0718231201172	192.0
167.15870666503906	164.0
168.15577697753906	148.0
178.0652618408203	208.0
179.0724334716797	156.0
180.07997131347656	604.0
181.08847045898438	156.0
183.0663299560547	296.0
190.06431579589844	540.0
191.07015991210938	220.0
191.191162109375	180.0
192.07598876953125	540.0
192.6055450439453	148.0
193.07313537597656	132.0
195.1477813720703	800.0
196.08763122558594	176.0
196.14991760253906	264.0
205.07496643066406	300.0
205.21009826660156	212.0
206.08326721191406	792.0
207.09141540527344	5816.0
208.09542846679688	732.0
208.1400146484375	168.0
209.0991668701172	116.0
217.148193359375	196.0
227.04542541503906	172.0
235.09693908691406	160.0
241.06869506835938	140.0
242.1607666015625	152.0
247.08839416503906	168.0
257.14361572265625	192.0
268.06903076171875	768.0
269.0693054199219	212.0
294.2540588378906	152.0
313.0633850097656	160.0
339.5658264160156	228.0
343.09576416015625	152.0
370.8227233886719	152.0
385.0882263183594	144.0
386.22119140625	364.0
387.23779296875	272.0
388.2190856933594	140.0
389.3571472167969	188.0
389.5260314941406	144.0
394.8312072753906	196.0
401.23590087890625	464.0
402.23907470703125	112.0
403.21978759765625	168.0
409.3818359375	156.0
410.1314392089844	160.0
418.7125244140625	168.0
428.14141845703125	1292.0
429.1451721191406	136.0
429.2402648925781	7224.0
430.1043701171875	176.0
430.2406921386719	2064.0
430.3172607421875	236.0
431.2379455566406	124.0
432.0820007324219	296.0
432.246337890625	232.0
432.99676513671875	144.0
433.2227478027344	116.0
470.0662536621094	188.0
1006.0103759765625	200.0
1892.2247314453125	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079129
PEPMASS=212.084641
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=MILRINONE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1nc(O)c(C#N)cc1c2ccncc2
INCHI=InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
INCHIAUX=PZRHRDRVRGEVNW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079129
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079129
SCANS=1046
48.774925231933594	220.0
52.69834899902344	220.0
53.07612609863281	188.0
53.67229080200195	208.0
53.73063278198242	144.0
53.992095947265625	176.0
54.95867919921875	252.0
59.83245849609375	152.0
60.83733367919922	164.0
62.561676025390625	280.0
62.591590881347656	196.0
66.07132720947266	140.0
68.38362884521484	160.0
69.11634826660156	204.0
69.69004821777344	164.0
73.6048812866211	148.0
75.73918151855469	200.0
84.41129302978516	180.0
85.0525131225586	196.0
87.1448745727539	168.0
92.09783172607422	244.0
92.60037994384766	344.0
95.07254791259766	148.0
96.08045196533203	144.0
98.09693145751953	1412.0
99.0958480834961	248.0
99.72747039794922	232.0
100.11830139160156	208.0
100.143310546875	176.0
101.00557708740234	164.0
101.11762237548828	180.0
106.0230484008789	220.0
107.01931762695312	260.0
107.93130493164062	164.0
109.03828430175781	184.0
110.09691619873047	708.0
111.10758972167969	180.0
111.63689422607422	156.0
112.1122817993164	836.0
112.54508972167969	164.0
113.11377716064453	168.0
115.05464172363281	176.0
115.70455169677734	172.0
117.22740936279297	156.0
125.05779266357422	196.0
126.0885009765625	144.0
126.12772369384766	244.0
126.5400390625	192.0
127.09140014648438	160.0
127.51806640625	176.0
130.07493591308594	164.0
130.93209838867188	148.0
132.04661560058594	224.0
132.54945373535156	176.0
135.0482940673828	196.0
136.04847717285156	128.0
137.05770874023438	164.0
137.32113647460938	148.0
138.0929718017578	376.0
138.126953125	200.0
139.0947265625	312.0
139.56690979003906	152.0
140.0482940673828	496.0
140.103515625	152.0
140.13650512695312	156.0
140.51608276367188	216.0
141.05349731445312	220.0
141.1892852783203	156.0
141.5556182861328	204.0
142.0690155029297	256.0
142.09649658203125	228.0
144.03904724121094	176.0
144.07119750976562	148.0
145.03733825683594	156.0
145.0642547607422	184.0
146.0621337890625	412.0
148.06373596191406	12276.0
148.14292907714844	240.0
148.5648956298828	1628.0
148.79241943359375	216.0
149.9458465576172	160.0
151.61993408203125	148.0
152.14578247070312	484.0
154.0641632080078	364.0
154.15538024902344	128.0
154.56610107421875	168.0
155.15589904785156	296.0
156.0384521484375	152.0
156.0679931640625	160.0
156.10806274414062	156.0
157.07322692871094	456.0
158.05624389648438	200.0
161.07569885253906	224.0
161.56858825683594	192.0
162.20167541503906	252.0
163.76686096191406	180.0
164.8434600830078	152.0
166.1210479736328	224.0
166.8709259033203	140.0
167.02008056640625	172.0
167.06338500976562	416.0
168.06893920898438	648.0
169.07742309570312	812.0
170.07162475585938	156.0
171.0541534423828	304.0
171.1834259033203	736.0
171.46047973632812	164.0
172.19078063964844	164.0
173.1298370361328	152.0
173.83238220214844	144.0
174.5521240234375	232.0
174.5810546875	216.0
174.91519165039062	188.0
174.93360900878906	164.0
175.0875701904297	9736.0
175.11793518066406	200.0
175.4597930908203	104.0
175.58779907226562	2512.0
175.63890075683594	140.0
176.09048461914062	172.0
176.34742736816406	140.0
179.069580078125	152.0
179.3066864013672	156.0
181.0780029296875	144.0
182.07000732421875	760.0
182.15087890625	172.0
182.8607177734375	140.0
183.07980346679688	912.0
183.18478393554688	1740.0
184.06484985351562	168.0
184.08677673339844	1540.0
184.1868438720703	164.0
185.0695037841797	700.0
192.3604278564453	160.0
193.0594482421875	172.0
193.54092407226562	164.0
194.07298278808594	664.0
195.05581665039062	684.0
195.24195861816406	156.0
195.60922241210938	160.0
196.06317138671875	1048.0
196.08462524414062	724.0
197.0660858154297	464.0
197.0890655517578	276.0
201.1342010498047	212.0
201.4871826171875	216.0
202.62669372558594	1048.0
203.12716674804688	336.0
205.5901641845703	192.0
206.07069396972656	540.0
207.08181762695312	148.0
208.6262664794922	176.0
209.09222412109375	144.0
209.27645874023438	152.0
210.06546020507812	356.0
210.81678771972656	144.0
210.969970703125	200.0
211.0741729736328	3440.0
211.4211883544922	176.0
211.47616577148438	188.0
211.6309814453125	1580.0
212.02529907226562	212.0
212.08309936523438	39528.0
212.12881469726562	616.0
212.1781005859375	152.0
212.23886108398438	148.0
212.6392059326172	308.0
212.9307861328125	224.0
213.0112762451172	140.0
213.08465576171875	6488.0
213.9529266357422	144.0
214.0868682861328	400.0
214.12692260742188	288.0
214.6331787109375	188.0
214.67312622070312	104.0
222.06637573242188	556.0
223.06689453125	132.0
224.08352661132812	1720.0
225.08619689941406	508.0
226.08753967285156	200.0
228.05496215820312	168.0
231.96383666992188	168.0
232.64334106445312	188.0
233.4302520751953	184.0
235.07662963867188	272.0
236.08474731445312	332.0
238.063232421875	740.0
238.09649658203125	124.0
239.0725555419922	212.0
239.10198974609375	156.0
240.0754852294922	180.0
251.6969451904297	228.0
252.07730102539062	2676.0
253.00270080566406	164.0
253.08132934570312	480.0
254.0770263671875	160.0
254.80404663085938	140.0
254.85487365722656	140.0
267.08880615234375	152.0
267.1168518066406	180.0
269.1005554199219	584.0
281.09954833984375	624.0
283.4748840332031	152.0
292.1387023925781	176.0
295.1217956542969	488.0
296.11181640625	144.0
305.1946105957031	192.0
319.14825439453125	160.0
320.150634765625	152.0
321.17352294921875	164.0
347.7614440917969	192.0
349.1654968261719	1312.0
350.1715393066406	548.0
351.1732482910156	256.0
1156.2147216796875	216.0
1340.6583251953125	144.0
1449.2109375	164.0
1457.8612060546875	152.0
1470.694091796875	188.0
1619.177490234375	244.0
1634.6951904296875	180.0
1656.4942626953125	140.0
1730.1094970703125	152.0
1744.6937255859375	164.0
1779.9605712890625	284.0
1801.9609375	152.0
1836.0418701171875	144.0
1852.97509765625	164.0
1874.7139892578125	256.0
1890.58642578125	164.0
1901.5582275390625	208.0
1924.094482421875	160.0
1965.5308837890625	188.0
1981.8355712890625	184.0
1982.4114990234375	196.0
1983.333251953125	212.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079130
PEPMASS=458.223511
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=VALSARTAN [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3nn[nH]n3)[C@@H](C(C)C)C(=O)O
INCHI=InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
INCHIAUX=ACWBQPMHZXGDFX-QFIPXVFZSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079130
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079130
SCANS=1539
47.9705810546875	176.0
52.83415222167969	168.0
53.24726486206055	180.0
60.347652435302734	140.0
61.18701171875	188.0
63.619163513183594	176.0
64.40739440917969	156.0
65.37899780273438	156.0
65.4933090209961	140.0
67.21177673339844	164.0
67.39628601074219	164.0
71.41682434082031	196.0
75.7442398071289	180.0
75.88461303710938	172.0
77.88980102539062	156.0
78.49874877929688	152.0
82.68653869628906	176.0
88.85491180419922	212.0
91.72184753417969	212.0
93.17046356201172	176.0
96.26570129394531	196.0
96.28913879394531	204.0
96.64491271972656	152.0
96.81129455566406	184.0
97.03858947753906	164.0
99.35397338867188	140.0
99.52069091796875	172.0
102.2171630859375	168.0
102.2453384399414	144.0
102.5973892211914	184.0
103.91239166259766	184.0
109.56036376953125	152.0
110.4475326538086	152.0
111.54838562011719	180.0
113.21096801757812	148.0
116.97735595703125	152.0
121.58540344238281	168.0
123.09114074707031	184.0
123.65486907958984	140.0
125.05718231201172	332.0
127.0081558227539	144.0
127.0911636352539	152.0
129.04393005371094	164.0
130.0406494140625	188.0
130.8544464111328	196.0
132.05702209472656	208.0
134.56640625	156.0
135.12339782714844	140.0
137.29989624023438	188.0
137.6697998046875	188.0
139.056884765625	208.0
140.03909301757812	272.0
141.30966186523438	172.0
142.3644561767578	156.0
148.26866149902344	188.0
152.0663299560547	284.0
153.0679168701172	220.0
154.06954956054688	140.0
154.1964111328125	160.0
154.89662170410156	172.0
155.6306915283203	148.0
156.0182647705078	144.0
156.578125	160.0
157.1015625	148.0
157.36610412597656	160.0
158.7799072265625	152.0
161.591064453125	144.0
161.71759033203125	140.0
161.98345947265625	184.0
162.01638793945312	152.0
163.07000732421875	192.0
167.07278442382812	172.0
167.41098022460938	204.0
168.716552734375	144.0
169.11749267578125	156.0
170.1543731689453	144.0
173.64715576171875	108.0
176.06704711914062	228.0
176.1964874267578	156.0
177.06922912597656	140.0
177.5517120361328	184.0
177.64190673828125	160.0
178.07789611816406	3176.0
178.12767028808594	200.0
178.14892578125	140.0
179.08541870117188	5536.0
179.3570098876953	140.0
179.91452026367188	144.0
180.0847930908203	968.0
180.98126220703125	164.0
181.0845184326172	588.0
183.1538543701172	144.0
183.3990478515625	184.0
188.61878967285156	160.0
188.9223175048828	148.0
190.06617736816406	772.0
190.4711151123047	148.0
191.07266235351562	836.0
191.37588500976562	140.0
192.0289764404297	152.0
192.08023071289062	448.0
193.04803466796875	152.0
193.07818603515625	168.0
194.94692993164062	148.0
195.08990478515625	136.0
196.1046600341797	156.0
196.71551513671875	152.0
197.06460571289062	148.0
197.6993408203125	160.0
198.4276123046875	184.0
198.53414916992188	164.0
201.66200256347656	212.0
203.4124755859375	192.0
205.07972717285156	532.0
205.87525939941406	140.0
206.08326721191406	1240.0
206.7758026123047	156.0
206.86453247070312	180.0
207.09213256835938	24292.0
207.32957458496094	120.0
207.4971923828125	132.0
208.01466369628906	124.0
208.09539794921875	4856.0
208.94113159179688	116.0
209.09812927246094	420.0
209.6060333251953	180.0
211.0910186767578	184.0
212.23477172851562	144.0
212.4464874267578	152.0
213.0474090576172	160.0
213.4298095703125	160.0
214.11488342285156	204.0
217.3010711669922	180.0
218.9118194580078	156.0
219.08883666992188	160.0
219.38912963867188	220.0
220.09719848632812	160.0
220.7827606201172	188.0
223.6666259765625	200.0
224.12464904785156	1052.0
225.12501525878906	264.0
225.15737915039062	172.0
225.2559356689453	156.0
229.07376098632812	1556.0
230.07598876953125	332.0
230.86134338378906	180.0
231.0901641845703	752.0
231.1154327392578	180.0
231.81491088867188	216.0
232.65809631347656	152.0
233.05484008789062	196.0
233.8648681640625	224.0
235.09751892089844	936.0
235.34031677246094	184.0
236.0976104736328	652.0
242.1332550048828	140.0
242.309814453125	164.0
246.10418701171875	300.0
247.032470703125	144.0
247.06161499023438	300.0
247.08364868164062	256.0
247.11380004882812	200.0
248.197509765625	208.0
249.05426025390625	140.0
249.148681640625	128.0
249.61680603027344	144.0
250.0193634033203	144.0
250.41929626464844	148.0
251.08743286132812	172.0
251.6491241455078	144.0
252.89462280273438	164.0
254.08609008789062	148.0
254.1844482421875	152.0
254.69239807128906	156.0
257.0802001953125	164.0
260.96563720703125	140.0
261.1457214355469	156.0
263.0469970703125	176.0
263.15240478515625	332.0
263.1933288574219	112.0
264.15692138671875	216.0
265.0625305175781	144.0
265.372802734375	148.0
265.4765625	188.0
266.0541076660156	164.0
268.41943359375	192.0
268.9414367675781	148.0
269.6646423339844	120.0
270.7362976074219	172.0
271.1336669921875	1748.0
271.2474365234375	188.0
272.138671875	964.0
272.6751708984375	140.0
273.1435852050781	372.0
274.1231689453125	212.0
274.14483642578125	152.0
275.01690673828125	148.0
275.5716857910156	172.0
278.16766357421875	484.0
278.87994384765625	136.0
279.0430908203125	156.0
279.1780700683594	340.0
279.8502197265625	168.0
279.9701232910156	172.0
280.18328857421875	152.0
281.0690002441406	188.0
282.0453186035156	180.0
283.09918212890625	148.0
283.35626220703125	96.0
283.97723388671875	144.0
284.06109619140625	160.0
285.0498046875	164.0
285.1357727050781	3708.0
286.1405029296875	1160.0
287.13629150390625	112.0
289.3147277832031	168.0
289.4873962402344	188.0
290.1479187011719	148.0
291.1465759277344	132.0
292.1566162109375	328.0
293.1546936035156	140.0
293.3163757324219	164.0
294.0667419433594	184.0
294.753173828125	160.0
300.0801696777344	188.0
300.1479797363281	22828.0
300.3802795410156	280.0
300.4353942871094	180.0
300.65277099609375	164.0
301.00701904296875	160.0
301.15020751953125	4784.0
301.5783386230469	196.0
302.146240234375	412.0
303.1458435058594	180.0
303.367919921875	144.0
305.7784729003906	172.0
306.1710510253906	1660.0
307.1753234863281	464.0
308.17523193359375	124.0
312.8349914550781	152.0
315.1475830078125	612.0
316.10321044921875	240.0
316.1370544433594	136.0
317.1394958496094	216.0
318.1538391113281	1012.0
318.9048767089844	160.0
319.10821533203125	160.0
319.15185546875	160.0
320.163818359375	292.0
321.8724060058594	176.0
322.41180419921875	144.0
323.6924743652344	160.0
324.75439453125	112.0
325.9351501464844	160.0
327.4092102050781	140.0
327.60369873046875	144.0
328.0761413574219	176.0
328.1540222167969	19028.0
328.20025634765625	244.0
328.4349060058594	108.0
328.6406555175781	128.0
329.0967712402344	140.0
329.1548767089844	2332.0
329.58258056640625	140.0
330.11572265625	172.0
330.1578674316406	1216.0
331.1105041503906	468.0
332.1427917480469	188.0
336.87969970703125	176.0
337.4936828613281	232.0
341.1672668457031	144.0
346.1523132324219	2316.0
347.1063537597656	172.0
347.1574401855469	1028.0
348.153076171875	164.0
349.1163024902344	436.0
350.1266174316406	236.0
351.1140441894531	120.0
351.4635925292969	148.0
351.6016540527344	156.0
351.8629455566406	160.0
352.17181396484375	252.0
353.1322937011719	228.0
354.1716613769531	164.0
357.08648681640625	176.0
358.1651916503906	364.0
358.90533447265625	160.0
359.1727294921875	120.0
359.214599609375	144.0
359.4220886230469	176.0
361.9091796875	148.0
362.2284240722656	160.0
362.6289367675781	168.0
364.1351623535156	264.0
365.13067626953125	160.0
365.4313659667969	152.0
365.9033203125	144.0
369.1809387207031	164.0
370.01123046875	152.0
370.7313232421875	152.0
374.02276611328125	156.0
374.1575927734375	1152.0
375.1663513183594	408.0
376.6756286621094	140.0
382.1558837890625	136.0
383.1384582519531	164.0
383.42291259765625	144.0
384.26275634765625	96.0
384.29638671875	240.0
385.10052490234375	188.0
386.2095947265625	360.0
386.6565856933594	200.0
387.2200622558594	108.0
387.8197937011719	164.0
389.6012878417969	148.0
390.121826171875	108.0
390.4424133300781	188.0
391.9579772949219	156.0
392.12646484375	180.0
392.15521240234375	208.0
394.1004943847656	156.0
399.3848876953125	148.0
399.75091552734375	140.0
399.926025390625	140.0
400.3241271972656	160.0
400.8738708496094	144.0
400.92169189453125	224.0
401.1966857910156	2464.0
401.5595703125	176.0
401.7270812988281	140.0
402.19696044921875	592.0
403.20428466796875	540.0
403.3155212402344	156.0
405.1850891113281	160.0
408.3200378417969	180.0
409.06439208984375	144.0
410.14666748046875	188.0
411.7335510253906	196.0
412.1132507324219	172.0
412.14154052734375	176.0
412.2003173828125	396.0
413.1756286621094	276.0
413.65557861328125	160.0
414.4073181152344	148.0
415.01934814453125	164.0
415.1987609863281	2184.0
415.67645263671875	220.0
415.7048645019531	216.0
416.1959533691406	520.0
417.38519287109375	104.0
418.2240295410156	452.0
419.2305908203125	400.0
420.22589111328125	336.0
420.6253967285156	192.0
421.22564697265625	228.0
421.2991638183594	184.0
425.7226867675781	140.0
425.9957275390625	116.0
427.75372314453125	148.0
429.1131896972656	144.0
430.0190124511719	216.0
430.2105407714844	24236.0
430.4427795410156	164.0
430.82843017578125	188.0
430.91265869140625	200.0
430.9490051269531	100.0
431.1664733886719	364.0
431.2127685546875	7016.0
431.3572082519531	112.0
432.03302001953125	176.0
432.0992126464844	152.0
432.12945556640625	168.0
432.21722412109375	520.0
432.6965637207031	176.0
433.1726989746094	152.0
433.2124328613281	220.0
433.3274841308594	160.0
433.6064453125	140.0
433.7190246582031	200.0
433.91021728515625	100.0
434.8947448730469	128.0
435.1121826171875	148.0
437.10955810546875	120.0
437.2320556640625	164.0
440.213623046875	116.0
441.2037658691406	124.0
441.2823791503906	152.0
446.7006530761719	144.0
448.5787353515625	172.0
449.0130310058594	200.0
449.17803955078125	96.0
449.3800048828125	160.0
450.17449951171875	128.0
451.2088928222656	100.0
451.51202392578125	160.0
451.82708740234375	132.0
452.03912353515625	132.0
452.19189453125	112.0
452.87664794921875	128.0
453.00604248046875	136.0
453.3269348144531	120.0
453.5496520996094	148.0
453.6818542480469	132.0
453.8731994628906	112.0
454.20947265625	112.0
454.5855712890625	164.0
454.98858642578125	132.0
455.172607421875	192.0
455.21087646484375	160.0
455.3115234375	128.0
455.708251953125	140.0
456.2204284667969	100.0
456.40997314453125	144.0
456.4337463378906	184.0
456.72479248046875	184.0
456.8155822753906	124.0
456.9153137207031	140.0
457.212890625	316.0
457.4010314941406	168.0
457.44793701171875	136.0
457.5001525878906	292.0
457.5512390136719	96.0
457.59381103515625	184.0
457.755126953125	168.0
457.805419921875	160.0
457.884033203125	232.0
457.92169189453125	260.0
458.01104736328125	188.0
458.04376220703125	256.0
458.11151123046875	156.0
458.21856689453125	150852.0
458.3631591796875	528.0
458.4657287597656	160.0
458.54669189453125	208.0
458.57257080078125	332.0
458.6221008300781	284.0
458.7016906738281	204.0
458.75494384765625	168.0
458.85699462890625	244.0
458.919189453125	1112.0
458.9958190917969	380.0
459.05938720703125	204.0
459.2207946777344	60764.0
459.4801330566406	172.0
459.5281066894531	136.0
459.5624084472656	248.0
459.6150817871094	328.0
459.6826477050781	172.0
459.8650207519531	152.0
460.03778076171875	204.0
460.1044006347656	164.0
460.2220764160156	7228.0
460.31488037109375	140.0
460.51092529296875	96.0
460.5416259765625	212.0
460.7294921875	96.0
461.22357177734375	1604.0
461.2930603027344	100.0
461.3288269042969	128.0
461.40045166015625	124.0
461.55963134765625	152.0
461.586669921875	308.0
461.6648864746094	168.0
461.705810546875	180.0
461.7899475097656	192.0
461.9836730957031	152.0
462.1148376464844	112.0
462.1444091796875	220.0
462.1935119628906	116.0
462.2916259765625	160.0
462.3350524902344	156.0
462.5963134765625	96.0
462.6689758300781	136.0
462.81060791015625	132.0
462.8714294433594	108.0
463.0334777832031	116.0
463.3044128417969	136.0
463.9306335449219	160.0
464.12347412109375	108.0
464.191650390625	128.0
464.53839111328125	200.0
468.18743896484375	152.0
474.17999267578125	1308.0
474.31396484375	208.0
475.1796569824219	200.0
476.1732482910156	128.0
477.4791259765625	212.0
478.17449951171875	104.0
478.2064208984375	220.0
479.20697021484375	128.0
480.1793212890625	140.0
488.14678955078125	104.0
492.19329833984375	1340.0
493.1971740722656	668.0
494.19757080078125	360.0
496.1836242675781	132.0
497.1990051269531	120.0
499.1915588378906	176.0
500.2593688964844	160.0
501.1678771972656	204.0
511.2056579589844	188.0
518.2647705078125	144.0
576.2548217773438	216.0
597.6748657226562	96.0
608.7109375	160.0
638.2858276367188	156.0
675.3080444335938	188.0
676.3221435546875	140.0
695.530029296875	168.0
809.42822265625	156.0
829.3049926757812	160.0
1408.9415283203125	152.0
1475.1751708984375	240.0
1699.521240234375	228.0
1716.910888671875	208.0
1809.7303466796875	188.0
1921.03662109375	164.0
1924.0648193359375	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079131
PEPMASS=436.241089
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=32.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=VALSARTAN [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3nn[nH]n3)[C@@H](C(C)C)C(=O)O
INCHI=InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
INCHIAUX=ACWBQPMHZXGDFX-QFIPXVFZSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079131
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079131
SCANS=1540
45.202327728271484	144.0
45.405269622802734	120.0
45.41936492919922	184.0
45.65171432495117	140.0
45.728397369384766	156.0
45.957489013671875	164.0
46.12174606323242	216.0
46.271053314208984	176.0
46.29948806762695	152.0
46.367225646972656	148.0
47.174381256103516	160.0
48.232852935791016	156.0
48.351802825927734	184.0
48.43487548828125	180.0
48.469512939453125	160.0
49.351993560791016	172.0
49.367374420166016	164.0
49.532527923583984	180.0
49.92973709106445	172.0
50.31159210205078	148.0
50.726078033447266	144.0
50.8721923828125	276.0
51.092464447021484	164.0
51.49015426635742	172.0
51.70867156982422	128.0
52.354942321777344	144.0
52.84283447265625	140.0
55.5043830871582	160.0
55.87559127807617	160.0
56.2303466796875	148.0
56.66849136352539	140.0
56.87994384765625	184.0
56.918975830078125	208.0
57.37636947631836	192.0
57.73271560668945	216.0
57.76447677612305	164.0
58.55679702758789	192.0
58.97332000732422	172.0
59.15534591674805	144.0
59.28093719482422	140.0
60.482444763183594	244.0
60.634029388427734	192.0
60.71774673461914	144.0
60.814781188964844	236.0
60.86811828613281	120.0
61.79882049560547	144.0
62.51591873168945	140.0
63.710777282714844	180.0
64.04373168945312	204.0
64.34671783447266	188.0
64.92596435546875	152.0
64.95803833007812	156.0
64.99654388427734	192.0
65.14424896240234	160.0
65.20048522949219	152.0
65.67705535888672	160.0
65.7916259765625	172.0
66.30599975585938	144.0
67.0242691040039	220.0
67.50090026855469	192.0
68.13191986083984	156.0
69.2486572265625	156.0
69.44257354736328	220.0
69.57698059082031	200.0
69.64008331298828	196.0
69.79130554199219	200.0
70.14924621582031	140.0
70.28934478759766	208.0
70.4195556640625	188.0
70.82096862792969	152.0
71.28904724121094	160.0
72.41432189941406	148.0
72.44480895996094	152.0
72.964111328125	164.0
73.22785949707031	156.0
73.3812255859375	196.0
73.78585052490234	164.0
74.8134765625	184.0
74.87374114990234	156.0
75.04950714111328	148.0
75.42585754394531	216.0
75.92623138427734	208.0
76.59190368652344	144.0
76.96336364746094	156.0
77.26922607421875	200.0
77.2937240600586	184.0
77.31646728515625	176.0
77.365478515625	208.0
78.01104736328125	252.0
78.12359619140625	224.0
78.90484619140625	160.0
79.02157592773438	152.0
79.74685668945312	200.0
80.586181640625	156.0
80.84725189208984	172.0
80.96182250976562	172.0
81.07109832763672	180.0
81.30064392089844	176.0
81.85611724853516	140.0
81.9407730102539	156.0
82.18236541748047	144.0
82.23289489746094	148.0
82.42251586914062	152.0
82.46046447753906	208.0
83.44840240478516	164.0
83.47386169433594	176.0
83.66126251220703	152.0
84.00020599365234	172.0
84.22837829589844	184.0
84.24664306640625	144.0
84.40747833251953	156.0
84.53003692626953	148.0
84.78091430664062	144.0
85.56783294677734	156.0
85.66100311279297	176.0
85.92646026611328	192.0
85.9652099609375	176.0
86.07965850830078	200.0
86.44751739501953	144.0
86.47713470458984	140.0
86.99799346923828	212.0
88.04068756103516	220.0
89.24181365966797	216.0
89.65216064453125	144.0
90.29025268554688	200.0
90.82815551757812	152.0
90.84712219238281	256.0
90.99514770507812	292.0
91.35623168945312	172.0
91.58084869384766	148.0
91.59799194335938	224.0
93.08403015136719	176.0
93.2626953125	220.0
93.37421417236328	168.0
93.44153594970703	140.0
94.22041320800781	144.0
94.260986328125	180.0
94.79894256591797	224.0
94.86483764648438	184.0
95.48228454589844	192.0
95.795654296875	188.0
96.15769958496094	124.0
96.8837661743164	176.0
97.29598999023438	140.0
97.9386215209961	140.0
99.21923065185547	148.0
100.52989196777344	148.0
100.56182098388672	160.0
100.7774887084961	252.0
100.83943939208984	176.0
101.1214370727539	216.0
101.2015151977539	156.0
101.6103744506836	160.0
101.80355834960938	164.0
101.82315063476562	164.0
102.13468170166016	204.0
102.58976745605469	148.0
102.7632064819336	184.0
103.24800109863281	184.0
103.48272705078125	236.0
105.0455322265625	436.0
105.72795867919922	156.0
106.01261138916016	144.0
106.38179779052734	160.0
106.45939636230469	176.0
108.12556457519531	184.0
109.80423736572266	200.0
109.8247299194336	184.0
109.91480255126953	148.0
109.98158264160156	152.0
110.31788635253906	172.0
110.593994140625	168.0
110.78245544433594	168.0
111.26268768310547	144.0
111.51895904541016	156.0
111.53997802734375	180.0
111.56310272216797	140.0
111.92707824707031	236.0
111.94181823730469	188.0
112.1124496459961	168.0
112.1756820678711	212.0
112.76246643066406	160.0
113.52671813964844	200.0
113.6009521484375	156.0
113.70916748046875	148.0
114.3786849975586	232.0
114.81758880615234	204.0
115.12275695800781	208.0
115.23596954345703	140.0
116.05785369873047	164.0
116.65254211425781	156.0
116.78155517578125	196.0
117.05622100830078	260.0
117.19486999511719	196.0
117.77085876464844	160.0
118.17078399658203	144.0
119.45726013183594	160.0
119.55299377441406	168.0
119.59434509277344	156.0
120.04095458984375	152.0
120.1478271484375	180.0
120.52201843261719	144.0
120.78787994384766	148.0
120.82069396972656	144.0
120.93885803222656	208.0
121.13811492919922	160.0
121.31999969482422	144.0
121.37261962890625	180.0
122.5727767944336	252.0
123.49114227294922	140.0
123.51325988769531	164.0
123.54644012451172	156.0
123.7079849243164	172.0
124.43123626708984	116.0
125.06868743896484	208.0
125.60122680664062	164.0
126.30036163330078	144.0
126.8893051147461	144.0
127.05302429199219	172.0
127.8664321899414	148.0
128.0663604736328	200.0
128.45225524902344	156.0
129.04368591308594	460.0
129.06954956054688	252.0
129.92945861816406	140.0
130.06561279296875	180.0
130.1223602294922	144.0
130.22909545898438	184.0
130.37222290039062	176.0
130.66781616210938	172.0
130.80416870117188	148.0
131.7233123779297	164.0
132.0204315185547	164.0
132.5148468017578	172.0
132.93675231933594	148.0
133.14794921875	148.0
133.47886657714844	192.0
133.87925720214844	172.0
137.96066284179688	176.0
138.04644775390625	204.0
138.5316619873047	160.0
138.61131286621094	216.0
138.98414611816406	148.0
139.0537109375	108.0
139.95953369140625	152.0
140.0496826171875	1908.0
140.23521423339844	168.0
141.05921936035156	260.0
141.26943969726562	232.0
141.32479858398438	120.0
141.41140747070312	172.0
141.5084686279297	192.0
141.67662048339844	232.0
141.75953674316406	168.0
141.85433959960938	144.0
141.9229736328125	156.0
142.0535430908203	324.0
142.21014404296875	188.0
142.82315063476562	200.0
143.0587158203125	220.0
143.86924743652344	188.0
145.98731994628906	164.0
147.5279998779297	156.0
147.73355102539062	196.0
147.8956756591797	148.0
148.37045288085938	200.0
148.83628845214844	152.0
149.20008850097656	136.0
149.99188232421875	164.0
150.04794311523438	472.0
150.0650177001953	204.0
150.14791870117188	192.0
150.58721923828125	156.0
150.6116485595703	220.0
151.00759887695312	292.0
151.05514526367188	384.0
151.11033630371094	156.0
151.16172790527344	160.0
151.48387145996094	144.0
151.56085205078125	184.0
151.70790100097656	140.0
152.062255859375	1524.0
152.1249237060547	156.0
152.7117156982422	104.0
152.9090118408203	160.0
153.019775390625	140.0
153.0704803466797	6924.0
153.19955444335938	188.0
153.42135620117188	184.0
153.51751708984375	168.0
154.0723114013672	876.0
154.98085021972656	164.0
155.0552520751953	112.0
156.06578063964844	144.0
156.23463439941406	188.0
156.66281127929688	160.0
156.92698669433594	160.0
157.06663513183594	156.0
157.490966796875	172.0
157.61337280273438	240.0
157.6433563232422	196.0
157.73333740234375	156.0
157.94837951660156	188.0
158.53924560546875	148.0
158.6595458984375	152.0
158.81251525878906	148.0
159.33966064453125	216.0
159.37232971191406	172.0
159.83497619628906	156.0
160.44448852539062	168.0
160.77490234375	232.0
162.42958068847656	204.0
162.57762145996094	248.0
162.848388671875	140.0
163.054443359375	1560.0
163.81240844726562	140.0
164.0558319091797	848.0
164.27125549316406	236.0
165.06887817382812	2148.0
166.06968688964844	992.0
166.23362731933594	148.0
166.77294921875	172.0
166.8783416748047	144.0
166.9657745361328	156.0
167.0429229736328	184.0
167.07302856445312	1888.0
168.06793212890625	484.0
168.2412109375	184.0
168.6829376220703	172.0
168.7398223876953	168.0
169.0800018310547	164.0
169.7833251953125	168.0
170.47906494140625	140.0
171.23609924316406	172.0
172.13319396972656	164.0
172.8023223876953	148.0
172.96456909179688	156.0
173.41770935058594	208.0
174.15234375	168.0
174.29420471191406	172.0
174.51499938964844	160.0
174.7438201904297	208.0
175.02281188964844	192.0
175.1420440673828	104.0
176.05897521972656	184.0
176.69085693359375	168.0
176.73583984375	144.0
177.06541442871094	424.0
177.16209411621094	168.0
177.5782470703125	156.0
177.6233367919922	156.0
178.07769775390625	7300.0
178.56283569335938	144.0
178.66465759277344	240.0
178.95716857910156	136.0
179.02178955078125	180.0
179.08180236816406	2992.0
179.1624755859375	224.0
179.33302307128906	208.0
179.35433959960938	172.0
179.48764038085938	204.0
179.616943359375	140.0
179.8557891845703	152.0
179.93350219726562	220.0
180.0052947998047	280.0
180.03111267089844	164.0
180.08160400390625	36184.0
180.2243194580078	292.0
180.35260009765625	192.0
180.41140747070312	140.0
180.4354705810547	156.0
180.7467803955078	140.0
180.9129638671875	132.0
181.083740234375	4280.0
181.1553497314453	140.0
181.638916015625	132.0
182.0692138671875	424.0
182.09483337402344	328.0
182.34303283691406	112.0
183.065673828125	140.0
183.58238220214844	160.0
184.1273651123047	152.0
184.4706573486328	144.0
184.7849578857422	144.0
184.8736572265625	192.0
185.29063415527344	140.0
185.8654327392578	148.0
186.87890625	172.0
187.12112426757812	160.0
187.62240600585938	144.0
187.8827362060547	392.0
189.03591918945312	248.0
189.0457000732422	128.0
189.6918182373047	168.0
189.84535217285156	180.0
189.97975158691406	200.0
190.06585693359375	25212.0
190.2146759033203	168.0
190.4754638671875	136.0
190.6125946044922	136.0
190.64144897460938	252.0
190.91360473632812	148.0
191.00161743164062	176.0
191.07122802734375	6444.0
191.827880859375	168.0
192.03173828125	204.0
192.07525634765625	5248.0
192.1503448486328	148.0
192.27481079101562	192.0
192.45118713378906	180.0
192.50364685058594	152.0
193.0854034423828	2240.0
193.56358337402344	100.0
193.66795349121094	152.0
193.7888641357422	108.0
193.961669921875	168.0
194.06141662597656	1052.0
194.097412109375	4804.0
194.32217407226562	188.0
194.97772216796875	96.0
195.0845947265625	1304.0
195.5142364501953	172.0
196.07745361328125	864.0
196.87466430664062	168.0
197.4167938232422	164.0
197.51748657226562	140.0
198.208984375	176.0
199.44131469726562	176.0
200.33299255371094	140.0
200.8138885498047	164.0
200.90243530273438	220.0
200.93911743164062	192.0
201.24392700195312	152.0
202.14871215820312	468.0
202.1795654296875	168.0
203.10885620117188	228.0
204.08009338378906	188.0
204.75888061523438	200.0
204.80960083007812	128.0
205.00518798828125	252.0
205.07615661621094	5460.0
205.46139526367188	176.0
205.60690307617188	340.0
205.79368591308594	204.0
205.831787109375	144.0
205.97000122070312	212.0
206.0845184326172	19068.0
206.44680786132812	188.0
206.59158325195312	168.0
206.79156494140625	112.0
206.89108276367188	196.0
206.96067810058594	192.0
206.98251342773438	208.0
207.03237915039062	172.0
207.09268188476562	127176.0
207.20401000976562	144.0
207.25013732910156	128.0
207.27378845214844	160.0
207.39173889160156	200.0
207.5388641357422	180.0
207.57008361816406	236.0
207.664306640625	160.0
207.73751831054688	136.0
207.88426208496094	172.0
208.00347900390625	204.0
208.0943145751953	16160.0
208.1995391845703	188.0
208.35574340820312	140.0
208.40895080566406	108.0
208.8533477783203	112.0
209.0789794921875	1588.0
209.1063232421875	3236.0
209.1373291015625	204.0
209.29507446289062	140.0
209.49244689941406	124.0
209.70199584960938	120.0
209.90020751953125	144.0
210.0455322265625	212.0
210.09201049804688	3656.0
210.2965545654297	144.0
210.48709106445312	156.0
211.06666564941406	156.0
211.09754943847656	684.0
211.55972290039062	148.0
212.6873321533203	148.0
213.08226013183594	172.0
214.03916931152344	152.0
214.2517852783203	228.0
215.0788116455078	176.0
215.15174865722656	160.0
215.7196502685547	156.0
215.76641845703125	144.0
216.77621459960938	164.0
217.07484436035156	312.0
217.0986785888672	224.0
217.99107360839844	160.0
218.07595825195312	168.0
218.25563049316406	208.0
218.44090270996094	152.0
219.08827209472656	320.0
220.07044982910156	128.0
220.62014770507812	196.0
220.7117919921875	180.0
221.1079559326172	348.0
221.318359375	180.0
222.05575561523438	148.0
222.09349060058594	136.0
222.11680603027344	272.0
222.9022979736328	160.0
222.9825439453125	152.0
223.09642028808594	140.0
223.79165649414062	160.0
224.12060546875	172.0
224.5574951171875	220.0
224.7991485595703	176.0
225.09597778320312	172.0
231.10939025878906	144.0
231.88461303710938	184.0
232.75221252441406	152.0
233.10537719726562	180.0
233.13311767578125	204.0
233.35989379882812	196.0
234.0716094970703	220.0
234.08367919921875	160.0
234.09576416015625	180.0
234.17237854003906	248.0
234.32469177246094	236.0
234.5211639404297	192.0
234.6020050048828	156.0
234.81944274902344	116.0
234.90524291992188	100.0
234.95838928222656	144.0
234.99610900878906	168.0
235.0987091064453	105956.0
235.45606994628906	132.0
235.5255584716797	164.0
235.5917205810547	132.0
235.83123779296875	148.0
235.91555786132812	196.0
236.02780151367188	252.0
236.10079956054688	15376.0
236.20375061035156	204.0
236.64585876464844	268.0
236.8362579345703	228.0
236.90081787109375	108.0
237.10313415527344	1076.0
237.31407165527344	124.0
237.4022216796875	112.0
237.58673095703125	152.0
237.7186737060547	240.0
237.81314086914062	184.0
237.9993896484375	164.0
238.07684326171875	180.0
238.12203979492188	128.0
238.3593292236328	144.0
238.56912231445312	116.0
238.7979736328125	136.0
239.26161193847656	152.0
240.01954650878906	160.0
240.46685791015625	200.0
242.4895477294922	192.0
242.61973571777344	144.0
244.89431762695312	272.0
245.12484741210938	232.0
246.1290283203125	252.0
247.08621215820312	640.0
247.42051696777344	220.0
248.09243774414062	308.0
249.1083984375	292.0
249.1370849609375	384.0
250.1422119140625	208.0
250.63665771484375	192.0
251.10635375976562	176.0
254.1304931640625	148.0
255.52207946777344	168.0
257.6772766113281	140.0
257.98089599609375	188.0
258.0288391113281	152.0
260.6377868652344	152.0
261.09747314453125	140.0
261.13348388671875	132.0
261.4424133300781	152.0
261.60906982421875	156.0
263.1524658203125	320.0
263.3276672363281	160.0
263.5473327636719	228.0
264.1163024902344	164.0
265.5057373046875	168.0
266.02813720703125	212.0
271.1327209472656	140.0
271.32281494140625	164.0
273.13946533203125	444.0
273.7015380859375	184.0
275.1235046386719	156.0
275.561767578125	148.0
276.1191101074219	112.0
276.2497253417969	124.0
277.20294189453125	156.0
277.8461608886719	160.0
278.1689453125	648.0
279.16778564453125	152.0
282.6171875	148.0
282.91839599609375	156.0
283.7358093261719	212.0
284.5141296386719	192.0
287.783203125	148.0
289.6540222167969	148.0
289.9955749511719	180.0
290.0556640625	148.0
290.1376647949219	700.0
290.3040771484375	160.0
290.3345947265625	280.0
290.4822998046875	184.0
290.78582763671875	200.0
290.8624267578125	240.0
290.9236145019531	296.0
291.0154113769531	168.0
291.0296325683594	168.0
291.0625915527344	272.0
291.10504150390625	248.0
291.1504211425781	102392.0
291.2295227050781	204.0
291.3213195800781	136.0
291.36199951171875	96.0
291.41644287109375	112.0
291.5328369140625	180.0
291.57373046875	132.0
291.6641845703125	208.0
291.7271423339844	108.0
291.75885009765625	108.0
291.7851867675781	152.0
291.9224548339844	152.0
292.0514221191406	104.0
292.0799865722656	136.0
292.15338134765625	19208.0
292.2342834472656	176.0
292.2890930175781	148.0
292.36676025390625	176.0
292.4147644042969	124.0
292.5202331542969	116.0
292.580810546875	112.0
292.72015380859375	152.0
293.1565856933594	2124.0
293.61651611328125	108.0
293.7358703613281	136.0
293.8045654296875	148.0
293.8559875488281	120.0
293.9705505371094	164.0
294.0133361816406	148.0
294.10687255859375	292.0
294.1698913574219	148.0
294.3797912597656	120.0
294.809814453125	96.0
296.2482604980469	148.0
298.1216125488281	168.0
303.6116943359375	104.0
303.8915710449219	148.0
304.8499450683594	216.0
305.1314697265625	160.0
305.4896545410156	140.0
305.9316101074219	152.0
305.95947265625	160.0
306.03094482421875	188.0
306.0846862792969	124.0
306.17181396484375	42676.0
306.3564758300781	144.0
306.4322814941406	184.0
306.5900573730469	176.0
306.7762756347656	120.0
306.97222900390625	108.0
307.017822265625	144.0
307.109375	144.0
307.17498779296875	7988.0
307.3970031738281	108.0
307.6102294921875	96.0
308.087158203125	104.0
308.17657470703125	904.0
308.3866882324219	96.0
308.97967529296875	120.0
309.1828308105469	420.0
309.2665100097656	116.0
309.42608642578125	136.0
309.5113830566406	108.0
310.0857238769531	112.0
319.9043884277344	164.0
321.012451171875	216.0
322.1581115722656	148.0
323.1985168457031	160.0
324.1689147949219	300.0
324.3839111328125	156.0
325.1748046875	164.0
327.2759704589844	176.0
331.93353271484375	152.0
331.9988098144531	156.0
332.5829162597656	148.0
333.2402038574219	148.0
334.2218933105469	144.0
338.935791015625	140.0
339.4673156738281	144.0
342.1973571777344	152.0
345.19244384765625	220.0
346.1914367675781	104.0
351.4934387207031	156.0
351.9189453125	168.0
352.10498046875	160.0
352.1776428222656	37696.0
352.5450744628906	108.0
352.797607421875	104.0
353.18121337890625	5832.0
353.71978759765625	152.0
354.18359375	1252.0
355.1781005859375	180.0
355.399658203125	160.0
355.5596008300781	140.0
357.9106140136719	180.0
358.09478759765625	132.0
362.01898193359375	168.0
362.1467590332031	168.0
362.22320556640625	26188.0
362.85552978515625	184.0
363.16107177734375	120.0
363.2264099121094	6984.0
363.5378112792969	104.0
363.6511535644531	100.0
364.2252197265625	1052.0
365.1841125488281	140.0
365.6102294921875	192.0
365.69696044921875	164.0
377.4718017578125	156.0
385.0810241699219	172.0
388.6590270996094	148.0
390.2247619628906	1100.0
391.22711181640625	332.0
392.210205078125	160.0
400.4356384277344	180.0
408.2283630371094	10644.0
409.2315979003906	2188.0
410.2353820800781	632.0
411.7093200683594	156.0
416.0335998535156	144.0
417.484130859375	188.0
418.0346984863281	200.0
418.223876953125	20664.0
418.2872314453125	292.0
418.5502624511719	228.0
419.22894287109375	3492.0
420.22802734375	744.0
421.2335510253906	128.0
436.2349853515625	3192.0
436.87005615234375	180.0
437.2371520996094	952.0
437.3486022949219	160.0
438.2457580566406	144.0
663.1058959960938	144.0
696.8008422851562	148.0
1355.131103515625	156.0
1355.5853271484375	180.0
1414.0335693359375	288.0
1488.78271484375	156.0
1528.6256103515625	176.0
1537.322021484375	148.0
1560.9007568359375	176.0
1594.39501953125	156.0
1596.0882568359375	152.0
1598.1641845703125	164.0
1606.457763671875	156.0
1607.15185546875	200.0
1613.5013427734375	184.0
1619.5189208984375	168.0
1632.4801025390625	152.0
1633.7589111328125	168.0
1640.9910888671875	236.0
1653.794921875	152.0
1657.6497802734375	148.0
1659.360107421875	224.0
1660.8116455078125	148.0
1672.1864013671875	144.0
1704.760009765625	152.0
1737.9217529296875	144.0
1742.363525390625	144.0
1747.28515625	204.0
1750.597900390625	148.0
1751.489013671875	164.0
1767.3759765625	228.0
1771.72119140625	156.0
1790.7132568359375	144.0
1801.8055419921875	144.0
1809.7049560546875	180.0
1821.390869140625	152.0
1835.4757080078125	168.0
1836.251708984375	140.0
1837.7615966796875	184.0
1840.7149658203125	172.0
1858.707763671875	152.0
1889.2332763671875	172.0
1895.7789306640625	192.0
1899.541748046875	172.0
1902.9176025390625	140.0
1911.5399169921875	332.0
1916.302734375	148.0
1916.6339111328125	308.0
1919.4144287109375	184.0
1932.5423583984375	168.0
1936.1575927734375	140.0
1940.161865234375	208.0
1942.8892822265625	148.0
1945.785400390625	208.0
1948.4200439453125	188.0
1951.7335205078125	232.0
1957.620361328125	140.0
1962.4754638671875	148.0
1962.598876953125	224.0
1965.91552734375	200.0
1977.3511962890625	160.0
1978.342529296875	188.0
1984.322509765625	156.0
1986.5218505859375	172.0
1989.1839599609375	140.0
1991.3238525390625	196.0
1999.1204833984375	160.0
2002.993408203125	196.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079132
PEPMASS=275.135925
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Chlorpheniramine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2
INCHI=InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
INCHIAUX=SOYKEARSMXGVTM-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079132
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079132
SCANS=1066
45.04979705810547	120.0
45.162261962890625	148.0
45.35641098022461	156.0
45.41272735595703	176.0
45.44894790649414	148.0
45.4970588684082	156.0
45.57646942138672	136.0
45.82124710083008	160.0
45.857765197753906	192.0
45.90830993652344	120.0
45.93057632446289	152.0
45.98531723022461	140.0
46.04125213623047	204.0
46.12724304199219	260.0
46.15611267089844	152.0
46.233219146728516	184.0
46.33884048461914	204.0
46.3808479309082	180.0
46.607093811035156	96.0
46.637386322021484	160.0
46.83604431152344	156.0
46.8551139831543	172.0
46.89599609375	176.0
46.94780349731445	144.0
46.97260665893555	216.0
47.003089904785156	140.0
47.17676544189453	156.0
47.45099639892578	196.0
47.497257232666016	120.0
47.51271057128906	172.0
47.56348419189453	240.0
47.581329345703125	176.0
47.925174713134766	140.0
47.996849060058594	168.0
48.00650405883789	172.0
48.03822326660156	148.0
48.09341812133789	176.0
48.1083869934082	152.0
48.27717208862305	140.0
48.331119537353516	172.0
48.37976837158203	160.0
48.408634185791016	152.0
48.49037170410156	192.0
48.527801513671875	144.0
48.70955276489258	116.0
48.763790130615234	160.0
48.81522750854492	164.0
48.9688606262207	116.0
49.05174255371094	132.0
49.08537292480469	144.0
49.184181213378906	160.0
49.20117950439453	148.0
49.21234893798828	152.0
49.24726104736328	152.0
49.34647750854492	160.0
49.46678924560547	156.0
49.692420959472656	144.0
49.763999938964844	144.0
49.910125732421875	156.0
49.92278289794922	300.0
49.94747543334961	172.0
49.96779251098633	140.0
50.058135986328125	216.0
50.14944839477539	204.0
50.27073287963867	176.0
50.32719802856445	148.0
50.736080169677734	152.0
50.746002197265625	148.0
50.76585388183594	168.0
50.835365295410156	172.0
50.95463562011719	152.0
50.97168731689453	176.0
51.049827575683594	136.0
51.08258056640625	144.0
51.270240783691406	196.0
51.47452163696289	340.0
51.68750762939453	188.0
51.72758102416992	180.0
51.75907897949219	220.0
51.83929443359375	144.0
51.93342208862305	104.0
51.99417495727539	140.0
52.02862548828125	232.0
52.051597595214844	188.0
52.08462905883789	164.0
52.16444396972656	144.0
52.20104217529297	152.0
52.24131393432617	180.0
52.35502243041992	184.0
52.4442253112793	144.0
52.756507873535156	188.0
53.13267135620117	152.0
53.22120666503906	220.0
53.27494430541992	148.0
53.75687789916992	148.0
53.89267349243164	148.0
53.935691833496094	156.0
54.03512954711914	176.0
54.129634857177734	144.0
54.192081451416016	152.0
54.22779083251953	140.0
54.34267807006836	208.0
54.405277252197266	148.0
54.531898498535156	100.0
54.54777145385742	144.0
54.59776306152344	148.0
54.65274429321289	180.0
54.706642150878906	156.0
54.93800735473633	216.0
55.044677734375	160.0
55.06642532348633	172.0
55.230690002441406	208.0
55.254905700683594	180.0
55.419979095458984	180.0
55.57444763183594	200.0
55.6973991394043	144.0
55.811832427978516	240.0
55.8311653137207	164.0
55.96519088745117	172.0
56.00529861450195	252.0
56.18119430541992	248.0
56.217002868652344	148.0
56.373802185058594	144.0
56.45602035522461	148.0
56.50388717651367	172.0
56.58411407470703	152.0
56.64310836791992	180.0
56.653594970703125	168.0
56.69404983520508	152.0
56.76600646972656	172.0
56.83500671386719	188.0
56.89015197753906	172.0
57.05458068847656	228.0
57.1866569519043	188.0
57.23031234741211	204.0
57.29507827758789	144.0
57.3809814453125	164.0
57.406612396240234	152.0
57.42018508911133	176.0
57.43891525268555	156.0
57.48505783081055	160.0
57.533355712890625	208.0
57.664772033691406	160.0
57.782718658447266	168.0
57.84779357910156	144.0
57.89796447753906	264.0
57.95986557006836	140.0
58.129695892333984	148.0
58.192298889160156	164.0
58.223819732666016	172.0
58.32713317871094	152.0
58.33777618408203	144.0
58.52494812011719	144.0
58.575164794921875	168.0
58.58959197998047	136.0
58.84803771972656	180.0
59.02997589111328	180.0
59.662113189697266	112.0
59.707801818847656	148.0
59.74625778198242	168.0
59.81242752075195	140.0
59.88017272949219	224.0
59.92172622680664	160.0
60.060420989990234	144.0
60.21793746948242	204.0
60.449832916259766	160.0
60.537506103515625	132.0
60.577144622802734	192.0
60.699493408203125	164.0
60.71525955200195	204.0
60.7515754699707	128.0
60.78144073486328	200.0
60.89632034301758	204.0
60.99518585205078	248.0
61.10799026489258	144.0
61.205787658691406	164.0
61.22758865356445	180.0
61.25873947143555	172.0
61.44099426269531	176.0
61.57371139526367	180.0
61.71914291381836	208.0
61.7347412109375	160.0
61.89126205444336	184.0
61.9901008605957	120.0
62.0542106628418	200.0
62.153907775878906	284.0
62.174991607666016	156.0
62.43263626098633	212.0
62.670326232910156	168.0
62.820098876953125	176.0
62.94332504272461	104.0
62.989479064941406	172.0
63.04617691040039	172.0
63.09172058105469	176.0
63.20243453979492	212.0
63.28474044799805	184.0
63.336997985839844	144.0
63.710548400878906	124.0
64.08206176757812	172.0
64.10531616210938	188.0
64.15218353271484	244.0
64.20160675048828	160.0
64.27281951904297	112.0
64.2858657836914	176.0
64.48099517822266	188.0
64.51136016845703	180.0
64.5753173828125	96.0
64.59931182861328	152.0
64.61531066894531	196.0
64.6473159790039	168.0
64.71012115478516	200.0
64.82186126708984	192.0
64.87635040283203	156.0
64.91903686523438	148.0
64.9549331665039	176.0
65.0359115600586	196.0
65.22148132324219	144.0
65.47085571289062	176.0
65.51596069335938	204.0
65.59393310546875	144.0
65.61426544189453	308.0
65.63522338867188	152.0
65.73200988769531	156.0
66.02116394042969	180.0
66.04591369628906	160.0
66.1485366821289	124.0
66.19432067871094	152.0
66.27206420898438	152.0
66.28340911865234	240.0
66.30609893798828	188.0
66.32068634033203	148.0
66.34661865234375	176.0
66.44229888916016	140.0
66.55429077148438	224.0
66.83548736572266	148.0
66.86965942382812	160.0
66.95712280273438	128.0
66.99829864501953	216.0
67.04066467285156	164.0
67.08543395996094	180.0
67.09770965576172	144.0
67.14341735839844	140.0
67.18414306640625	188.0
67.27227020263672	124.0
67.36698150634766	180.0
67.38345336914062	144.0
67.48792266845703	212.0
67.52704620361328	164.0
67.62533569335938	168.0
67.70883178710938	152.0
67.73831939697266	164.0
67.96784210205078	148.0
68.1214828491211	248.0
68.19775390625	172.0
68.27137756347656	164.0
68.35070037841797	160.0
68.54537200927734	160.0
68.59114837646484	144.0
68.62906646728516	144.0
68.75835418701172	96.0
68.91956329345703	172.0
69.09977722167969	164.0
69.20570373535156	184.0
69.28189086914062	196.0
69.35774993896484	200.0
69.44599151611328	220.0
69.53559112548828	164.0
69.7365493774414	152.0
69.7477035522461	252.0
69.78642272949219	164.0
69.86859130859375	268.0
69.93115234375	144.0
70.0477066040039	168.0
70.2660903930664	188.0
70.38292694091797	200.0
70.51322174072266	176.0
70.55668640136719	180.0
70.64301300048828	164.0
70.73902893066406	168.0
70.77011108398438	172.0
70.89646911621094	168.0
70.91993713378906	176.0
70.95748138427734	144.0
71.17324829101562	172.0
71.56165313720703	200.0
71.84478759765625	160.0
71.87853240966797	156.0
72.18089294433594	176.0
72.27899932861328	220.0
72.32807922363281	148.0
72.53812408447266	204.0
72.56355285644531	148.0
72.6304702758789	148.0
72.67549133300781	164.0
72.81978607177734	156.0
72.95613098144531	148.0
73.13773345947266	156.0
73.22967529296875	160.0
73.28929901123047	188.0
73.34553527832031	172.0
73.70734405517578	180.0
73.7227783203125	120.0
73.9462890625	204.0
74.10503387451172	124.0
74.19684600830078	160.0
74.21570587158203	176.0
74.29803466796875	164.0
74.37010192871094	156.0
74.46281433105469	192.0
74.52981567382812	164.0
74.55683898925781	212.0
74.71662139892578	224.0
75.07376098632812	216.0
75.10308074951172	180.0
75.21350860595703	160.0
75.23055267333984	184.0
75.2583999633789	188.0
75.34820556640625	144.0
75.43634033203125	148.0
75.6226806640625	116.0
75.91691589355469	164.0
75.93510437011719	160.0
76.11849212646484	176.0
76.22319030761719	148.0
76.5066909790039	212.0
76.74712371826172	164.0
76.85526275634766	160.0
76.9634780883789	196.0
76.98503875732422	184.0
77.005126953125	160.0
77.14167785644531	176.0
77.3760986328125	188.0
77.58633422851562	144.0
77.61613464355469	148.0
77.65980529785156	168.0
77.8934326171875	192.0
77.9494857788086	172.0
77.98655700683594	152.0
78.20289611816406	164.0
78.26875305175781	148.0
78.28739929199219	152.0
78.37547302246094	192.0
78.46712493896484	280.0
79.05885314941406	160.0
79.07124328613281	144.0
79.09071350097656	196.0
79.1544418334961	144.0
79.69544219970703	164.0
79.79035949707031	148.0
79.85187530517578	172.0
79.87855529785156	176.0
80.30426025390625	184.0
80.39881134033203	144.0
80.41949462890625	164.0
80.47914123535156	192.0
80.57022857666016	140.0
80.61244201660156	128.0
80.67923736572266	240.0
80.7203598022461	144.0
80.74003601074219	164.0
80.77759552001953	204.0
81.23796844482422	172.0
81.36000061035156	152.0
81.74365997314453	184.0
81.84003448486328	152.0
81.91928100585938	260.0
81.9386978149414	140.0
81.96431732177734	148.0
82.11775970458984	104.0
82.15001678466797	148.0
82.16481018066406	152.0
82.28692626953125	144.0
82.52385711669922	152.0
82.57630157470703	144.0
82.9184799194336	148.0
83.13973236083984	144.0
83.2243881225586	176.0
83.28498077392578	148.0
83.56493377685547	148.0
83.62577056884766	208.0
83.6693115234375	124.0
84.06236267089844	236.0
84.16458892822266	172.0
84.19745635986328	144.0
84.29061889648438	196.0
84.3132553100586	176.0
84.52909088134766	184.0
84.66563415527344	148.0
84.69676971435547	180.0
84.85986328125	172.0
84.94789123535156	144.0
84.99375915527344	160.0
85.13951110839844	160.0
85.4880599975586	164.0
85.54512023925781	176.0
85.67955017089844	240.0
85.76984405517578	176.0
85.7987289428711	144.0
85.82621765136719	132.0
85.8477554321289	312.0
85.90540313720703	232.0
85.92290496826172	180.0
86.13334655761719	176.0
86.26904296875	132.0
86.49066925048828	148.0
86.6142807006836	172.0
86.65442657470703	184.0
87.30470275878906	260.0
87.54476928710938	204.0
87.64907836914062	164.0
87.6852035522461	128.0
87.71244812011719	140.0
87.85503387451172	172.0
88.11842346191406	124.0
88.2332763671875	296.0
88.6694107055664	168.0
88.97515869140625	196.0
89.01458740234375	156.0
89.17051696777344	180.0
89.19959259033203	104.0
89.45453643798828	172.0
89.60142517089844	240.0
89.87480926513672	184.0
89.94841003417969	216.0
90.2128677368164	156.0
90.38119506835938	176.0
90.45310974121094	148.0
90.62165832519531	220.0
90.75868225097656	176.0
90.9554214477539	212.0
91.05146789550781	180.0
91.13963317871094	140.0
91.17764282226562	200.0
91.30691528320312	144.0
91.40013122558594	156.0
91.5790786743164	160.0
91.66886138916016	96.0
91.85736846923828	168.0
91.87181091308594	144.0
91.90888214111328	180.0
91.95338439941406	112.0
92.02530670166016	180.0
92.06159210205078	156.0
92.17620849609375	144.0
92.35208892822266	200.0
92.51090240478516	152.0
92.61761474609375	204.0
92.68115997314453	152.0
92.87882232666016	236.0
93.0093002319336	148.0
93.04193115234375	152.0
93.11775970458984	132.0
93.14946746826172	160.0
93.22824096679688	184.0
93.28205871582031	192.0
93.39743041992188	164.0
93.46283721923828	184.0
93.49088287353516	188.0
93.53789520263672	164.0
93.69285583496094	120.0
93.74397277832031	160.0
93.87506103515625	148.0
93.89627075195312	152.0
93.92520141601562	156.0
94.03961944580078	148.0
94.10853576660156	148.0
94.20317077636719	188.0
94.45889282226562	180.0
94.64186096191406	168.0
94.68284606933594	176.0
94.74747467041016	204.0
94.92896270751953	164.0
95.03564453125	172.0
95.10163116455078	296.0
95.1152114868164	320.0
95.25502014160156	176.0
95.42020416259766	168.0
95.49081420898438	232.0
95.6195068359375	160.0
95.65355682373047	120.0
95.7125473022461	208.0
95.7607421875	176.0
95.84739685058594	116.0
95.8920669555664	152.0
96.01020050048828	148.0
96.45144653320312	180.0
96.66071319580078	188.0
96.83807373046875	200.0
96.95516967773438	220.0
97.27368927001953	112.0
97.3487548828125	176.0
97.7213363647461	116.0
97.84818267822266	152.0
97.99195861816406	144.0
98.09049224853516	180.0
98.23641204833984	148.0
98.25410461425781	132.0
98.32717895507812	188.0
98.35678100585938	208.0
98.49895477294922	188.0
98.62936401367188	204.0
98.7499771118164	148.0
98.99933624267578	180.0
99.18953704833984	188.0
99.20341491699219	156.0
99.52679443359375	144.0
99.55459594726562	204.0
99.5751953125	108.0
99.6976318359375	176.0
99.92828369140625	264.0
100.03973388671875	172.0
100.14925384521484	144.0
100.28672790527344	148.0
100.35603332519531	204.0
100.50210571289062	180.0
100.60388946533203	172.0
100.65294647216797	160.0
100.8651351928711	164.0
101.05640411376953	180.0
101.14561462402344	276.0
101.3438720703125	200.0
101.57843017578125	148.0
101.73094177246094	164.0
101.79920196533203	160.0
101.88556671142578	156.0
102.05238342285156	284.0
102.08656311035156	188.0
102.10667419433594	148.0
102.20122528076172	148.0
102.22737884521484	168.0
102.35218048095703	140.0
102.38188171386719	96.0
102.45691680908203	160.0
102.60318756103516	232.0
102.81582641601562	156.0
102.886474609375	160.0
102.98137664794922	172.0
103.01571655273438	292.0
103.15110778808594	140.0
103.17536163330078	164.0
103.22793579101562	100.0
103.37667846679688	248.0
103.46668243408203	148.0
103.50110626220703	140.0
103.54768371582031	172.0
103.56329345703125	192.0
103.60237121582031	144.0
103.6246566772461	144.0
103.67936706542969	156.0
104.0525894165039	216.0
104.26626586914062	164.0
104.2821273803711	164.0
104.4660415649414	168.0
104.51993560791016	192.0
104.6583251953125	164.0
104.72364044189453	176.0
104.85810852050781	172.0
104.91593170166016	152.0
105.14566802978516	160.0
105.24632263183594	144.0
105.4663314819336	180.0
105.57816314697266	160.0
105.67216491699219	220.0
105.71583557128906	144.0
105.7608642578125	180.0
105.92262268066406	152.0
105.93696594238281	164.0
106.00778198242188	120.0
106.46819305419922	148.0
106.4920883178711	208.0
106.82171630859375	156.0
106.84845733642578	140.0
106.95134735107422	168.0
106.96575164794922	164.0
107.10783386230469	156.0
107.33612060546875	140.0
107.3592758178711	164.0
107.45199584960938	200.0
107.47479248046875	160.0
107.56353759765625	180.0
107.609619140625	148.0
107.7184066772461	156.0
107.88165283203125	140.0
108.03831481933594	164.0
108.08415222167969	176.0
108.1253662109375	160.0
108.2644271850586	184.0
108.31620788574219	156.0
108.33629608154297	172.0
108.46332550048828	144.0
108.48198699951172	148.0
108.7278060913086	116.0
108.81462097167969	140.0
108.92605590820312	140.0
109.09437561035156	204.0
109.1421890258789	268.0
109.24617767333984	276.0
109.26065063476562	124.0
109.44058227539062	220.0
109.466796875	212.0
109.54177856445312	192.0
109.69493865966797	200.0
109.89826965332031	156.0
110.06734466552734	148.0
110.15923309326172	180.0
110.2448959350586	156.0
110.62137603759766	164.0
110.72606658935547	188.0
110.85131072998047	280.0
110.88529205322266	140.0
110.92557525634766	172.0
110.94114685058594	148.0
110.97579956054688	136.0
111.02156066894531	184.0
111.08238220214844	184.0
111.11804962158203	140.0
111.24396514892578	168.0
111.39588928222656	160.0
111.59480285644531	160.0
111.65635681152344	192.0
111.68102264404297	164.0
111.73538208007812	176.0
111.77780151367188	204.0
112.24964141845703	168.0
112.41629028320312	192.0
112.50071716308594	200.0
112.57250213623047	148.0
112.66966247558594	152.0
112.75358581542969	184.0
112.7894058227539	192.0
112.82816314697266	152.0
112.84507751464844	140.0
113.06271362304688	108.0
113.35730743408203	168.0
113.63082885742188	152.0
113.6923599243164	156.0
113.81123352050781	224.0
113.9556655883789	208.0
113.98328399658203	180.0
114.21365356445312	200.0
114.38643646240234	192.0
114.4737777709961	164.0
114.55001068115234	180.0
114.6424789428711	180.0
114.75499725341797	148.0
114.92015075683594	152.0
114.99484252929688	160.0
115.08136749267578	112.0
115.0987777709961	128.0
115.35581970214844	204.0
115.68524932861328	140.0
115.75804138183594	144.0
115.90664672851562	96.0
115.98513793945312	140.0
116.04302215576172	144.0
116.06446075439453	400.0
116.086669921875	124.0
116.13094329833984	140.0
116.2349853515625	168.0
116.40779113769531	144.0
116.52497100830078	232.0
116.69570922851562	164.0
116.75161743164062	244.0
116.8505630493164	228.0
116.96031188964844	188.0
117.00767517089844	172.0
117.03350830078125	180.0
117.0571517944336	1448.0
117.28125	124.0
117.49473571777344	236.0
117.55514526367188	180.0
117.80200958251953	248.0
117.93724822998047	160.0
118.04334259033203	164.0
118.06527709960938	5012.0
118.29647827148438	216.0
118.34627532958984	180.0
118.5108871459961	164.0
118.66693878173828	148.0
118.83610534667969	168.0
119.07032012939453	780.0
119.28130340576172	156.0
119.39384460449219	184.0
119.5199203491211	184.0
119.64122772216797	176.0
119.7011947631836	188.0
119.8138198852539	124.0
119.97136688232422	180.0
120.00406646728516	164.0
120.15237426757812	172.0
120.23907470703125	196.0
120.40323638916016	116.0
120.55412292480469	180.0
120.73776245117188	152.0
121.00909423828125	184.0
121.14048767089844	160.0
121.35526275634766	156.0
121.41885375976562	148.0
121.67119598388672	216.0
121.72388458251953	152.0
121.85252380371094	184.0
121.90118408203125	208.0
121.93698120117188	216.0
121.95455932617188	192.0
122.24706268310547	168.0
122.36951446533203	152.0
122.5421142578125	152.0
122.61483001708984	184.0
122.73713684082031	160.0
123.0096435546875	200.0
123.07587432861328	212.0
123.21060180664062	176.0
123.27025604248047	152.0
123.35285949707031	152.0
123.52671813964844	184.0
124.11360931396484	216.0
124.1291275024414	176.0
124.5189208984375	180.0
124.61966705322266	200.0
124.96651458740234	144.0
125.01521301269531	3768.0
125.15003967285156	140.0
125.46873474121094	96.0
125.59249114990234	152.0
125.6259536743164	276.0
125.88824462890625	224.0
125.94962310791016	160.0
126.01741790771484	240.0
126.06133270263672	164.0
126.13075256347656	128.0
126.42680358886719	148.0
126.89398193359375	164.0
126.99040985107422	176.0
127.0128402709961	1044.0
127.04424285888672	176.0
127.09584045410156	160.0
127.12501525878906	144.0
127.19234466552734	200.0
127.34812927246094	168.0
127.6866455078125	160.0
127.83287048339844	168.0
127.91679382324219	180.0
128.0145263671875	132.0
128.03997802734375	188.0
128.06475830078125	152.0
128.14134216308594	176.0
128.25852966308594	216.0
128.27430725097656	164.0
128.30252075195312	108.0
128.47010803222656	144.0
128.55848693847656	168.0
128.72328186035156	232.0
129.1570281982422	164.0
129.5102996826172	176.0
129.69497680664062	144.0
129.74595642089844	160.0
129.80679321289062	144.0
130.00225830078125	152.0
130.29971313476562	156.0
130.59939575195312	96.0
130.82276916503906	208.0
131.46778869628906	156.0
131.79432678222656	176.0
131.88345336914062	144.0
132.12583923339844	240.0
132.17735290527344	96.0
132.2333984375	192.0
132.7396697998047	104.0
132.83599853515625	248.0
133.0762939453125	204.0
133.20556640625	188.0
133.43768310546875	152.0
133.5342559814453	220.0
133.92782592773438	200.0
134.0130615234375	140.0
134.04071044921875	176.0
134.07298278808594	160.0
134.31967163085938	160.0
134.6197052001953	212.0
134.76292419433594	164.0
134.85073852539062	200.0
134.9154510498047	140.0
134.931640625	140.0
134.9871368408203	196.0
135.20458984375	172.0
135.22384643554688	160.0
135.3759002685547	144.0
135.40830993652344	156.0
135.46389770507812	144.0
135.6859893798828	96.0
135.7301483154297	168.0
135.8603057861328	152.0
135.88119506835938	144.0
136.0204315185547	144.0
136.12393188476562	144.0
136.2548370361328	132.0
136.28982543945312	212.0
136.32754516601562	172.0
136.3758087158203	164.0
136.4013671875	160.0
136.42694091796875	144.0
136.65020751953125	232.0
136.6851043701172	160.0
136.9155731201172	148.0
137.0155487060547	388.0
137.12057495117188	188.0
137.18118286132812	148.0
137.22781372070312	196.0
137.2604522705078	200.0
137.65713500976562	160.0
137.68983459472656	180.0
137.7061767578125	164.0
137.76223754882812	212.0
138.06517028808594	152.0
138.32814025878906	184.0
138.3843231201172	152.0
138.4100799560547	164.0
138.50376892089844	156.0
138.59165954589844	116.0
138.84629821777344	164.0
139.05654907226562	416.0
139.20970153808594	180.0
139.40798950195312	176.0
139.49868774414062	252.0
139.559814453125	144.0
140.02574157714844	176.0
140.0565185546875	556.0
140.08462524414062	200.0
140.20562744140625	136.0
140.35801696777344	236.0
140.73553466796875	156.0
140.8423614501953	104.0
140.88905334472656	224.0
140.9788360595703	152.0
141.25807189941406	120.0
141.27674865722656	156.0
141.29331970214844	156.0
141.67919921875	192.0
141.74554443359375	168.0
141.77635192871094	148.0
141.83651733398438	164.0
142.02528381347656	176.0
142.1114501953125	124.0
142.18055725097656	152.0
142.3171844482422	148.0
142.4216766357422	152.0
142.51385498046875	144.0
142.54995727539062	148.0
142.66461181640625	152.0
142.9090118408203	156.0
142.93858337402344	100.0
143.0041961669922	152.0
143.2808837890625	120.0
143.32765197753906	184.0
143.53782653808594	200.0
143.61891174316406	200.0
143.73341369628906	176.0
144.1728057861328	140.0
144.2134246826172	140.0
144.28036499023438	208.0
144.46450805664062	176.0
144.5355987548828	296.0
144.579345703125	224.0
144.82594299316406	176.0
144.87770080566406	132.0
144.90260314941406	140.0
144.92176818847656	172.0
145.139892578125	164.0
145.2318572998047	136.0
145.31497192382812	208.0
145.3875732421875	176.0
145.91299438476562	160.0
145.9899444580078	160.0
146.06690979003906	176.0
146.11502075195312	172.0
146.1920166015625	272.0
146.2767333984375	196.0
146.39903259277344	164.0
146.55250549316406	224.0
146.689208984375	240.0
146.83041381835938	184.0
147.09823608398438	196.0
147.12478637695312	152.0
147.170654296875	152.0
147.2117156982422	148.0
147.30348205566406	204.0
147.4895477294922	172.0
147.5378875732422	196.0
147.76522827148438	152.0
147.85475158691406	168.0
148.14288330078125	140.0
148.17437744140625	152.0
148.27857971191406	268.0
148.3415985107422	204.0
148.4337158203125	224.0
148.4700927734375	244.0
148.55014038085938	176.0
148.63116455078125	324.0
148.69435119628906	128.0
148.7649688720703	128.0
148.97703552246094	168.0
149.29205322265625	164.0
149.3551025390625	124.0
149.65591430664062	180.0
149.86538696289062	192.0
149.94705200195312	200.0
150.0696258544922	140.0
150.32135009765625	172.0
150.81712341308594	152.0
151.2607421875	140.0
151.3381805419922	172.0
151.447021484375	108.0
151.68360900878906	176.0
151.7792205810547	176.0
151.850341796875	148.0
152.00355529785156	220.0
152.2479248046875	160.0
152.4603729248047	192.0
152.77117919921875	184.0
152.87232971191406	176.0
152.91311645507812	140.0
153.07078552246094	176.0
153.26385498046875	188.0
153.29965209960938	212.0
153.4459228515625	96.0
153.58958435058594	152.0
153.77430725097656	256.0
153.85269165039062	96.0
153.89773559570312	140.0
153.95700073242188	160.0
154.2337188720703	180.0
154.39117431640625	140.0
154.45872497558594	280.0
154.4933624267578	208.0
154.62449645996094	172.0
154.6572265625	196.0
154.8572235107422	156.0
155.02816772460938	212.0
155.14366149902344	188.0
155.3380889892578	164.0
155.4149932861328	180.0
155.58016967773438	180.0
155.77926635742188	132.0
155.88429260253906	176.0
155.97872924804688	144.0
156.0487823486328	136.0
156.17019653320312	152.0
156.44888305664062	204.0
156.52357482910156	144.0
156.61572265625	144.0
156.68048095703125	172.0
156.82749938964844	156.0
156.98207092285156	168.0
157.19532775878906	156.0
157.3089141845703	196.0
157.5870819091797	252.0
157.77606201171875	180.0
157.8235626220703	144.0
158.2013397216797	164.0
158.22137451171875	308.0
158.2414093017578	212.0
158.26895141601562	288.0
158.3411102294922	156.0
158.43675231933594	180.0
158.52316284179688	128.0
158.59962463378906	200.0
158.6597900390625	144.0
158.975830078125	144.0
159.01239013671875	176.0
159.13943481445312	156.0
159.2143096923828	156.0
159.24696350097656	244.0
159.53900146484375	212.0
159.6339874267578	172.0
159.65158081054688	156.0
159.74464416503906	148.0
159.78993225097656	160.0
159.98513793945312	192.0
160.00987243652344	148.0
160.13983154296875	184.0
160.26333618164062	148.0
160.40167236328125	152.0
160.43968200683594	180.0
160.62124633789062	184.0
160.9578857421875	124.0
160.9850616455078	268.0
161.13369750976562	180.0
161.4142608642578	148.0
161.8824005126953	188.0
161.97903442382812	200.0
162.17626953125	152.0
162.19517517089844	192.0
162.33091735839844	172.0
162.5186309814453	172.0
162.5972900390625	180.0
162.6378936767578	164.0
162.7165985107422	140.0
162.9477081298828	168.0
162.9832763671875	144.0
163.15966796875	120.0
163.2200164794922	172.0
163.36463928222656	140.0
163.4078826904297	140.0
163.44140625	152.0
163.50457763671875	164.0
163.52748107910156	152.0
163.65985107421875	168.0
163.71780395507812	164.0
163.74916076660156	232.0
163.82284545898438	164.0
163.9171142578125	184.0
164.23324584960938	140.0
164.3505859375	188.0
164.3760986328125	312.0
164.41183471679688	156.0
164.50241088867188	180.0
164.55987548828125	140.0
164.62115478515625	152.0
164.68663024902344	168.0
164.8246612548828	168.0
164.9149627685547	276.0
164.94482421875	152.0
165.2525177001953	188.0
165.46493530273438	172.0
165.5084686279297	176.0
165.6446075439453	172.0
165.9953155517578	252.0
166.06503295898438	1660.0
166.3134307861328	184.0
166.49790954589844	212.0
166.51626586914062	152.0
166.5984649658203	148.0
166.675537109375	140.0
166.74713134765625	228.0
166.82460021972656	172.0
166.90679931640625	140.0
166.97630310058594	164.0
167.00570678710938	132.0
167.03341674804688	156.0
167.073974609375	123184.0
167.14991760253906	180.0
167.17398071289062	152.0
167.2526092529297	188.0
167.28175354003906	152.0
167.3494873046875	100.0
167.4237518310547	228.0
167.49810791015625	120.0
167.55758666992188	164.0
167.613037109375	140.0
167.73350524902344	136.0
167.77732849121094	140.0
167.81410217285156	136.0
167.8547821044922	176.0
168.07717895507812	13584.0
168.1949920654297	200.0
168.4778594970703	148.0
168.53701782226562	100.0
168.71421813964844	228.0
168.99688720703125	104.0
169.0775909423828	620.0
169.1683807373047	100.0
169.30682373046875	120.0
169.6046905517578	148.0
169.79306030273438	112.0
169.85101318359375	180.0
169.88992309570312	144.0
170.05477905273438	100.0
170.13905334472656	192.0
170.23646545410156	124.0
170.26889038085938	188.0
170.35440063476562	112.0
170.5546875	236.0
170.66127014160156	144.0
171.0104522705078	140.0
171.2650146484375	152.0
171.4552001953125	156.0
171.5217742919922	200.0
171.67770385742188	196.0
172.24314880371094	156.0
172.29364013671875	172.0
172.38507080078125	100.0
172.4913787841797	176.0
172.99887084960938	140.0
173.09312438964844	176.0
173.14610290527344	156.0
173.27645874023438	144.0
173.33148193359375	348.0
173.45204162597656	156.0
173.52806091308594	156.0
173.5595245361328	176.0
173.65655517578125	240.0
173.99940490722656	236.0
174.13685607910156	144.0
174.16836547851562	276.0
174.2051544189453	140.0
174.2708282470703	144.0
174.48634338378906	176.0
174.63198852539062	144.0
174.99411010742188	184.0
175.01901245117188	96.0
175.304931640625	196.0
175.63912963867188	152.0
175.70306396484375	140.0
176.01834106445312	112.0
176.09637451171875	236.0
176.2061309814453	160.0
176.2469482421875	168.0
176.27073669433594	164.0
176.34381103515625	104.0
176.3657684326172	100.0
176.50070190429688	148.0
176.62667846679688	408.0
176.85943603515625	172.0
176.90557861328125	180.0
177.13320922851562	140.0
177.20474243164062	156.0
177.27098083496094	140.0
177.30825805664062	120.0
177.38760375976562	252.0
177.4141082763672	200.0
177.47244262695312	160.0
177.59353637695312	132.0
177.65155029296875	172.0
177.85911560058594	148.0
177.90853881835938	164.0
178.07675170898438	148.0
178.1916961669922	152.0
178.6688690185547	120.0
178.94436645507812	204.0
178.9896240234375	148.0
179.0727081298828	188.0
179.10946655273438	164.0
179.1307830810547	180.0
179.19471740722656	208.0
179.23468017578125	184.0
179.32839965820312	144.0
179.5492401123047	160.0
179.7445068359375	160.0
179.78836059570312	132.0
179.8213653564453	164.0
179.8800811767578	156.0
179.9281463623047	160.0
180.0217742919922	180.0
180.08163452148438	12220.0
180.14712524414062	140.0
180.3378143310547	96.0
180.3635711669922	256.0
180.46481323242188	128.0
180.4972381591797	216.0
180.98422241210938	188.0
181.04217529296875	192.0
181.08694458007812	1940.0
181.36007690429688	184.0
181.70199584960938	104.0
181.858154296875	192.0
181.96551513671875	188.0
182.08367919921875	176.0
182.12518310546875	132.0
182.20069885253906	176.0
182.34426879882812	188.0
182.4343719482422	116.0
182.4840545654297	140.0
182.65347290039062	156.0
182.86065673828125	144.0
182.96253967285156	160.0
183.73638916015625	188.0
183.97947692871094	108.0
184.0332794189453	196.0
184.238525390625	176.0
184.26014709472656	156.0
184.4466094970703	144.0
184.49423217773438	156.0
184.5168914794922	188.0
184.65750122070312	172.0
184.70619201660156	160.0
184.83416748046875	144.0
185.12319946289062	148.0
185.15005493164062	180.0
185.16954040527344	228.0
185.41014099121094	156.0
185.54217529296875	112.0
185.64869689941406	192.0
185.83314514160156	148.0
186.31097412109375	148.0
186.60720825195312	160.0
186.6507110595703	144.0
186.68605041503906	144.0
186.7078094482422	164.0
186.99620056152344	152.0
187.38558959960938	180.0
187.83135986328125	112.0
187.9990997314453	248.0
188.18197631835938	200.0
188.47409057617188	160.0
188.567138671875	204.0
189.25924682617188	216.0
189.35781860351562	168.0
189.6617431640625	164.0
189.9910125732422	168.0
190.48861694335938	120.0
190.5736846923828	152.0
190.61151123046875	172.0
190.66098022460938	184.0
191.02398681640625	140.0
191.07931518554688	196.0
191.70120239257812	152.0
192.08221435546875	560.0
192.38156127929688	212.0
192.42662048339844	236.0
192.66249084472656	128.0
192.8519744873047	180.0
193.08871459960938	1664.0
193.208740234375	204.0
193.35816955566406	228.0
193.38107299804688	100.0
193.7560577392578	132.0
193.76527404785156	152.0
193.83447265625	184.0
193.94715881347656	152.0
194.06167602539062	136.0
194.09652709960938	10388.0
194.208740234375	180.0
194.30581665039062	172.0
194.9197235107422	116.0
195.02503967285156	224.0
195.10357666015625	6668.0
195.2196502685547	220.0
195.35037231445312	140.0
195.5479278564453	320.0
195.6314239501953	152.0
195.65499877929688	124.0
195.72206115722656	144.0
195.90423583984375	124.0
195.94583129882812	152.0
196.10894775390625	880.0
196.62649536132812	144.0
196.7353515625	144.0
197.02578735351562	148.0
197.1083526611328	288.0
197.25347900390625	216.0
198.33749389648438	112.0
198.4293212890625	276.0
199.13504028320312	152.0
199.1771697998047	156.0
199.21353149414062	216.0
199.31764221191406	196.0
199.3541717529297	152.0
199.45252990722656	140.0
199.85186767578125	184.0
200.03173828125	176.0
200.31027221679688	164.0
200.37490844726562	140.0
200.49046325683594	184.0
200.49664306640625	144.0
200.57281494140625	232.0
200.6376495361328	148.0
200.66302490234375	164.0
200.7165985107422	172.0
200.82376098632812	164.0
200.8836669921875	316.0
201.03492736816406	17960.0
201.2628631591797	100.0
201.4488525390625	140.0
201.71884155273438	152.0
201.76690673828125	144.0
201.881103515625	184.0
201.93836975097656	156.0
201.9822540283203	156.0
202.04234313964844	30256.0
202.17889404296875	116.0
202.2976531982422	156.0
202.35289001464844	128.0
202.41287231445312	176.0
202.6807098388672	212.0
202.81350708007812	180.0
202.94468688964844	180.0
202.97311401367188	144.0
203.0371856689453	3220.0
203.1844024658203	192.0
203.2097625732422	108.0
203.45535278320312	160.0
203.56396484375	156.0
203.6001739501953	204.0
203.6219482421875	96.0
203.6541290283203	248.0
203.91552734375	144.0
204.03958129882812	7972.0
204.10882568359375	188.0
204.27662658691406	196.0
204.46966552734375	360.0
204.50363159179688	148.0
204.55079650878906	140.0
204.60464477539062	120.0
204.63079833984375	112.0
204.65655517578125	136.0
204.7291717529297	140.0
204.96224975585938	136.0
205.04354858398438	952.0
205.15086364746094	164.0
205.2436981201172	176.0
205.31509399414062	120.0
205.49879455566406	180.0
205.59010314941406	140.0
205.7213897705078	144.0
205.74993896484375	264.0
205.7838134765625	180.0
206.1126708984375	176.0
206.42538452148438	128.0
206.7493896484375	272.0
206.85052490234375	168.0
206.9364013671875	180.0
206.99366760253906	172.0
207.22787475585938	172.0
207.27438354492188	152.0
207.3804168701172	140.0
207.46641540527344	224.0
207.64132690429688	188.0
207.72402954101562	192.0
207.89378356933594	184.0
208.02163696289062	176.0
208.9289093017578	136.0
209.0605010986328	172.0
209.09165954589844	360.0
209.3829345703125	192.0
209.44508361816406	132.0
209.7334747314453	216.0
209.7949676513672	148.0
210.17567443847656	168.0
210.19876098632812	148.0
210.229248046875	172.0
210.3892364501953	168.0
211.45294189453125	140.0
211.66717529296875	172.0
211.71310424804688	148.0
211.73260498046875	316.0
211.86297607421875	132.0
212.0234832763672	144.0
212.0611572265625	152.0
212.52085876464844	260.0
212.72821044921875	152.0
212.84442138671875	244.0
212.9344482421875	156.0
213.1842803955078	156.0
213.45236206054688	164.0
213.86190795898438	244.0
213.8881072998047	164.0
214.04122924804688	948.0
214.07443237304688	156.0
214.35699462890625	140.0
214.4240264892578	148.0
214.6980743408203	176.0
214.77703857421875	104.0
215.05213928222656	412.0
215.58261108398438	148.0
215.7579803466797	156.0
215.98899841308594	200.0
216.05482482910156	332.0
216.0855255126953	184.0
216.26744079589844	148.0
216.3050079345703	172.0
216.73135375976562	208.0
216.85711669921875	180.0
216.97164916992188	176.0
217.0440216064453	368.0
217.12539672851562	180.0
217.23391723632812	192.0
217.61122131347656	188.0
217.64479064941406	180.0
217.87094116210938	148.0
217.90158081054688	112.0
218.1736297607422	148.0
218.26229858398438	152.0
218.4468231201172	160.0
218.6060028076172	236.0
218.64425659179688	200.0
218.8650360107422	148.0
218.9058837890625	208.0
219.11598205566406	136.0
219.19493103027344	140.0
219.218505859375	176.0
219.28334045410156	152.0
219.3057098388672	308.0
219.33050537109375	140.0
219.62535095214844	180.0
219.85842895507812	464.0
219.94357299804688	156.0
220.08868408203125	160.0
220.1898956298828	152.0
221.04637145996094	148.0
221.11148071289062	176.0
221.43177795410156	184.0
221.6356201171875	164.0
221.8519744873047	176.0
222.2820281982422	188.0
222.68939208984375	200.0
222.95018005371094	332.0
223.15231323242188	208.0
223.2818603515625	120.0
223.33079528808594	208.0
223.47775268554688	124.0
223.66859436035156	152.0
223.75030517578125	176.0
223.89871215820312	124.0
223.94386291503906	208.0
224.28948974609375	152.0
224.82037353515625	140.0
224.9337921142578	188.0
225.0113983154297	160.0
225.10433959960938	128.0
225.23934936523438	208.0
225.4146270751953	176.0
225.76856994628906	120.0
225.87802124023438	148.0
225.955810546875	160.0
226.00582885742188	192.0
226.06651306152344	184.0
226.09805297851562	268.0
226.28933715820312	148.0
226.39280700683594	172.0
226.46170043945312	228.0
227.09872436523438	288.0
227.15109252929688	224.0
227.2165069580078	196.0
227.2754669189453	172.0
227.67333984375	140.0
227.83251953125	300.0
227.91064453125	156.0
228.02947998046875	204.0
228.05966186523438	1568.0
228.1489715576172	148.0
228.21107482910156	148.0
228.29840087890625	192.0
228.34060668945312	128.0
228.46383666992188	240.0
228.50143432617188	112.0
228.6219482421875	212.0
228.6808624267578	128.0
228.70977783203125	136.0
228.8036346435547	136.0
228.86874389648438	320.0
228.90928649902344	176.0
228.93087768554688	116.0
228.9964599609375	256.0
229.0213623046875	188.0
229.06430053710938	2100.0
229.10446166992188	264.0
229.13510131835938	224.0
229.1813201904297	164.0
229.2230224609375	128.0
229.25396728515625	188.0
229.29928588867188	104.0
229.37661743164062	140.0
229.45510864257812	208.0
229.48129272460938	404.0
229.51795959472656	196.0
229.54502868652344	316.0
229.56333923339844	252.0
229.6267547607422	348.0
229.67626953125	568.0
229.70018005371094	204.0
229.7345428466797	236.0
229.80697631835938	488.0
229.81495666503906	236.0
229.82838439941406	452.0
229.8378448486328	320.0
229.9126739501953	536.0
229.94644165039062	684.0
229.98048400878906	1016.0
230.0032958984375	516.0
230.0291748046875	1416.0
230.07598876953125	422716.0
230.17803955078125	244.0
230.23622131347656	120.0
230.2631072998047	156.0
230.28640747070312	240.0
230.35562133789062	1508.0
230.39462280273438	512.0
230.44818115234375	628.0
230.4894561767578	256.0
230.53663635253906	1464.0
230.5742950439453	12980.0
230.63629150390625	216.0
230.65573120117188	320.0
230.74879455566406	212.0
230.82737731933594	368.0
230.8839111328125	260.0
230.93357849121094	204.0
230.9628448486328	412.0
230.98968505859375	284.0
231.0778350830078	140512.0
231.15269470214844	164.0
231.191162109375	152.0
231.27879333496094	280.0
231.31683349609375	404.0
231.35562133789062	276.0
231.42593383789062	136.0
231.501953125	112.0
231.5751190185547	1064.0
231.61505126953125	244.0
231.64002990722656	172.0
231.73068237304688	136.0
231.76890563964844	324.0
231.81161499023438	180.0
231.87632751464844	232.0
231.91445922851562	352.0
231.95603942871094	364.0
232.02378845214844	296.0
232.07192993164062	245088.0
232.16969299316406	140.0
232.30029296875	128.0
232.35186767578125	384.0
232.404052734375	284.0
232.43283081054688	304.0
232.47093200683594	300.0
232.50439453125	344.0
232.5348358154297	608.0
232.57162475585938	1620.0
232.6276092529297	244.0
232.69473266601562	356.0
232.71034240722656	476.0
232.7530517578125	380.0
232.80551147460938	348.0
232.82933044433594	400.0
232.88568115234375	212.0
232.97634887695312	108.0
232.9837646484375	352.0
233.0208282470703	220.0
233.07406616210938	35708.0
233.157470703125	96.0
233.2192840576172	108.0
233.27899169921875	208.0
233.32748413085938	160.0
233.3827667236328	172.0
233.41722106933594	112.0
233.52154541015625	96.0
233.5758514404297	240.0
233.587646484375	264.0
233.69456481933594	184.0
233.74105834960938	124.0
233.81524658203125	100.0
233.88201904296875	120.0
234.0194854736328	300.0
234.0767822265625	468.0
234.19480895996094	112.0
234.32778930664062	124.0
234.4545440673828	248.0
234.55918884277344	144.0
234.58038330078125	160.0
234.68699645996094	192.0
234.73646545410156	172.0
234.7736053466797	140.0
234.82687377929688	164.0
234.8629913330078	276.0
234.90570068359375	236.0
234.974853515625	136.0
235.24554443359375	100.0
235.5780487060547	116.0
235.61483764648438	208.0
236.00726318359375	108.0
236.2208251953125	148.0
237.0466766357422	124.0
237.09205627441406	108.0
237.126220703125	96.0
238.6466522216797	152.0
239.3759002685547	152.0
239.5586700439453	140.0
240.11973571777344	108.0
240.76771545410156	188.0
240.87059020996094	212.0
241.3481903076172	152.0
242.0795135498047	116.0
242.31942749023438	180.0
242.81272888183594	128.0
242.97984313964844	160.0
243.5230712890625	156.0
243.7085723876953	184.0
243.9119415283203	128.0
244.2490997314453	124.0
244.38571166992188	136.0
245.21023559570312	184.0
245.34027099609375	156.0
245.4279022216797	112.0
246.33262634277344	140.0
248.16104125976562	96.0
248.77743530273438	116.0
249.27642822265625	100.0
249.42225646972656	180.0
249.64547729492188	220.0
250.3588104248047	116.0
251.1414337158203	180.0
252.3969268798828	144.0
255.17262268066406	156.0
255.40158081054688	160.0
255.74464416503906	132.0
256.6191711425781	104.0
257.30718994140625	144.0
258.2082824707031	152.0
258.745849609375	184.0
259.53082275390625	244.0
259.8387145996094	188.0
260.52252197265625	156.0
264.19110107421875	160.0
266.1064453125	212.0
267.2602844238281	144.0
267.8006591796875	168.0
268.13299560546875	148.0
269.18994140625	184.0
270.0985107421875	144.0
273.1677551269531	912.0
273.9810791015625	144.0
274.0400390625	168.0
274.1004333496094	132.0
274.1219787597656	284.0
274.1716613769531	164.0
274.40704345703125	172.0
274.4927673339844	140.0
274.5790100097656	280.0
274.717041015625	144.0
274.7776794433594	264.0
274.9894714355469	284.0
275.0356140136719	236.0
275.1330261230469	122996.0
275.2138977050781	204.0
275.2572326660156	104.0
275.380615234375	112.0
275.4458312988281	128.0
275.5352478027344	192.0
275.57159423828125	172.0
275.6756591796875	1000.0
275.7586975097656	184.0
275.8714904785156	156.0
276.0171813964844	176.0
276.135009765625	29140.0
276.302001953125	232.0
276.43377685546875	240.0
276.50982666015625	204.0
276.5979309082031	144.0
276.69989013671875	144.0
277.04486083984375	348.0
277.13031005859375	42860.0
277.3354797363281	172.0
277.45855712890625	100.0
277.490478515625	104.0
277.51019287109375	148.0
277.5422058105469	104.0
277.6926574707031	176.0
277.74200439453125	152.0
277.79864501953125	124.0
277.8650817871094	132.0
277.899658203125	200.0
277.9765319824219	132.0
278.0626220703125	240.0
278.1324157714844	4064.0
279.0357971191406	104.0
279.13238525390625	272.0
279.215087890625	280.0
279.8384094238281	152.0
280.0189514160156	116.0
280.07586669921875	152.0
280.18414306640625	148.0
280.21630859375	104.0
280.27740478515625	128.0
280.7990417480469	96.0
281.2529602050781	148.0
283.82342529296875	244.0
284.1001892089844	144.0
285.1506652832031	256.0
290.6980285644531	164.0
295.3539733886719	96.0
307.4098815917969	212.0
317.18743896484375	160.0
326.6080322265625	168.0
327.0496520996094	140.0
351.54620361328125	144.0
359.1095275878906	140.0
431.3348083496094	144.0
434.4695739746094	140.0
449.16790771484375	104.0
470.66766357421875	144.0
474.2344970703125	96.0
559.9404907226562	148.0
632.8276977539062	156.0
894.24169921875	160.0
944.5554809570312	164.0
1078.54638671875	104.0
1092.8292236328125	156.0
1137.483642578125	140.0
1163.6773681640625	184.0
1194.0931396484375	156.0
1217.8482666015625	208.0
1259.80078125	148.0
1265.92578125	192.0
1361.7938232421875	248.0
1374.308349609375	140.0
1396.4654541015625	156.0
1399.6207275390625	152.0
1400.6856689453125	208.0
1411.41748046875	140.0
1448.21044921875	220.0
1451.1962890625	208.0
1455.399658203125	176.0
1474.5888671875	176.0
1481.873779296875	144.0
1486.604736328125	176.0
1508.9962158203125	180.0
1518.730224609375	160.0
1536.029296875	204.0
1537.6444091796875	140.0
1541.0411376953125	172.0
1542.9559326171875	188.0
1549.6866455078125	188.0
1554.4383544921875	176.0
1555.4664306640625	160.0
1558.324951171875	152.0
1559.975341796875	156.0
1568.4215087890625	184.0
1571.923095703125	200.0
1608.3912353515625	152.0
1608.5908203125	164.0
1613.95947265625	140.0
1634.04296875	216.0
1636.81982421875	212.0
1644.67626953125	152.0
1665.570556640625	212.0
1665.6436767578125	188.0
1678.85302734375	164.0
1680.810791015625	140.0
1687.6719970703125	152.0
1690.3875732421875	240.0
1694.2193603515625	184.0
1707.977294921875	144.0
1714.2425537109375	144.0
1716.9051513671875	280.0
1722.32763671875	164.0
1723.236328125	152.0
1723.429443359375	212.0
1724.19482421875	148.0
1734.6485595703125	144.0
1736.821044921875	192.0
1743.7705078125	196.0
1750.059326171875	184.0
1757.0518798828125	140.0
1770.9615478515625	168.0
1771.941650390625	144.0
1776.317626953125	188.0
1795.9415283203125	160.0
1796.9031982421875	208.0
1817.59033203125	232.0
1820.697265625	152.0
1821.3172607421875	196.0
1822.8294677734375	224.0
1827.1146240234375	160.0
1829.0633544921875	180.0
1830.8343505859375	152.0
1831.0472412109375	172.0
1837.0648193359375	188.0
1838.4384765625	164.0
1842.6224365234375	184.0
1843.8870849609375	188.0
1844.8870849609375	172.0
1850.9993896484375	160.0
1860.3583984375	212.0
1862.5394287109375	148.0
1865.452392578125	144.0
1868.935546875	200.0
1874.5755615234375	140.0
1876.5494384765625	140.0
1879.076416015625	140.0
1891.858154296875	228.0
1893.321533203125	180.0
1897.194580078125	144.0
1898.6859130859375	180.0
1900.00439453125	212.0
1903.2156982421875	160.0
1904.95263671875	184.0
1908.2822265625	176.0
1919.9144287109375	188.0
1928.2255859375	152.0
1929.3968505859375	180.0
1934.882080078125	184.0
1939.9368896484375	156.0
1941.830810546875	156.0
1941.9273681640625	144.0
1943.129150390625	200.0
1947.9180908203125	160.0
1952.30810546875	148.0
1952.782958984375	180.0
1958.5303955078125	164.0
1959.12939453125	184.0
1963.324951171875	160.0
1964.7979736328125	156.0
1967.2159423828125	200.0
1968.7257080078125	148.0
1968.78759765625	156.0
1971.349365234375	188.0
1972.135986328125	180.0
1973.70068359375	152.0
1984.4052734375	144.0
1985.327392578125	180.0
1987.704833984375	144.0
1993.5833740234375	176.0
1994.3565673828125	144.0
1995.787841796875	144.0
1998.9810791015625	144.0
1999.9600830078125	152.0
2003.34375	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079133
PEPMASS=138.071152
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=18.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Chlorpheniramine [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2
INCHI=InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
INCHIAUX=SOYKEARSMXGVTM-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079133
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079133
SCANS=1068
45.26799011230469	148.0
45.8294677734375	208.0
45.87933349609375	220.0
46.22374725341797	152.0
46.52328109741211	160.0
46.8551139831543	200.0
47.98719787597656	224.0
48.042362213134766	248.0
48.16798400878906	148.0
48.206668853759766	212.0
48.61935043334961	144.0
48.73460388183594	236.0
48.77907943725586	184.0
48.92514419555664	144.0
49.54521179199219	144.0
49.81877136230469	180.0
50.9802131652832	148.0
51.470237731933594	140.0
51.520225524902344	160.0
51.78199005126953	144.0
51.840728759765625	268.0
52.04011154174805	148.0
52.304630279541016	144.0
52.360782623291016	148.0
52.516441345214844	152.0
52.89356231689453	148.0
52.92975616455078	204.0
53.05290985107422	140.0
53.12541961669922	164.0
54.19575881958008	112.0
54.69339370727539	180.0
54.74787139892578	148.0
56.108116149902344	144.0
56.41415786743164	164.0
56.52483367919922	240.0
57.622459411621094	140.0
57.74641418457031	144.0
57.89321517944336	152.0
58.7260627746582	208.0
58.92322540283203	176.0
58.98411178588867	244.0
59.27489471435547	144.0
59.46198654174805	152.0
59.474266052246094	168.0
60.12530517578125	156.0
60.8000602722168	160.0
61.35536193847656	152.0
61.586307525634766	144.0
62.47195816040039	192.0
62.66087341308594	156.0
63.16288375854492	168.0
63.25465774536133	184.0
63.798770904541016	152.0
63.91805648803711	180.0
64.04541778564453	144.0
64.16812133789062	216.0
64.55133056640625	160.0
64.60091400146484	164.0
65.04639434814453	152.0
65.10098266601562	144.0
65.49823760986328	168.0
65.58686065673828	172.0
65.77073669433594	216.0
65.82952880859375	164.0
67.39802551269531	144.0
67.42253875732422	168.0
67.48628997802734	164.0
68.18460845947266	208.0
68.22076416015625	192.0
69.33159637451172	180.0
69.6800537109375	176.0
69.7880859375	236.0
70.06103515625	200.0
70.07435607910156	140.0
70.09602355957031	144.0
70.20437622070312	144.0
70.34468841552734	120.0
70.45140075683594	232.0
71.06079864501953	144.0
71.23538970947266	180.0
71.35302734375	176.0
71.81948852539062	216.0
71.90080261230469	224.0
73.958740234375	144.0
74.1317138671875	152.0
74.15570831298828	196.0
74.26715850830078	204.0
74.44654083251953	176.0
74.76367950439453	208.0
74.91175079345703	192.0
74.93414306640625	148.0
75.0168685913086	152.0
75.03582763671875	152.0
75.06858825683594	220.0
75.39140319824219	180.0
75.48302459716797	156.0
75.58853912353516	140.0
75.82579040527344	160.0
75.95756530761719	192.0
76.62163543701172	144.0
77.00189971923828	204.0
77.45140075683594	168.0
77.50045013427734	160.0
77.63542938232422	148.0
77.69330596923828	192.0
78.10436248779297	140.0
78.3913345336914	160.0
78.61705780029297	160.0
78.685302734375	180.0
78.89436340332031	208.0
79.69188690185547	232.0
79.81986236572266	200.0
79.912353515625	260.0
80.62025451660156	164.0
81.00672149658203	192.0
82.38108825683594	144.0
82.60162353515625	192.0
82.66494750976562	148.0
83.15788269042969	168.0
83.18511199951172	192.0
83.21597290039062	184.0
83.91097259521484	184.0
84.08609008789062	148.0
84.22667694091797	164.0
84.5228500366211	144.0
84.5631103515625	224.0
84.59971618652344	176.0
85.08552551269531	224.0
85.39055633544922	164.0
85.95796203613281	196.0
86.17584228515625	196.0
86.2386703491211	184.0
86.32740783691406	152.0
86.36070251464844	152.0
87.5745620727539	176.0
88.20336151123047	152.0
88.44278717041016	144.0
89.007080078125	140.0
89.04276275634766	184.0
90.0390396118164	220.0
90.41336059570312	204.0
91.5733642578125	172.0
92.04988098144531	184.0
92.68710327148438	200.0
93.05728912353516	332.0
94.40611267089844	164.0
94.9444808959961	184.0
95.30165100097656	200.0
95.32496643066406	160.0
95.94195556640625	144.0
98.04121398925781	168.0
98.4416732788086	152.0
98.86273956298828	140.0
98.9979019165039	660.0
99.02904510498047	180.0
99.10035705566406	144.0
99.40968322753906	140.0
99.42357635498047	204.0
100.01385498046875	256.0
100.48614501953125	160.0
100.64781188964844	244.0
100.99754333496094	628.0
101.17964172363281	204.0
101.35388946533203	176.0
101.59247589111328	196.0
101.68678283691406	192.0
102.06645965576172	208.0
102.28172302246094	180.0
104.05528259277344	160.0
104.22319793701172	180.0
104.6930923461914	212.0
104.76641845703125	188.0
105.09669494628906	168.0
105.24365234375	284.0
105.30696105957031	160.0
106.06478118896484	980.0
106.1357650756836	176.0
106.19523620605469	196.0
107.40465545654297	140.0
107.88165283203125	172.0
108.09261322021484	208.0
108.30792236328125	208.0
109.27738952636719	164.0
109.36270904541016	184.0
109.68138885498047	144.0
109.9713134765625	224.0
110.76586151123047	192.0
110.8538589477539	144.0
111.25235748291016	168.0
111.31534576416016	172.0
111.55486297607422	204.0
111.77780151367188	164.0
112.00862884521484	1064.0
112.1063003540039	152.0
112.54082489013672	168.0
112.86410522460938	192.0
113.0142822265625	148.0
113.15184783935547	148.0
113.90254974365234	208.0
114.0052261352539	148.0
114.04478454589844	128.0
114.86468505859375	172.0
114.89549255371094	188.0
115.05680084228516	624.0
115.10157775878906	200.0
115.32803344726562	244.0
116.05802917480469	248.0
117.05772399902344	524.0
117.65011596679688	152.0
117.77536010742188	188.0
118.0657730102539	5224.0
118.16122436523438	120.0
118.20449829101562	120.0
119.0162582397461	140.0
119.0728988647461	2684.0
119.22261810302734	160.0
119.98662567138672	208.0
120.0745620727539	172.0
120.30731964111328	220.0
120.57598114013672	160.0
120.94098663330078	144.0
121.75682830810547	144.0
121.81173706054688	144.0
121.97958374023438	188.0
122.20745086669922	152.0
122.45620727539062	248.0
122.4870376586914	172.0
122.96328735351562	156.0
123.54884338378906	188.0
123.63420104980469	152.0
123.73031616210938	172.0
124.02493286132812	172.0
124.24002838134766	236.0
124.3487548828125	180.0
124.79969787597656	180.0
125.01578521728516	2932.0
125.38737487792969	256.0
125.53897094726562	212.0
126.01820373535156	356.0
126.60492706298828	244.0
126.62284851074219	140.0
126.86035919189453	184.0
127.01251983642578	1604.0
127.73837280273438	140.0
127.93865203857422	188.0
128.0174560546875	140.0
128.05014038085938	440.0
128.0675811767578	156.0
128.3157501220703	140.0
129.209228515625	228.0
129.41970825195312	168.0
129.46273803710938	156.0
129.63262939453125	144.0
129.96142578125	240.0
130.13845825195312	180.0
130.7012176513672	156.0
131.24197387695312	160.0
131.44497680664062	168.0
131.49478149414062	116.0
131.82859802246094	140.0
132.20364379882812	184.0
132.5517120361328	192.0
132.6021270751953	184.0
133.76895141601562	148.0
134.57122802734375	164.0
135.8603057861328	160.0
137.0410919189453	220.0
137.52174377441406	184.0
137.56251525878906	204.0
137.74208068847656	152.0
137.93991088867188	120.0
138.04891967773438	300.0
138.06996154785156	56876.0
138.13914489746094	156.0
138.20985412597656	144.0
138.2358856201172	316.0
138.28160095214844	140.0
138.38552856445312	148.0
138.41287231445312	148.0
138.571044921875	9908.0
138.60684204101562	152.0
138.9434051513672	116.0
138.96620178222656	136.0
139.01734924316406	260.0
139.0677947998047	18676.0
139.1094512939453	188.0
139.17127990722656	100.0
139.36489868164062	124.0
139.4845733642578	144.0
139.56967163085938	3320.0
139.8091583251953	244.0
139.85621643066406	172.0
139.9833526611328	256.0
140.059326171875	1936.0
140.48065185546875	200.0
140.75442504882812	176.0
140.81752014160156	168.0
140.8654327392578	160.0
140.9174041748047	180.0
141.06646728515625	528.0
141.27438354492188	224.0
141.84271240234375	164.0
142.06480407714844	440.0
143.07174682617188	340.0
143.21371459960938	152.0
143.37811279296875	196.0
143.81382751464844	104.0
143.8837890625	140.0
143.99124145507812	148.0
144.0772247314453	152.0
144.76608276367188	160.0
144.90020751953125	220.0
145.35336303710938	160.0
145.3893585205078	168.0
145.7447509765625	140.0
145.87631225585938	140.0
145.94906616210938	152.0
146.06690979003906	180.0
146.14474487304688	112.0
148.45797729492188	184.0
148.93365478515625	164.0
149.4352264404297	160.0
149.89462280273438	144.0
150.25791931152344	148.0
150.2896270751953	164.0
151.5292205810547	188.0
151.6272430419922	184.0
152.06134033203125	192.0
152.29949951171875	256.0
152.6829071044922	160.0
152.88955688476562	144.0
153.0537567138672	108.0
153.0791015625	160.0
153.24166870117188	168.0
154.04098510742188	168.0
154.0679931640625	180.0
154.5378875732422	240.0
155.07276916503906	168.0
155.36068725585938	148.0
155.9141082763672	184.0
156.8374786376953	208.0
157.84857177734375	140.0
159.136474609375	156.0
159.5836944580078	168.0
160.7801971435547	160.0
161.2600555419922	168.0
163.12814331054688	164.0
163.9375	152.0
163.99102783203125	184.0
164.04830932617188	160.0
164.32762145996094	160.0
165.05618286132812	376.0
165.18087768554688	208.0
165.6903076171875	208.0
166.06600952148438	6704.0
166.40841674804688	196.0
166.5070343017578	168.0
166.59744262695312	140.0
166.62158203125	180.0
166.64727783203125	160.0
166.72178649902344	184.0
166.81552124023438	164.0
166.84774780273438	284.0
166.88893127441406	192.0
166.92344665527344	108.0
166.982666015625	144.0
167.04466247558594	160.0
167.073974609375	94492.0
167.15475463867188	144.0
167.2432098388672	152.0
167.27305603027344	132.0
167.38186645507812	140.0
167.4122772216797	128.0
167.6077880859375	160.0
167.6815948486328	144.0
167.7028350830078	172.0
167.77430725097656	140.0
167.81320190429688	188.0
167.8312530517578	212.0
167.90086364746094	148.0
167.92408752441406	148.0
167.9627685546875	160.0
168.02391052246094	160.0
168.08056640625	33196.0
168.2947235107422	96.0
168.36119079589844	152.0
168.46536254882812	160.0
168.54539489746094	160.0
168.61048889160156	120.0
168.65447998046875	108.0
168.69094848632812	152.0
168.73545837402344	168.0
169.08436584472656	3552.0
169.21923828125	136.0
169.2745361328125	264.0
169.4569854736328	176.0
169.4851837158203	116.0
169.53990173339844	236.0
170.08749389648438	324.0
170.20237731933594	104.0
170.30104064941406	116.0
170.6976776123047	140.0
173.15858459472656	176.0
174.34176635742188	148.0
175.02545166015625	164.0
175.18069458007812	184.0
175.34181213378906	140.0
175.850830078125	160.0
176.08316040039062	144.0
177.1146697998047	148.0
177.80401611328125	156.0
178.06419372558594	168.0
179.45591735839844	140.0
179.60525512695312	180.0
180.0786895751953	500.0
181.08106994628906	288.0
181.39797973632812	136.0
181.55230712890625	172.0
182.0631103515625	140.0
182.2072296142578	220.0
184.07249450683594	288.0
188.0274200439453	276.0
190.0294189453125	140.0
190.60052490234375	180.0
192.20306396484375	160.0
192.34104919433594	164.0
193.0936737060547	252.0
193.52978515625	152.0
193.69317626953125	164.0
197.57652282714844	164.0
197.7528076171875	172.0
197.94598388671875	140.0
198.57652282714844	176.0
199.73934936523438	156.0
200.60946655273438	164.0
201.03237915039062	772.0
201.63345336914062	104.0
201.73841857910156	164.0
201.7992401123047	200.0
201.86868286132812	180.0
201.9199981689453	168.0
201.97486877441406	176.0
202.0044403076172	140.0
202.0425262451172	45420.0
202.35610961914062	196.0
202.4284210205078	120.0
202.49978637695312	148.0
202.53219604492188	156.0
202.66407775878906	176.0
202.74305725097656	124.0
202.82278442382812	148.0
202.87188720703125	172.0
202.92877197265625	164.0
203.00613403320312	268.0
203.0510711669922	89024.0
203.12252807617188	112.0
203.16473388671875	124.0
203.19500732421875	112.0
203.23275756835938	156.0
203.46517944335938	160.0
203.517578125	508.0
203.54505920410156	136.0
203.74314880371094	188.0
203.8151092529297	104.0
203.93826293945312	244.0
204.0449676513672	10236.0
204.10101318359375	192.0
204.14390563964844	96.0
204.38059997558594	132.0
204.45155334472656	116.0
204.5372314453125	140.0
204.62989807128906	104.0
204.69827270507812	264.0
204.87078857421875	144.0
204.9039764404297	108.0
205.0474395751953	36224.0
205.11451721191406	132.0
205.4295196533203	112.0
205.48037719726562	204.0
205.5361785888672	156.0
205.6626434326172	112.0
205.9627685546875	128.0
206.00816345214844	104.0
206.049560546875	4144.0
206.19554138183594	188.0
206.3860626220703	172.0
206.45855712890625	164.0
207.05470275878906	492.0
207.15890502929688	108.0
207.66712951660156	184.0
207.9962158203125	108.0
209.10227966308594	116.0
211.60968017578125	112.0
212.1017303466797	172.0
216.0565185546875	176.0
217.06285095214844	272.0
218.05397033691406	604.0
219.05645751953125	144.0
230.07269287109375	428.0
231.07696533203125	144.0
232.0685577392578	176.0
277.1304626464844	156.0
347.87847900390625	100.0
380.5721740722656	156.0
458.9749755859375	144.0
752.3917236328125	148.0
1258.69189453125	188.0
1325.3255615234375	216.0
1400.61865234375	148.0
1417.15087890625	224.0
1426.780029296875	192.0
1436.283203125	224.0
1456.212158203125	192.0
1470.3349609375	164.0
1479.3924560546875	172.0
1513.1043701171875	236.0
1525.322509765625	212.0
1546.053466796875	188.0
1561.642333984375	144.0
1577.965576171875	288.0
1599.2091064453125	144.0
1607.960205078125	200.0
1613.048095703125	212.0
1624.5472412109375	168.0
1666.894775390625	140.0
1677.3447265625	156.0
1703.8917236328125	148.0
1720.5687255859375	204.0
1722.1046142578125	188.0
1725.3603515625	216.0
1733.314208984375	172.0
1745.599365234375	160.0
1766.6925048828125	168.0
1774.9002685546875	192.0
1777.2489013671875	160.0
1778.314697265625	172.0
1783.1270751953125	232.0
1786.566162109375	192.0
1796.8863525390625	184.0
1798.6331787109375	176.0
1800.566650390625	140.0
1800.7354736328125	160.0
1803.084228515625	168.0
1804.521240234375	164.0
1812.19775390625	156.0
1817.1661376953125	160.0
1823.662353515625	144.0
1831.66064453125	176.0
1832.22265625	184.0
1843.186279296875	276.0
1851.4412841796875	152.0
1851.8695068359375	192.0
1868.513916015625	140.0
1872.30126953125	172.0
1878.8089599609375	148.0
1882.9608154296875	168.0
1884.7403564453125	192.0
1899.4578857421875	192.0
1905.1448974609375	152.0
1916.1524658203125	164.0
1916.7935791015625	184.0
1923.2646484375	156.0
1924.4605712890625	216.0
1925.045654296875	172.0
1929.6328125	144.0
1939.16552734375	144.0
1941.07666015625	180.0
1947.2108154296875	144.0
1948.0101318359375	164.0
1955.3255615234375	220.0
1959.252685546875	172.0
1961.9317626953125	156.0
1977.47802734375	164.0
1980.7984619140625	188.0
1990.4031982421875	188.0
1993.0946044921875	216.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079134
PEPMASS=296.108002
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="1-methyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1C(=O)CN=C(c2ccccc2)c3cc(ccc13)[N+](=O)[O-]
INCHI=InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
INCHIAUX=GWUSZQUVEVMBPI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079134
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079134
SCANS=1341
44.90705871582031	144.0
45.01515579223633	244.0
45.1742057800293	180.0
45.19427490234375	144.0
45.22639083862305	204.0
45.608665466308594	140.0
45.62479782104492	160.0
46.17837142944336	148.0
46.46347427368164	156.0
46.73656463623047	160.0
47.27042770385742	148.0
47.3571662902832	140.0
47.38236999511719	144.0
47.654022216796875	216.0
47.91207504272461	220.0
47.937477111816406	172.0
48.38499450683594	152.0
48.58039855957031	208.0
49.30164337158203	168.0
49.85519790649414	232.0
49.92549133300781	160.0
50.351097106933594	176.0
51.431583404541016	144.0
51.71316146850586	232.0
52.11181640625	148.0
52.25990676879883	160.0
52.45576858520508	164.0
52.85437774658203	168.0
52.990482330322266	172.0
53.208030700683594	200.0
53.479862213134766	156.0
54.91724395751953	236.0
55.149051666259766	184.0
55.40504837036133	152.0
55.55263900756836	244.0
55.92329025268555	196.0
56.160499572753906	176.0
56.19152069091797	140.0
56.35127258300781	192.0
56.93696594238281	164.0
57.058677673339844	260.0
57.09626770019531	172.0
57.694881439208984	140.0
57.72965621948242	160.0
58.125022888183594	156.0
58.658851623535156	148.0
59.277835845947266	196.0
60.2491569519043	192.0
60.49768829345703	224.0
61.318668365478516	128.0
61.971012115478516	208.0
62.024295806884766	200.0
62.243934631347656	152.0
63.08526611328125	144.0
63.14377212524414	164.0
63.3748893737793	176.0
64.06918334960938	176.0
64.15364074707031	184.0
64.188720703125	168.0
64.29240417480469	144.0
65.40953826904297	204.0
65.47877502441406	152.0
65.5528793334961	144.0
65.80288696289062	188.0
65.99030303955078	224.0
66.15856170654297	176.0
66.21037292480469	212.0
66.94603729248047	152.0
67.1318130493164	168.0
67.86272430419922	140.0
67.9693374633789	184.0
68.47237396240234	168.0
68.6602554321289	144.0
68.926025390625	144.0
69.27180480957031	160.0
69.42926788330078	172.0
70.05088806152344	148.0
70.41450500488281	224.0
70.61338806152344	152.0
71.25372314453125	152.0
71.31533813476562	108.0
71.75188446044922	224.0
71.98810577392578	140.0
72.828125	152.0
73.06100463867188	180.0
73.49205017089844	144.0
73.76871490478516	176.0
74.20183563232422	180.0
74.34137725830078	148.0
74.37686157226562	136.0
74.42144775390625	180.0
74.70845794677734	228.0
75.95220184326172	140.0
76.32733154296875	152.0
76.63192749023438	224.0
76.93538665771484	156.0
77.38294219970703	208.0
77.54235076904297	156.0
78.54808044433594	200.0
78.66278076171875	172.0
79.09054565429688	188.0
79.30841064453125	216.0
79.3332290649414	156.0
79.45811462402344	136.0
79.68461608886719	196.0
79.77525329589844	160.0
80.09911346435547	148.0
80.27733612060547	176.0
80.41471099853516	156.0
80.7255630493164	216.0
80.81141662597656	212.0
81.01371765136719	204.0
81.3939437866211	188.0
81.97315979003906	212.0
82.08672332763672	188.0
82.44957733154297	156.0
82.50560760498047	140.0
82.52188110351562	224.0
82.5417709350586	168.0
82.73979187011719	204.0
82.81503295898438	172.0
82.91830444335938	252.0
83.0633544921875	196.0
83.76319122314453	180.0
83.82878112792969	148.0
84.55561065673828	184.0
84.64714050292969	188.0
84.8963623046875	168.0
86.47708129882812	212.0
87.43660736083984	160.0
87.73090362548828	172.0
87.94541931152344	156.0
88.52872467041016	160.0
89.02942657470703	164.0
89.30757904052734	144.0
89.73729705810547	268.0
90.03837585449219	160.0
90.22024536132812	144.0
90.28263854980469	184.0
90.68589782714844	188.0
91.05421447753906	556.0
91.14134979248047	196.0
91.4532241821289	144.0
91.46845245361328	188.0
91.48748779296875	196.0
91.73526000976562	124.0
91.86671447753906	156.0
91.9754867553711	168.0
92.05948638916016	232.0
92.50114440917969	152.0
92.88246154785156	208.0
92.95153045654297	148.0
92.98223114013672	144.0
94.03691864013672	144.0
94.05236053466797	172.0
94.39817810058594	148.0
94.47747802734375	236.0
94.62843322753906	148.0
94.74657440185547	140.0
94.81245422363281	148.0
95.4819564819336	168.0
95.84820556640625	172.0
97.60990905761719	164.0
97.97993469238281	176.0
98.00751495361328	140.0
98.18492889404297	248.0
98.39408874511719	208.0
98.69439697265625	144.0
98.86451721191406	176.0
98.96150970458984	140.0
99.30390167236328	204.0
100.93133544921875	188.0
101.70864868164062	160.0
102.26338958740234	152.0
103.22844696044922	256.0
103.31468963623047	140.0
103.41788482666016	188.0
103.94361114501953	232.0
103.98741912841797	208.0
104.05036926269531	148.0
104.1925048828125	160.0
104.24533081054688	168.0
104.55036926269531	236.0
104.76212310791016	176.0
104.82936096191406	160.0
104.86011505126953	128.0
105.03428649902344	660.0
106.03509521484375	176.0
106.1006851196289	148.0
106.27501678466797	152.0
106.57889556884766	240.0
106.61588287353516	144.0
106.7227783203125	208.0
106.75567626953125	156.0
107.07466125488281	188.0
107.31163024902344	168.0
107.6541519165039	200.0
107.7594985961914	220.0
107.95379638671875	192.0
108.77009582519531	144.0
109.10662078857422	172.0
109.24021911621094	148.0
109.63739013671875	148.0
109.87092590332031	176.0
110.11723327636719	164.0
110.19568634033203	144.0
110.84609985351562	236.0
111.82176208496094	160.0
112.00704193115234	148.0
112.5638198852539	184.0
112.68421173095703	200.0
112.9548110961914	172.0
113.09869384765625	144.0
114.61457061767578	232.0
114.7812728881836	188.0
114.89266967773438	156.0
115.25940704345703	176.0
115.5138168334961	152.0
115.68286895751953	192.0
116.03205871582031	236.0
116.04706573486328	144.0
116.12212371826172	144.0
116.15858459472656	140.0
116.29590606689453	168.0
116.42472839355469	180.0
116.4891586303711	224.0
116.71912384033203	144.0
116.79224395751953	180.0
117.00022888183594	208.0
117.05519104003906	132.0
117.17110443115234	248.0
117.40275573730469	264.0
117.54195404052734	148.0
118.0673599243164	776.0
118.12312316894531	140.0
118.68403625488281	144.0
118.72306823730469	216.0
118.74909210205078	152.0
118.927001953125	176.0
119.07258605957031	932.0
119.49417114257812	188.0
119.5572738647461	160.0
119.79460144042969	172.0
120.04122161865234	160.0
120.07698822021484	180.0
120.49488067626953	204.0
120.59758758544922	176.0
121.07100677490234	244.0
121.09204864501953	164.0
121.65118408203125	180.0
121.96089935302734	180.0
122.0592041015625	136.0
122.18299865722656	172.0
122.43612670898438	156.0
122.57711029052734	172.0
123.06929016113281	240.0
123.4203109741211	200.0
123.9914321899414	172.0
124.09783172607422	236.0
124.45282745361328	160.0
124.63776397705078	200.0
125.0715560913086	188.0
125.09978485107422	184.0
125.12872314453125	176.0
125.49539947509766	132.0
125.76627349853516	152.0
126.4569091796875	148.0
127.09449005126953	156.0
127.29759979248047	144.0
128.64329528808594	220.0
129.0562286376953	228.0
129.0853729248047	112.0
129.1478729248047	172.0
129.2157440185547	164.0
129.29946899414062	148.0
129.7071533203125	184.0
129.82278442382812	168.0
129.90670776367188	240.0
129.93719482421875	200.0
130.06288146972656	164.0
130.88168334960938	164.0
131.0589599609375	328.0
131.2439727783203	168.0
132.04368591308594	500.0
132.06488037109375	292.0
132.40711975097656	208.0
132.6018524169922	148.0
132.95962524414062	204.0
133.05303955078125	308.0
133.38223266601562	156.0
133.75486755371094	144.0
134.12109375	140.0
134.29544067382812	200.0
134.43707275390625	204.0
135.06727600097656	276.0
135.17767333984375	120.0
135.45204162597656	176.0
135.62814331054688	248.0
136.03639221191406	148.0
136.18267822265625	144.0
136.24307250976562	204.0
136.42201232910156	164.0
136.71507263183594	164.0
136.77230834960938	472.0
136.90829467773438	160.0
137.142333984375	168.0
137.49810791015625	208.0
137.6101531982422	140.0
137.6825408935547	188.0
137.95648193359375	148.0
138.4777069091797	176.0
138.52455139160156	156.0
139.12957763671875	176.0
139.24227905273438	180.0
139.27516174316406	168.0
139.68887329101562	176.0
140.06077575683594	204.0
140.3352813720703	192.0
140.3718719482422	144.0
140.73524475097656	156.0
140.94546508789062	216.0
141.06512451171875	120.0
141.3237762451172	140.0
141.7239227294922	140.0
141.8850860595703	184.0
142.05345153808594	228.0
142.08164978027344	136.0
142.2409210205078	152.0
142.87539672851562	160.0
142.9110870361328	176.0
142.95867919921875	188.0
143.06019592285156	1372.0
143.8023223876953	176.0
143.859619140625	156.0
144.04586791992188	188.0
144.06765747070312	1160.0
144.10081481933594	164.0
144.3565673828125	236.0
144.6676025390625	176.0
144.8328399658203	148.0
144.95741271972656	160.0
145.050537109375	140.0
145.0748291015625	276.0
145.31947326660156	180.0
145.44906616210938	208.0
145.69639587402344	152.0
146.06390380859375	324.0
146.63241577148438	196.0
147.02552795410156	160.0
147.0677032470703	1180.0
147.62289428710938	140.0
147.9004364013672	152.0
148.0443115234375	204.0
148.06846618652344	296.0
148.62745666503906	152.0
148.9576416015625	188.0
149.55093383789062	168.0
149.95278930664062	180.0
150.02117919921875	280.0
150.04542541503906	152.0
150.28688049316406	180.0
150.73831176757812	132.0
151.0628204345703	912.0
151.63182067871094	192.0
152.0619659423828	1324.0
152.1139678955078	116.0
152.36170959472656	168.0
152.719482421875	168.0
152.79820251464844	148.0
153.06642150878906	460.0
153.6678924560547	156.0
153.8529815673828	156.0
154.332275390625	144.0
154.76316833496094	164.0
154.91635131835938	172.0
155.07008361816406	196.0
155.2801513671875	212.0
155.48414611816406	160.0
155.76470947265625	168.0
155.83676147460938	200.0
155.98089599609375	224.0
156.03309631347656	144.0
156.05267333984375	224.0
156.42864990234375	208.0
156.95681762695312	196.0
157.04092407226562	276.0
157.58580017089844	196.0
157.63327026367188	216.0
157.7432403564453	224.0
157.99581909179688	196.0
158.0446014404297	168.0
158.0959014892578	184.0
158.2335662841797	164.0
158.44393920898438	176.0
158.5942840576172	140.0
158.68704223632812	212.0
158.97764587402344	208.0
159.05831909179688	240.0
159.3446044921875	204.0
159.477783203125	172.0
160.05270385742188	124.0
160.8202362060547	160.0
161.0479736328125	184.0
162.6566162109375	196.0
162.78594970703125	160.0
163.05276489257812	288.0
163.24729919433594	144.0
163.5729522705078	144.0
164.06227111816406	208.0
164.11048889160156	180.0
164.1920928955078	208.0
164.23681640625	164.0
164.5327606201172	160.0
165.06736755371094	4932.0
165.44667053222656	148.0
165.5618896484375	156.0
165.60543823242188	160.0
165.94882202148438	284.0
166.07452392578125	1004.0
166.21043395996094	152.0
166.33876037597656	144.0
166.5159149169922	152.0
167.07861328125	296.0
167.1817626953125	252.0
167.9263153076172	156.0
168.0559539794922	344.0
168.08163452148438	552.0
168.39862060546875	140.0
168.7423095703125	200.0
169.08108520507812	144.0
169.13291931152344	168.0
169.16139221191406	160.0
169.2287139892578	208.0
170.1594696044922	204.0
170.66351318359375	188.0
171.06683349609375	156.0
171.09617614746094	148.0
171.93992614746094	184.0
172.0182342529297	232.0
172.06219482421875	1024.0
172.2454071044922	176.0
172.52999877929688	176.0
172.88858032226562	152.0
173.0694580078125	628.0
174.07376098632812	144.0
174.62008666992188	176.0
174.75686645507812	276.0
175.04547119140625	336.0
175.07273864746094	212.0
175.41525268554688	284.0
175.70005798339844	144.0
176.05345153808594	292.0
176.45538330078125	168.0
176.61404418945312	220.0
176.90025329589844	196.0
177.06109619140625	136.0
177.47293090820312	160.0
178.03993225097656	196.0
178.069091796875	296.0
178.39862060546875	200.0
178.41722106933594	156.0
178.64859008789062	144.0
178.90672302246094	144.0
179.07212829589844	6000.0
179.353515625	176.0
179.38888549804688	204.0
179.99984741210938	312.0
180.07997131347656	2944.0
180.24293518066406	188.0
180.72300720214844	124.0
181.06578063964844	572.0
181.08737182617188	1612.0
181.69944763183594	168.0
181.9221954345703	164.0
182.06861877441406	656.0
182.09231567382812	376.0
182.46754455566406	144.0
183.0902557373047	404.0
183.1564483642578	220.0
183.52294921875	152.0
183.61732482910156	184.0
183.98699951171875	152.0
184.45578002929688	216.0
184.68687438964844	144.0
185.04678344726562	140.0
185.1821746826172	156.0
185.45582580566406	148.0
186.06887817382812	172.0
187.07290649414062	196.0
187.46966552734375	164.0
188.08058166503906	176.0
188.3536376953125	216.0
188.79092407226562	140.0
189.06495666503906	188.0
190.06350708007812	2668.0
191.04759216308594	500.0
191.0719451904297	1052.0
191.3427276611328	184.0
191.36476135253906	336.0
191.4941864013672	164.0
191.72836303710938	164.0
191.85118103027344	144.0
192.07958984375	4880.0
192.50425720214844	168.0
192.6609649658203	152.0
192.681884765625	284.0
192.84498596191406	128.0
193.03408813476562	156.0
193.08786010742188	9756.0
193.1444549560547	168.0
193.40672302246094	156.0
193.7837677001953	204.0
193.81744384765625	184.0
193.93661499023438	164.0
194.06649780273438	304.0
194.0956268310547	6872.0
194.274169921875	168.0
195.06434631347656	184.0
195.09584045410156	2304.0
195.388916015625	172.0
195.41116333007812	180.0
195.43666076660156	204.0
196.01815795898438	240.0
196.07522583007812	1768.0
196.09925842285156	632.0
196.44053649902344	112.0
196.53399658203125	260.0
196.91629028320312	152.0
197.08245849609375	496.0
197.10614013671875	624.0
197.27967834472656	252.0
197.29925537109375	152.0
198.08572387695312	264.0
198.1110076904297	292.0
198.31178283691406	144.0
198.66026306152344	176.0
198.6939239501953	192.0
198.87071228027344	152.0
199.12059020996094	140.0
199.46336364746094	196.0
199.94712829589844	216.0
200.0653533935547	160.0
200.34414672851562	160.0
200.7556610107422	228.0
201.0540008544922	868.0
201.125244140625	200.0
201.31723022460938	144.0
201.52342224121094	176.0
201.79193115234375	140.0
201.81736755371094	168.0
202.05746459960938	324.0
202.0860595703125	224.0
202.62399291992188	176.0
202.86204528808594	172.0
202.91307067871094	140.0
203.2364044189453	156.0
204.08155822753906	2740.0
204.27566528320312	192.0
204.9423828125	168.0
205.08213806152344	1208.0
205.13616943359375	212.0
205.2971649169922	120.0
205.43844604492188	184.0
205.621826171875	136.0
205.67529296875	180.0
205.96939086914062	140.0
206.08615112304688	2264.0
206.14366149902344	200.0
206.40379333496094	144.0
206.68124389648438	144.0
207.04493713378906	160.0
207.09226989746094	6068.0
207.1421661376953	156.0
207.53765869140625	148.0
208.0962371826172	1112.0
208.56826782226562	140.0
208.62001037597656	200.0
208.9334716796875	156.0
209.0847930908203	1148.0
209.10667419433594	2632.0
209.38250732421875	176.0
209.62159729003906	236.0
210.05914306640625	184.0
210.09141540527344	2576.0
210.1608123779297	172.0
210.77857971191406	176.0
211.09393310546875	836.0
211.1211700439453	136.0
211.72463989257812	232.0
211.75071716308594	184.0
212.3158416748047	196.0
213.50071716308594	192.0
214.063232421875	184.0
214.45272827148438	148.0
214.59848022460938	156.0
215.50619506835938	212.0
215.6873779296875	140.0
216.0558319091797	172.0
216.2577362060547	224.0
216.28407287597656	212.0
216.3074951171875	140.0
216.34555053710938	156.0
216.6383819580078	188.0
216.82591247558594	208.0
217.0545654296875	148.0
218.04385375976562	216.0
218.81747436523438	156.0
219.00299072265625	160.0
219.09213256835938	288.0
219.19741821289062	140.0
219.39195251464844	212.0
219.6868438720703	160.0
219.8668212890625	176.0
219.9435577392578	172.0
220.0755157470703	612.0
220.09925842285156	872.0
220.5270538330078	124.0
220.75306701660156	144.0
220.90882873535156	168.0
220.95123291015625	172.0
221.10801696777344	37544.0
221.17945861816406	132.0
221.246337890625	112.0
221.330078125	248.0
221.45445251464844	188.0
221.66775512695312	216.0
222.04811096191406	132.0
222.0779266357422	1540.0
222.11441040039062	15544.0
222.17144775390625	140.0
222.29344177246094	240.0
222.314208984375	140.0
222.38543701171875	144.0
222.43209838867188	100.0
222.88426208496094	184.0
223.086181640625	996.0
223.11767578125	1544.0
223.1637420654297	160.0
223.27699279785156	140.0
223.5304412841797	140.0
223.56092834472656	132.0
223.70616149902344	148.0
223.76910400390625	136.0
224.06851196289062	152.0
224.09231567382812	284.0
224.1223602294922	220.0
224.3788604736328	240.0
224.509765625	108.0
224.5580291748047	200.0
224.71546936035156	144.0
224.7661895751953	140.0
224.9145050048828	144.0
225.07847595214844	2768.0
225.10215759277344	2876.0
225.5665740966797	148.0
225.60244750976562	148.0
225.75985717773438	136.0
226.08746337890625	720.0
226.10641479492188	668.0
227.08831787109375	352.0
227.16270446777344	140.0
227.44468688964844	192.0
227.50634765625	228.0
227.64425659179688	160.0
228.0684051513672	196.0
228.6468963623047	152.0
228.71897888183594	152.0
229.1239013671875	96.0
229.97903442382812	216.0
230.8007354736328	192.0
230.90658569335938	172.0
231.06085205078125	160.0
231.09742736816406	160.0
231.18490600585938	156.0
232.23011779785156	156.0
232.3729705810547	168.0
233.09112548828125	300.0
234.09568786621094	148.0
234.4951934814453	164.0
234.94952392578125	148.0
234.97698974609375	172.0
235.0894012451172	352.0
235.67616271972656	180.0
236.0921630859375	424.0
236.1488800048828	200.0
236.2876434326172	164.0
236.6181640625	172.0
236.7510223388672	152.0
237.01634216308594	184.0
237.06884765625	548.0
237.1023406982422	964.0
237.48843383789062	200.0
237.5129852294922	284.0
238.0742645263672	420.0
238.1090850830078	1036.0
238.6907501220703	184.0
239.08152770996094	2984.0
239.43699645996094	152.0
239.66856384277344	160.0
240.08578491210938	536.0
240.22604370117188	144.0
240.4281463623047	120.0
240.56857299804688	224.0
240.88046264648438	180.0
241.09457397460938	288.0
241.12847900390625	168.0
241.5203094482422	164.0
241.85755920410156	172.0
241.9628143310547	164.0
242.0966339111328	184.0
242.13931274414062	188.0
242.3375701904297	148.0
242.39230346679688	152.0
243.5194549560547	212.0
243.7275848388672	224.0
243.76487731933594	256.0
243.87001037597656	164.0
243.92027282714844	152.0
244.56724548339844	160.0
244.98532104492188	184.0
245.0343475341797	168.0
245.6033172607422	104.0
246.444580078125	224.0
248.17543029785156	148.0
249.1020965576172	6104.0
249.42196655273438	108.0
249.5474853515625	180.0
249.58961486816406	272.0
249.64712524414062	116.0
249.93572998046875	164.0
250.00856018066406	192.0
250.0657501220703	232.0
250.11012268066406	45656.0
250.17564392089844	152.0
250.2292022705078	224.0
250.4579620361328	116.0
250.5482940673828	152.0
250.57533264160156	172.0
250.7487030029297	100.0
250.81930541992188	252.0
250.8571319580078	140.0
251.00648498535156	168.0
251.11314392089844	6424.0
251.20188903808594	144.0
251.35227966308594	168.0
251.7279052734375	208.0
251.96795654296875	168.0
252.07904052734375	2016.0
252.1094970703125	1028.0
252.24490356445312	132.0
252.44207763671875	144.0
252.9776611328125	200.0
253.09559631347656	2568.0
253.74566650390625	136.0
253.9431915283203	140.0
254.1049041748047	9792.0
254.27493286132812	136.0
254.41281127929688	196.0
254.53054809570312	96.0
255.10765075683594	2432.0
255.39907836914062	236.0
255.537841796875	216.0
256.10821533203125	312.0
256.6002197265625	120.0
256.86309814453125	164.0
257.24871826171875	128.0
257.8432922363281	168.0
257.9815673828125	156.0
258.79974365234375	144.0
259.6938171386719	140.0
259.7226867675781	140.0
259.8766784667969	168.0
260.0624694824219	152.0
260.44085693359375	220.0
260.5509033203125	156.0
260.62158203125	144.0
260.7726135253906	176.0
261.5284423828125	160.0
262.4046325683594	164.0
262.5780944824219	132.0
263.8865661621094	196.0
263.922119140625	180.0
265.0979919433594	1396.0
265.2040710449219	180.0
265.8851623535156	164.0
266.1023864746094	1580.0
266.5813903808594	204.0
267.047119140625	160.0
267.10491943359375	324.0
267.7056579589844	144.0
267.88153076171875	176.0
267.9923095703125	148.0
268.1080627441406	7572.0
268.2058410644531	124.0
268.4649353027344	156.0
268.4942932128906	160.0
268.6560363769531	184.0
269.1106262207031	1728.0
269.262451171875	140.0
270.110107421875	256.0
270.6772155761719	152.0
270.7328796386719	172.0
271.07684326171875	156.0
271.1227111816406	180.0
271.46038818359375	176.0
271.9130859375	144.0
271.94769287109375	156.0
273.2636413574219	200.0
273.5631103515625	140.0
273.85552978515625	164.0
274.5977478027344	188.0
274.795654296875	164.0
274.8715515136719	152.0
274.9738464355469	180.0
275.2884216308594	192.0
275.33038330078125	200.0
275.6739501953125	180.0
277.00067138671875	192.0
277.85595703125	188.0
278.1048278808594	152.0
278.2220153808594	144.0
278.4401550292969	180.0
278.5663757324219	180.0
279.0933532714844	260.0
279.2344665527344	248.0
279.9732666015625	140.0
280.0931701660156	152.0
280.516357421875	148.0
281.0805969238281	112.0
281.2152404785156	120.0
281.4801330566406	208.0
281.542724609375	136.0
281.6259765625	148.0
281.7945251464844	200.0
281.9787292480469	96.0
282.00799560546875	168.0
282.0475769042969	204.0
282.1003112792969	101680.0
282.19500732421875	136.0
282.3023376464844	348.0
282.4026184082031	180.0
282.4290466308594	168.0
282.6010437011719	100.0
282.7648620605469	96.0
282.8531799316406	256.0
282.9417419433594	104.0
282.9868469238281	244.0
283.0225524902344	152.0
283.10333251953125	14304.0
283.1725769042969	300.0
283.1981201171875	156.0
283.3015441894531	136.0
284.01226806640625	172.0
284.10498046875	3232.0
284.1730651855469	228.0
284.2337951660156	152.0
284.3502197265625	168.0
284.5931091308594	112.0
284.7686462402344	104.0
284.8169860839844	232.0
284.84747314453125	164.0
284.9088134765625	112.0
285.048583984375	116.0
285.10601806640625	180.0
285.185791015625	116.0
285.2314147949219	124.0
285.3087158203125	148.0
286.1158752441406	96.0
286.33642578125	228.0
286.98004150390625	164.0
287.5198974609375	108.0
287.79656982421875	192.0
288.3046569824219	144.0
289.2299499511719	196.0
289.5549621582031	148.0
290.2191467285156	152.0
290.76190185546875	200.0
291.587158203125	224.0
291.9781494140625	180.0
292.3591613769531	164.0
292.5185852050781	108.0
292.5856018066406	144.0
293.60528564453125	96.0
293.960693359375	136.0
294.14508056640625	168.0
294.1758117675781	140.0
294.25128173828125	112.0
294.4850769042969	112.0
294.5336608886719	200.0
294.59796142578125	180.0
294.6484069824219	148.0
294.7148742675781	244.0
294.8354187011719	100.0
294.89959716796875	196.0
294.9512023925781	140.0
294.9961853027344	204.0
295.0574645996094	148.0
295.0861511230469	252.0
295.1805419921875	140.0
295.21771240234375	320.0
295.24273681640625	164.0
295.302001953125	108.0
295.3457336425781	116.0
295.4008483886719	132.0
295.43206787109375	128.0
295.4706115722656	256.0
295.5025634765625	296.0
295.5360107421875	176.0
295.56756591796875	196.0
295.61199951171875	268.0
295.6673889160156	152.0
295.70318603515625	228.0
295.7386169433594	116.0
295.7707824707031	228.0
295.8033752441406	132.0
295.8611755371094	224.0
295.9203796386719	300.0
295.92950439453125	124.0
295.9539489746094	376.0
296.05426025390625	1004.0
296.1054992675781	211844.0
296.2157897949219	176.0
296.3673400878906	192.0
296.43499755859375	396.0
296.5064697265625	396.0
296.5644836425781	176.0
296.62799072265625	320.0
296.6685791015625	9136.0
296.7033996582031	436.0
296.7408142089844	172.0
296.79132080078125	144.0
296.83966064453125	196.0
296.9430236816406	680.0
296.9725036621094	384.0
297.048583984375	164.0
297.1069030761719	91696.0
297.2259521484375	212.0
297.2640075683594	244.0
297.4155578613281	100.0
297.44171142578125	172.0
297.4643859863281	284.0
297.4941711425781	308.0
297.5182800292969	212.0
297.54278564453125	236.0
297.587158203125	208.0
297.6736145019531	104.0
297.7425842285156	176.0
297.8305358886719	148.0
297.9176025390625	120.0
298.0689697265625	144.0
298.1092529296875	8544.0
298.23663330078125	172.0
298.2923278808594	156.0
298.3203430175781	108.0
298.395751953125	144.0
298.5634765625	104.0
298.6231994628906	164.0
298.6978454589844	160.0
298.7300109863281	260.0
298.77960205078125	144.0
298.8275146484375	156.0
298.8561706542969	196.0
298.90948486328125	300.0
299.0180969238281	360.0
299.11077880859375	540.0
299.20404052734375	312.0
299.2393798828125	372.0
299.2737731933594	312.0
299.3099060058594	232.0
299.3888244628906	288.0
299.5717468261719	108.0
299.6263732910156	116.0
299.6941833496094	132.0
299.75201416015625	120.0
299.79974365234375	144.0
299.93597412109375	100.0
300.03326416015625	136.0
300.14569091796875	160.0
300.2696838378906	212.0
300.32904052734375	128.0
300.42742919921875	140.0
300.7057800292969	108.0
300.79962158203125	120.0
301.187744140625	172.0
301.21710205078125	104.0
301.2523498535156	96.0
305.5991516113281	100.0
311.08575439453125	100.0
318.567138671875	140.0
328.05755615234375	172.0
335.8319091796875	140.0
374.311279296875	140.0
389.56964111328125	152.0
430.78021240234375	140.0
439.5821533203125	148.0
471.8159484863281	160.0
478.57977294921875	140.0
532.55712890625	168.0
669.4398193359375	148.0
742.5630493164062	148.0
752.5485229492188	140.0
756.763916015625	156.0
925.3292846679688	148.0
1005.3612060546875	152.0
1123.535400390625	164.0
1161.598388671875	144.0
1264.6700439453125	152.0
1311.404541015625	148.0
1396.2393798828125	228.0
1534.2247314453125	208.0
1575.085693359375	188.0
1592.6065673828125	168.0
1626.774658203125	180.0
1629.8104248046875	168.0
1631.6268310546875	144.0
1663.5289306640625	232.0
1672.1610107421875	140.0
1673.357666015625	160.0
1714.1318359375	200.0
1769.8525390625	212.0
1785.107421875	228.0
1785.4521484375	148.0
1799.406005859375	160.0
1831.648193359375	184.0
1842.644287109375	204.0
1860.9124755859375	152.0
1871.4449462890625	168.0
1871.9271240234375	160.0
1878.968994140625	172.0
1883.129638671875	164.0
1887.7705078125	148.0
1891.1617431640625	144.0
1944.204345703125	164.0
1949.429443359375	172.0
1956.7386474609375	168.0
1966.585205078125	176.0
1994.165771484375	140.0
1997.1710205078125	220.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079135
PEPMASS=422.26236
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_E2_F11_BD6_01_15730.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCN(CC)CC1CCCCN1CC(=O)N2c3ccccc3C(=O)Nc4cccnc24
INCHI=InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
INCHIAUX=UBRKDAVQCKZSPO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079135
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079135
SCANS=1045
45.15425109863281	168.0
45.38860321044922	152.0
45.603294372558594	156.0
45.63566207885742	148.0
45.82274627685547	160.0
46.219703674316406	172.0
46.86058044433594	284.0
47.1102409362793	212.0
47.88435745239258	212.0
48.29931640625	176.0
48.72211837768555	164.0
48.90706253051758	168.0
49.08957290649414	176.0
49.39124298095703	160.0
49.6082878112793	144.0
51.27054214477539	140.0
52.048744201660156	176.0
52.05879592895508	156.0
52.23845291137695	184.0
52.92108917236328	180.0
53.18347930908203	144.0
53.60232162475586	200.0
55.70930099487305	144.0
56.31256866455078	148.0
56.784019470214844	208.0
56.851531982421875	180.0
56.97624206542969	140.0
57.016727447509766	220.0
57.17914962768555	188.0
57.2393684387207	164.0
57.560550689697266	156.0
58.64374923706055	152.0
59.31016540527344	152.0
60.267391204833984	176.0
60.306026458740234	176.0
60.78456497192383	156.0
61.35226058959961	172.0
61.48796463012695	172.0
62.75861358642578	232.0
63.038002014160156	188.0
63.6065788269043	164.0
64.51937866210938	168.0
64.83309936523438	164.0
65.6739501953125	244.0
66.15709686279297	224.0
66.23320770263672	152.0
66.27857208251953	168.0
66.82249450683594	208.0
67.80387878417969	180.0
67.8511962890625	216.0
68.58787536621094	156.0
69.18254852294922	140.0
69.7332534790039	196.0
70.71896362304688	164.0
71.8515625	192.0
72.84188842773438	228.0
73.04756927490234	168.0
75.05826568603516	160.0
75.26532745361328	168.0
75.90036010742188	176.0
76.00269317626953	188.0
76.19367980957031	196.0
76.29621887207031	168.0
76.82213592529297	148.0
77.73719787597656	212.0
78.07624816894531	140.0
78.1712417602539	160.0
78.33497619628906	240.0
78.74839782714844	200.0
78.87847900390625	212.0
79.01641082763672	164.0
79.0712661743164	184.0
79.76300048828125	196.0
80.88677215576172	156.0
81.20929718017578	144.0
81.70867919921875	204.0
82.21319580078125	152.0
82.23123931884766	144.0
83.33405303955078	152.0
84.7114486694336	240.0
85.02497863769531	140.0
85.33174133300781	196.0
86.70323944091797	144.0
86.8534164428711	212.0
87.19427490234375	192.0
87.28241729736328	176.0
87.50010681152344	152.0
87.66028594970703	204.0
87.97362518310547	164.0
88.64320373535156	212.0
88.7781753540039	212.0
88.84944915771484	156.0
88.9376449584961	148.0
90.15619659423828	152.0
90.38878631591797	160.0
91.16816711425781	148.0
92.25077056884766	224.0
92.3540267944336	176.0
92.51284790039062	196.0
92.8174819946289	176.0
92.90953826904297	212.0
93.07460021972656	188.0
93.44363403320312	152.0
94.06802368164062	188.0
94.52800750732422	140.0
94.8708267211914	140.0
95.37747192382812	144.0
95.64200592041016	160.0
96.08073425292969	532.0
96.84868621826172	148.0
97.08737182617188	320.0
97.42288970947266	176.0
98.09687042236328	2324.0
99.10011291503906	488.0
99.74652862548828	184.0
100.07958221435547	216.0
100.11126708984375	832.0
100.26483917236328	156.0
101.94186401367188	240.0
102.1348648071289	236.0
103.48493957519531	176.0
104.47330474853516	196.0
105.41322326660156	140.0
105.56449127197266	140.0
106.78266906738281	180.0
108.07816314697266	208.0
108.70186614990234	216.0
108.77243041992188	172.0
109.08949279785156	168.0
109.67933654785156	156.0
109.80860900878906	192.0
109.99430847167969	216.0
110.05937957763672	484.0
110.09786224365234	20320.0
110.23474884033203	128.0
110.34526824951172	140.0
111.06983184814453	140.0
111.10100555419922	1576.0
111.24610137939453	180.0
111.90201568603516	144.0
112.01729583740234	124.0
112.11141967773438	2240.0
113.11851501464844	196.0
114.09661865234375	156.0
115.09520721435547	176.0
115.3216552734375	168.0
115.60395812988281	192.0
116.1910400390625	152.0
116.41641235351562	176.0
117.18000793457031	176.0
118.03905487060547	180.0
118.07149505615234	152.0
119.21614074707031	240.0
119.28134155273438	224.0
119.46956634521484	172.0
119.9953842163086	184.0
120.05425262451172	324.0
120.0796127319336	208.0
121.95679473876953	224.0
122.09689331054688	164.0
122.28451538085938	220.0
123.49579620361328	148.0
123.73699188232422	144.0
123.92524719238281	160.0
124.07315063476562	432.0
125.19880676269531	236.0
125.6639175415039	196.0
125.94743347167969	160.0
126.09242248535156	3952.0
126.33861541748047	168.0
127.09439849853516	436.0
127.396728515625	156.0
128.14138793945312	188.0
128.27659606933594	164.0
129.17306518554688	196.0
129.4650421142578	160.0
131.82179260253906	240.0
132.16249084472656	220.0
132.20596313476562	140.0
133.03797912597656	148.0
134.33355712890625	140.0
134.4627685546875	212.0
134.71444702148438	220.0
135.28794860839844	160.0
135.818603515625	140.0
136.4153594970703	224.0
136.9738311767578	200.0
137.1019744873047	148.0
137.52877807617188	152.0
137.86276245117188	196.0
138.00534057617188	168.0
138.054443359375	184.0
138.0926971435547	48900.0
138.31741333007812	164.0
138.54896545410156	136.0
138.58815002441406	180.0
138.82989501953125	132.0
139.0421600341797	176.0
139.0990447998047	19596.0
139.3154296875	160.0
139.35067749023438	164.0
139.7379608154297	192.0
139.81507873535156	104.0
139.92138671875	120.0
140.1031951904297	2260.0
140.19039916992188	156.0
140.4571075439453	156.0
141.1078643798828	316.0
141.1226806640625	268.0
142.0942840576172	184.0
142.9352264404297	168.0
142.97329711914062	188.0
143.52833557128906	152.0
146.0621337890625	188.0
146.8714599609375	152.0
147.99278259277344	140.0
149.7533721923828	184.0
150.1994171142578	160.0
151.12405395507812	140.0
152.0564727783203	176.0
152.1431121826172	496.0
152.29954528808594	172.0
152.46661376953125	208.0
153.2836151123047	152.0
154.15773010253906	280.0
154.639404296875	148.0
156.3319549560547	212.0
156.36181640625	208.0
157.14675903320312	184.0
157.64614868164062	160.0
157.7086181640625	184.0
158.7637481689453	188.0
158.8153076171875	168.0
160.7171630859375	180.0
161.14639282226562	160.0
162.06228637695312	140.0
162.50852966308594	148.0
162.8080596923828	156.0
164.4042205810547	152.0
164.61993408203125	128.0
165.77235412597656	144.0
166.52145385742188	172.0
167.46536254882812	160.0
168.0634307861328	264.0
169.70584106445312	168.0
172.43394470214844	204.0
172.59078979492188	164.0
173.1691131591797	144.0
173.80088806152344	160.0
173.84812927246094	180.0
176.83567810058594	192.0
180.25404357910156	236.0
181.8662567138672	164.0
182.47335815429688	160.0
182.89300537109375	184.0
183.18528747558594	7716.0
183.30117797851562	164.0
184.0912322998047	336.0
184.18963623046875	916.0
185.97703552246094	176.0
186.27711486816406	124.0
187.1949920654297	140.0
187.4564971923828	140.0
188.0592041015625	160.0
190.39454650878906	196.0
190.8314666748047	172.0
190.9029541015625	212.0
191.04046630859375	144.0
191.88868713378906	188.0
195.07443237304688	308.0
195.1223907470703	160.0
195.96290588378906	208.0
196.06590270996094	432.0
196.08644104003906	2316.0
197.06854248046875	272.0
197.1017303466797	300.0
197.4591064453125	144.0
198.19253540039062	180.0
198.7140350341797	152.0
202.0271453857422	164.0
202.05543518066406	148.0
202.81150817871094	236.0
204.01222229003906	160.0
205.21363830566406	160.0
206.06954956054688	300.0
206.8885040283203	148.0
207.07106018066406	168.0
207.09970092773438	148.0
207.72169494628906	156.0
207.83932495117188	148.0
209.08078002929688	196.0
210.06748962402344	2004.0
210.46726989746094	148.0
211.0720672607422	428.0
211.18003845214844	528.0
211.3199005126953	184.0
211.63827514648438	184.0
211.715087890625	260.0
211.9263916015625	128.0
211.984130859375	180.0
212.0826873779297	7148.0
212.1626739501953	144.0
212.18240356445312	124.0
213.0858154296875	824.0
213.2090606689453	160.0
213.24441528320312	132.0
213.76885986328125	220.0
216.08267211914062	164.0
216.761962890625	144.0
219.560546875	156.0
220.0877227783203	184.0
220.21572875976562	140.0
221.0730743408203	156.0
221.84764099121094	132.0
222.0684814453125	1108.0
222.14859008789062	140.0
223.06674194335938	144.0
223.71168518066406	164.0
223.88734436035156	220.0
224.08290100097656	22580.0
224.16908264160156	148.0
224.42372131347656	172.0
224.9696807861328	148.0
225.08680725097656	3900.0
226.08753967285156	332.0
226.9022674560547	168.0
227.55029296875	160.0
229.62960815429688	156.0
230.25131225585938	164.0
231.1370391845703	172.0
231.2248077392578	140.0
231.3610076904297	168.0
233.41505432128906	164.0
234.066162109375	128.0
235.069091796875	276.0
235.3804473876953	160.0
236.012939453125	144.0
236.0834197998047	3208.0
236.24844360351562	172.0
236.8036651611328	184.0
236.9893341064453	232.0
237.0878143310547	1468.0
238.06414794921875	1412.0
238.10047912597656	968.0
238.2717742919922	184.0
238.34408569335938	120.0
238.8896942138672	172.0
239.0593719482422	272.0
239.10215759277344	300.0
240.3716278076172	200.0
240.93458557128906	108.0
242.1429901123047	180.0
243.22817993164062	152.0
243.47344970703125	180.0
244.3188934326172	144.0
246.65455627441406	160.0
247.28323364257812	156.0
247.99732971191406	148.0
248.08265686035156	108.0
248.94479370117188	176.0
249.09083557128906	328.0
250.06234741210938	272.0
250.1053009033203	124.0
250.1332244873047	172.0
251.1162872314453	156.0
251.17620849609375	188.0
251.3371124267578	148.0
251.87063598632812	144.0
251.91485595703125	144.0
252.0782470703125	43844.0
252.18344116210938	140.0
252.94798278808594	96.0
253.08030700683594	6788.0
253.98968505859375	112.0
254.0826416015625	980.0
254.45199584960938	96.0
254.8250274658203	152.0
254.85980224609375	160.0
254.97027587890625	140.0
255.0825653076172	168.0
255.12184143066406	156.0
257.1125793457031	144.0
258.44189453125	180.0
258.470703125	180.0
259.8933410644531	152.0
260.54498291015625	120.0
261.9315490722656	176.0
262.086181640625	184.0
262.3988342285156	176.0
262.5310363769531	144.0
262.727783203125	140.0
263.0971984863281	144.0
264.1135559082031	156.0
265.1058044433594	124.0
265.4122009277344	180.0
266.090087890625	364.0
266.2396545410156	204.0
266.68475341796875	192.0
267.1142272949219	148.0
268.09722900390625	164.0
272.8761901855469	144.0
272.9518127441406	152.0
274.7138366699219	168.0
275.8431701660156	204.0
276.1242370605469	248.0
276.8589172363281	164.0
277.10345458984375	156.0
277.9096984863281	164.0
278.14215087890625	104.0
278.5205383300781	160.0
279.1206359863281	152.0
279.5145568847656	172.0
280.0738525390625	196.0
281.1045227050781	148.0
282.1127014160156	160.0
285.2335205078125	152.0
285.69085693359375	236.0
286.3457946777344	152.0
287.7425231933594	172.0
288.0539245605469	220.0
288.40533447265625	176.0
289.1087951660156	148.0
289.3186340332031	204.0
289.60308837890625	144.0
290.120361328125	152.0
290.202880859375	140.0
290.850830078125	140.0
291.13262939453125	140.0
292.14208984375	160.0
292.4517517089844	168.0
294.47357177734375	156.0
294.7639465332031	152.0
294.8220520019531	140.0
295.12451171875	176.0
296.1267395019531	168.0
296.4235534667969	176.0
298.6929016113281	160.0
298.727294921875	160.0
299.1699523925781	120.0
299.80841064453125	152.0
300.7775573730469	148.0
302.05010986328125	156.0
302.1079406738281	156.0
302.6201477050781	208.0
304.27044677734375	168.0
304.92694091796875	220.0
305.13665771484375	264.0
305.47161865234375	136.0
307.1118469238281	128.0
309.9381103515625	212.0
312.7968444824219	220.0
313.5823059082031	180.0
313.6915588378906	144.0
314.1535339355469	220.0
314.33697509765625	140.0
314.5346374511719	212.0
314.651123046875	144.0
315.9198303222656	180.0
316.1285705566406	144.0
317.3541564941406	264.0
318.96746826171875	108.0
319.0689697265625	180.0
319.11163330078125	432.0
319.1560974121094	5600.0
319.212890625	100.0
320.1598815917969	928.0
320.45697021484375	156.0
320.7190856933594	144.0
321.1717529296875	2864.0
321.8520812988281	140.0
322.17510986328125	708.0
322.79132080078125	180.0
323.1561584472656	148.0
326.042724609375	232.0
326.17572021484375	148.0
327.8997497558594	160.0
328.4389343261719	208.0
328.6750793457031	160.0
329.2345886230469	180.0
330.1138916015625	176.0
331.1549987792969	1488.0
331.2975158691406	172.0
332.0610656738281	140.0
332.15960693359375	420.0
332.6053161621094	156.0
333.16387939453125	308.0
333.5206298828125	144.0
333.7933044433594	144.0
336.1647033691406	160.0
336.20849609375	164.0
336.2705383300781	244.0
337.1543273925781	148.0
337.428466796875	232.0
340.4110107421875	156.0
340.64239501953125	152.0
341.38848876953125	196.0
341.6091613769531	144.0
342.1022644042969	180.0
343.854736328125	180.0
343.97857666015625	212.0
344.4475402832031	152.0
345.6083679199219	148.0
346.4191589355469	208.0
347.060302734375	160.0
347.18304443359375	156.0
347.5387878417969	152.0
347.8684997558594	184.0
348.249267578125	124.0
348.3762512207031	160.0
348.56280517578125	152.0
348.80145263671875	140.0
348.9031677246094	148.0
349.1675109863281	79860.0
349.2634582519531	252.0
349.39605712890625	160.0
349.4864196777344	224.0
349.5585021972656	128.0
349.63458251953125	168.0
349.9100036621094	164.0
349.9360656738281	164.0
349.97344970703125	140.0
350.0585021972656	132.0
350.1702880859375	17308.0
350.3236083984375	132.0
350.7019958496094	132.0
350.7728271484375	144.0
350.88348388671875	232.0
350.95867919921875	212.0
351.0969543457031	96.0
351.17138671875	2612.0
351.7471008300781	108.0
352.1618347167969	128.0
352.2303771972656	244.0
352.27557373046875	108.0
352.3453369140625	176.0
352.4044189453125	136.0
352.6368103027344	140.0
353.1287841796875	116.0
353.5362548828125	112.0
353.8937072753906	144.0
356.33306884765625	116.0
357.01568603515625	232.0
361.1529846191406	172.0
362.7774353027344	168.0
363.589111328125	164.0
363.8908386230469	148.0
364.010498046875	144.0
364.7209167480469	148.0
365.2190246582031	140.0
365.2608642578125	144.0
365.75140380859375	100.0
367.3635559082031	228.0
368.566162109375	156.0
369.5258483886719	148.0
370.9063415527344	132.0
372.45849609375	160.0
372.9195556640625	152.0
372.9695129394531	144.0
375.279296875	140.0
375.7073974609375	148.0
376.7613220214844	196.0
378.40496826171875	172.0
378.86968994140625	148.0
382.2815246582031	160.0
382.9132385253906	160.0
384.5975646972656	184.0
385.1637268066406	152.0
386.0430908203125	184.0
386.9039001464844	152.0
390.59259033203125	168.0
391.1395263671875	188.0
391.1828308105469	160.0
391.3009338378906	144.0
393.60870361328125	232.0
398.2846374511719	196.0
402.7456970214844	156.0
402.9334411621094	192.0
405.19384765625	204.0
407.1673583984375	164.0
408.92425537109375	172.0
409.693359375	148.0
410.6567077636719	196.0
412.05743408203125	200.0
414.5093994140625	160.0
414.73870849609375	120.0
416.26788330078125	144.0
416.5338439941406	140.0
416.5785217285156	144.0
417.6760559082031	192.0
417.80389404296875	96.0
417.89263916015625	236.0
418.80352783203125	144.0
418.85089111328125	120.0
419.0987243652344	104.0
419.3250427246094	204.0
419.5348815917969	108.0
419.9781799316406	176.0
420.1719970703125	112.0
420.2126159667969	180.0
420.2497253417969	304.0
420.2877502441406	156.0
420.320068359375	144.0
420.3894348144531	156.0
420.485107421875	144.0
420.51873779296875	204.0
420.5769958496094	96.0
420.6287536621094	220.0
420.7032470703125	284.0
420.8131103515625	96.0
420.9373474121094	108.0
421.0135498046875	212.0
421.05645751953125	260.0
421.1206359863281	148.0
421.1885986328125	284.0
421.2438659667969	292.0
421.352294921875	372.0
421.46173095703125	168.0
421.5000305175781	280.0
421.5300598144531	212.0
421.5724182128906	296.0
421.63507080078125	156.0
421.6671142578125	172.0
421.755859375	316.0
421.790283203125	124.0
421.8253479003906	384.0
421.9539489746094	344.0
422.0380554199219	184.0
422.0703430175781	308.0
422.10614013671875	312.0
422.14910888671875	632.0
422.2585754394531	227772.0
422.36529541015625	268.0
422.4277038574219	132.0
422.51202392578125	296.0
422.5516357421875	244.0
422.62542724609375	292.0
422.7071838378906	356.0
422.7460632324219	128.0
422.8492736816406	292.0
422.88287353515625	148.0
422.9313659667969	4784.0
422.9754943847656	352.0
422.9910583496094	512.0
423.02972412109375	160.0
423.0879211425781	240.0
423.12945556640625	248.0
423.1729431152344	148.0
423.26007080078125	94716.0
423.5986633300781	348.0
423.6502990722656	204.0
423.68194580078125	332.0
423.8236389160156	96.0
423.8662414550781	192.0
423.9326477050781	256.0
423.9859924316406	188.0
424.016845703125	196.0
424.0773010253906	236.0
424.1667785644531	96.0
424.2621154785156	14592.0
424.41888427734375	164.0
424.5332336425781	264.0
424.7314147949219	108.0
424.8009033203125	160.0
424.8411865234375	192.0
424.89666748046875	120.0
424.9432373046875	188.0
425.0055847167969	164.0
425.0361328125	228.0
425.26837158203125	1540.0
425.35430908203125	132.0
425.43475341796875	104.0
425.4864196777344	176.0
425.51336669921875	400.0
425.60272216796875	232.0
425.6317443847656	240.0
425.6751708984375	176.0
425.72576904296875	176.0
425.80682373046875	320.0
425.84246826171875	284.0
425.8853759765625	260.0
425.9300842285156	424.0
425.9773864746094	340.0
426.0292053222656	220.0
426.0714416503906	392.0
426.1316833496094	220.0
426.1871337890625	232.0
426.2822570800781	164.0
426.3498840332031	152.0
426.5247802734375	204.0
426.60882568359375	116.0
426.6615295410156	224.0
426.72296142578125	132.0
426.81182861328125	100.0
426.84381103515625	176.0
426.980712890625	140.0
427.04150390625	188.0
427.2298278808594	112.0
427.26263427734375	160.0
427.306396484375	124.0
427.6754150390625	128.0
427.7912292480469	128.0
429.17828369140625	108.0
429.99945068359375	140.0
436.90228271484375	116.0
437.7032470703125	148.0
438.519775390625	160.0
438.9469299316406	128.0
445.2430114746094	140.0
469.72698974609375	140.0
511.0595397949219	156.0
548.2145385742188	228.0
597.0446166992188	152.0
611.8610229492188	140.0
630.257080078125	144.0
634.13037109375	168.0
653.00048828125	100.0
659.7083740234375	160.0
689.3264770507812	96.0
698.2476196289062	176.0
737.1727905273438	140.0
753.3203125	100.0
840.7803344726562	140.0
878.0145874023438	148.0
912.150146484375	160.0
956.7490234375	168.0
1182.485107421875	148.0
1272.3287353515625	172.0
1294.5748291015625	140.0
1312.4384765625	152.0
1320.0853271484375	144.0
1367.8382568359375	180.0
1372.0076904296875	148.0
1374.9285888671875	204.0
1382.799560546875	192.0
1388.3485107421875	156.0
1408.2867431640625	200.0
1419.0775146484375	176.0
1420.780029296875	148.0
1440.0198974609375	208.0
1448.968505859375	196.0
1454.853515625	180.0
1466.7811279296875	140.0
1478.06884765625	192.0
1485.8072509765625	160.0
1492.1124267578125	140.0
1499.8797607421875	220.0
1521.2681884765625	140.0
1522.6036376953125	212.0
1529.056396484375	240.0
1534.0958251953125	216.0
1548.4573974609375	172.0
1549.170166015625	156.0
1554.6192626953125	144.0
1565.9085693359375	152.0
1566.008056640625	100.0
1578.80419921875	156.0
1583.4180908203125	200.0
1587.8958740234375	180.0
1588.474853515625	172.0
1622.9998779296875	220.0
1625.1253662109375	192.0
1628.4085693359375	212.0
1634.622802734375	196.0
1635.556396484375	144.0
1636.562744140625	216.0
1637.1263427734375	180.0
1647.66845703125	152.0
1657.4503173828125	164.0
1660.9930419921875	172.0
1661.293212890625	172.0
1661.820556640625	168.0
1672.645263671875	192.0
1675.4139404296875	148.0
1687.14111328125	176.0
1690.600830078125	148.0
1691.0755615234375	140.0
1702.315185546875	140.0
1704.5823974609375	168.0
1711.6400146484375	208.0
1711.8624267578125	180.0
1715.0919189453125	152.0
1716.90576171875	192.0
1718.61328125	164.0
1720.2637939453125	240.0
1734.6822509765625	148.0
1739.825439453125	212.0
1740.0745849609375	248.0
1746.814208984375	148.0
1759.430908203125	140.0
1764.20947265625	140.0
1765.1876220703125	144.0
1767.253662109375	148.0
1769.0697021484375	188.0
1769.4129638671875	172.0
1773.2996826171875	164.0
1786.1629638671875	156.0
1794.7783203125	184.0
1795.80712890625	140.0
1800.964111328125	196.0
1801.5216064453125	168.0
1802.0960693359375	192.0
1805.6717529296875	220.0
1807.4144287109375	140.0
1815.2667236328125	172.0
1822.5750732421875	156.0
1830.4090576171875	176.0
1831.9251708984375	156.0
1832.3936767578125	196.0
1833.569580078125	160.0
1855.7261962890625	140.0
1864.5762939453125	164.0
1865.4959716796875	184.0
1869.2545166015625	236.0
1870.36474609375	148.0
1870.605712890625	168.0
1871.5096435546875	148.0
1876.368896484375	156.0
1877.3519287109375	148.0
1877.4122314453125	148.0
1881.3035888671875	140.0
1881.8734130859375	168.0
1883.1082763671875	144.0
1888.5101318359375	148.0
1891.123046875	208.0
1891.6424560546875	160.0
1896.2503662109375	144.0
1898.14892578125	176.0
1900.4388427734375	156.0
1910.986572265625	152.0
1915.957763671875	160.0
1918.650634765625	200.0
1919.329345703125	148.0
1921.6334228515625	212.0
1921.9561767578125	240.0
1923.42236328125	188.0
1923.666748046875	192.0
1923.9024658203125	140.0
1929.7734375	208.0
1932.7015380859375	144.0
1933.841064453125	148.0
1935.9158935546875	220.0
1940.2969970703125	272.0
1950.32177734375	164.0
1952.3262939453125	192.0
1953.5927734375	140.0
1959.808349609375	188.0
1960.2049560546875	180.0
1963.7047119140625	180.0
1971.26171875	156.0
1975.134033203125	140.0
1976.107177734375	168.0
1993.735107421875	172.0
1995.5128173828125	168.0
1999.996337890625	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079136
PEPMASS=285.083038
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_G2_H11_BD7_01_15731.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13
INCHI=InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
INCHIAUX=AAOVKJBEBIDNHE-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079136
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079136
SCANS=1420
47.26057052612305	164.0
48.72483444213867	148.0
49.29051971435547	152.0
50.75729751586914	148.0
51.00290298461914	240.0
51.14799118041992	156.0
52.26140594482422	152.0
53.56874465942383	204.0
54.37880325317383	244.0
57.451805114746094	172.0
58.530941009521484	140.0
59.33921432495117	176.0
59.62165069580078	200.0
60.32295227050781	160.0
62.95893478393555	224.0
64.88270568847656	152.0
65.22623443603516	180.0
65.361328125	152.0
66.81101989746094	208.0
66.9184341430664	212.0
68.94428253173828	148.0
70.13261413574219	172.0
70.79086303710938	148.0
71.74016571044922	200.0
72.89446258544922	220.0
73.05428314208984	156.0
73.2261962890625	176.0
73.24323272705078	172.0
73.43583679199219	144.0
73.8269271850586	144.0
74.52458953857422	172.0
75.2773208618164	180.0
75.53829193115234	164.0
75.6126937866211	180.0
75.70445251464844	152.0
76.11368560791016	168.0
77.98296356201172	208.0
79.02162170410156	172.0
79.17916107177734	180.0
82.7354507446289	200.0
84.16450500488281	148.0
85.86563873291016	156.0
87.95858001708984	144.0
89.3641128540039	204.0
89.84075927734375	148.0
90.61209106445312	240.0
91.30683135986328	168.0
91.85346984863281	184.0
92.63720703125	152.0
92.86530303955078	152.0
93.12632751464844	164.0
93.30119323730469	176.0
94.66920471191406	156.0
94.8358154296875	164.0
95.77428436279297	228.0
96.35169219970703	176.0
98.43368530273438	164.0
98.57195281982422	144.0
98.59567260742188	164.0
99.78897094726562	200.0
100.2786636352539	184.0
101.28367614746094	148.0
101.95177459716797	160.0
102.05228424072266	212.0
102.67854309082031	188.0
103.99362182617188	212.0
104.0472183227539	176.0
104.4080810546875	144.0
104.75816345214844	200.0
104.93138885498047	184.0
105.03512573242188	556.0
105.2374267578125	196.0
105.75462341308594	160.0
106.06390380859375	140.0
107.09331512451172	180.0
107.26433563232422	160.0
107.85054016113281	164.0
109.09877014160156	192.0
111.67696380615234	168.0
112.05140686035156	156.0
113.01750183105469	160.0
113.70377349853516	260.0
114.00867462158203	240.0
115.952880859375	180.0
116.05170440673828	256.0
116.10723876953125	168.0
116.78807067871094	164.0
116.91284942626953	160.0
116.93006896972656	148.0
116.97527313232422	200.0
117.05501556396484	768.0
118.06195831298828	464.0
118.4089584350586	232.0
119.04653930664062	144.0
119.07281494140625	124.0
119.44644927978516	172.0
119.8731689453125	152.0
121.08780670166016	160.0
121.72377014160156	152.0
121.94784545898438	172.0
122.42965698242188	144.0
122.74256896972656	148.0
123.16188049316406	156.0
124.19110870361328	140.0
124.75067138671875	156.0
125.01517486572266	296.0
125.09769439697266	196.0
125.49201965332031	188.0
126.01619720458984	140.0
127.0486068725586	192.0
128.41397094726562	160.0
128.9445343017578	152.0
129.1683807373047	144.0
129.20004272460938	168.0
130.0293731689453	244.0
130.34275817871094	216.0
130.3972930908203	144.0
131.06105041503906	200.0
131.54527282714844	192.0
131.8353271484375	148.0
132.975830078125	200.0
137.19503784179688	180.0
137.82752990722656	204.0
138.0097198486328	240.0
138.9940643310547	196.0
139.0175323486328	220.0
140.0272216796875	128.0
140.75901794433594	148.0
141.0316619873047	368.0
142.03225708007812	144.0
142.27430725097656	352.0
143.03262329101562	192.0
143.05902099609375	648.0
144.06541442871094	524.0
145.07740783691406	208.0
146.0645294189453	216.0
146.1870574951172	228.0
147.06838989257812	728.0
148.08164978027344	156.0
149.24700927734375	152.0
150.0134735107422	340.0
151.0101318359375	156.0
151.06393432617188	152.0
152.02789306640625	444.0
152.06118774414062	184.0
153.01510620117188	124.0
153.74948120117188	184.0
153.98838806152344	172.0
154.0421142578125	10536.0
154.0877685546875	164.0
154.88125610351562	156.0
155.00323486328125	236.0
155.0442657470703	708.0
155.2015380859375	168.0
155.22137451171875	168.0
155.34849548339844	164.0
155.56375122070312	144.0
156.03904724121094	2024.0
156.07606506347656	152.0
157.04244995117188	180.0
158.47918701171875	212.0
158.81761169433594	192.0
158.90792846679688	140.0
158.9932403564453	168.0
161.3433074951172	168.0
161.6696014404297	148.0
163.01168823242188	164.0
163.45606994628906	160.0
163.5349578857422	176.0
164.01124572753906	224.0
164.0278778076172	144.0
165.02493286132812	208.0
165.06549072265625	276.0
165.37518310546875	148.0
165.7132110595703	148.0
166.0761260986328	292.0
166.3158416748047	148.0
167.01467895507812	700.0
167.07904052734375	200.0
168.0142059326172	164.0
168.3213348388672	152.0
168.61582946777344	152.0
169.0128936767578	316.0
170.9706573486328	160.0
171.2882843017578	168.0
171.98448181152344	160.0
172.03407287597656	276.0
172.0623016357422	2168.0
172.18551635742188	232.0
172.75009155273438	140.0
173.0693817138672	148.0
173.34442138671875	184.0
173.5121612548828	176.0
175.3917236328125	204.0
176.06451416015625	148.0
177.03073120117188	216.0
178.0294952392578	168.0
178.05606079101562	140.0
179.0387725830078	1148.0
179.08155822753906	116.0
179.74647521972656	168.0
179.9119415283203	232.0
180.02171325683594	920.0
180.05416870117188	264.0
180.08229064941406	192.0
180.3607177734375	176.0
180.94387817382812	152.0
181.0293426513672	180.0
181.08848571777344	196.0
181.1741943359375	180.0
182.03684997558594	1076.0
182.08779907226562	140.0
182.2446746826172	176.0
182.7366943359375	156.0
183.0452880859375	436.0
183.08392333984375	160.0
183.3155975341797	184.0
184.0338897705078	716.0
184.1546173095703	144.0
185.04698181152344	332.0
185.60513305664062	176.0
185.6349639892578	140.0
185.9387969970703	152.0
188.187255859375	152.0
189.85916137695312	152.0
190.4080352783203	160.0
190.54812622070312	184.0
190.80096435546875	172.0
191.07632446289062	216.0
192.0766143798828	288.0
193.08883666992188	12700.0
193.24728393554688	180.0
193.6126708984375	220.0
193.78994750976562	148.0
193.88693237304688	172.0
194.09324645996094	1936.0
195.1008758544922	148.0
195.33627319335938	176.0
195.70919799804688	144.0
195.9849395751953	156.0
196.05459594726562	236.0
196.49795532226562	156.0
196.95297241210938	140.0
199.03375244140625	472.0
200.84613037109375	200.0
201.04644775390625	324.0
201.2779083251953	180.0
204.08160400390625	540.0
205.08450317382812	444.0
205.3488311767578	304.0
205.63555908203125	156.0
206.0838165283203	636.0
207.03176879882812	364.0
207.06219482421875	156.0
207.09341430664062	572.0
207.72430419921875	160.0
208.03741455078125	140.0
208.08819580078125	416.0
208.10694885253906	324.0
208.5570068359375	164.0
208.88479614257812	192.0
211.44406127929688	140.0
211.6090545654297	176.0
214.0396270751953	304.0
214.25091552734375	176.0
214.97792053222656	152.0
215.026611328125	420.0
215.05087280273438	172.0
215.07421875	216.0
215.52688598632812	176.0
215.64376831054688	200.0
216.02915954589844	160.0
216.0558319091797	1480.0
217.03428649902344	220.0
218.08523559570312	168.0
218.72811889648438	176.0
219.05035400390625	156.0
219.08470153808594	128.0
219.24618530273438	156.0
220.10023498535156	288.0
221.1067657470703	1568.0
221.7051239013672	168.0
221.89144897460938	124.0
222.07984924316406	184.0
222.11538696289062	11136.0
222.177978515625	208.0
223.1197509765625	1600.0
223.4227294921875	196.0
224.1168212890625	180.0
225.03208923339844	140.0
225.1967315673828	116.0
225.63558959960938	168.0
226.03990173339844	732.0
227.05113220214844	840.0
227.4839630126953	288.0
228.05728149414062	6704.0
228.8970184326172	220.0
229.05596923828125	1200.0
230.0546112060547	1568.0
231.07215881347656	216.0
231.22450256347656	212.0
232.07383728027344	316.0
232.2030792236328	220.0
232.33047485351562	184.0
233.4907684326172	160.0
239.0524444580078	160.0
240.06121826171875	180.0
240.69851684570312	148.0
241.05300903320312	3416.0
241.30718994140625	228.0
241.6803741455078	140.0
241.98165893554688	148.0
242.0608673095703	1184.0
242.63658142089844	104.0
243.04904174804688	1352.0
243.4141387939453	140.0
243.45761108398438	192.0
244.0580291748047	472.0
244.60487365722656	168.0
245.06578063964844	360.0
245.47410583496094	244.0
245.86717224121094	228.0
246.07005310058594	148.0
247.17771911621094	756.0
247.23910522460938	160.0
248.09104919433594	160.0
249.09689331054688	160.0
250.11000061035156	196.0
250.53912353515625	160.0
250.80381774902344	200.0
251.10964965820312	168.0
251.55455017089844	244.0
252.13571166992188	220.0
252.8441162109375	144.0
254.365478515625	192.0
254.88632202148438	156.0
255.0388641357422	156.0
255.06948852539062	1204.0
256.06878662109375	468.0
256.2098693847656	232.0
256.5923156738281	140.0
257.0832214355469	5752.0
257.1888427734375	228.0
258.08721923828125	668.0
258.5439453125	140.0
258.62396240234375	156.0
259.0818176269531	1468.0
259.2677001953125	184.0
259.9635925292969	140.0
260.08416748046875	416.0
260.2942199707031	204.0
262.2953186035156	180.0
263.0888671875	172.0
263.14697265625	144.0
263.90625	172.0
265.1201171875	152.0
265.1460266113281	148.0
267.1884460449219	144.0
269.0492858886719	420.0
269.5588073730469	192.0
270.9165954589844	164.0
270.98541259765625	192.0
271.0450134277344	164.0
271.0837097167969	224.0
276.53082275390625	156.0
277.2196350097656	204.0
277.5743408203125	164.0
277.62408447265625	180.0
280.09014892578125	184.0
281.2371520996094	176.0
281.7614440917969	200.0
282.8817138671875	140.0
283.06585693359375	236.0
283.6004333496094	120.0
283.95391845703125	144.0
283.99249267578125	128.0
284.2405090332031	172.0
284.2922668457031	160.0
284.3626403808594	168.0
284.5290832519531	176.0
284.666748046875	128.0
284.73590087890625	176.0
284.76611328125	148.0
284.83917236328125	160.0
284.8883056640625	148.0
284.9197692871094	220.0
284.9669494628906	112.0
285.0087585449219	236.0
285.0807189941406	131216.0
285.1828308105469	148.0
285.2818908691406	208.0
285.4884033203125	104.0
285.53369140625	144.0
285.5853576660156	176.0
285.63201904296875	620.0
285.6628723144531	100.0
285.70648193359375	104.0
285.787109375	212.0
285.9176940917969	184.0
285.97039794921875	128.0
286.0416259765625	108.0
286.0827331542969	26112.0
286.2009582519531	128.0
286.3595275878906	120.0
286.41326904296875	128.0
286.4439697265625	140.0
286.48687744140625	112.0
286.65411376953125	116.0
286.8569641113281	192.0
286.99798583984375	156.0
287.02374267578125	168.0
287.077392578125	51332.0
287.2218322753906	120.0
287.3275451660156	132.0
287.64984130859375	260.0
287.71417236328125	128.0
287.7896728515625	128.0
287.83740234375	112.0
287.8738708496094	136.0
287.9008483886719	264.0
287.9424743652344	104.0
288.0094299316406	148.0
288.08001708984375	5264.0
288.21136474609375	128.0
288.25250244140625	112.0
288.2900390625	176.0
288.3334655761719	132.0
288.38421630859375	132.0
288.4100646972656	132.0
288.6163024902344	108.0
288.673095703125	140.0
288.744140625	136.0
289.02899169921875	128.0
289.08026123046875	264.0
289.2048645019531	128.0
289.6327819824219	100.0
289.722900390625	108.0
289.8093566894531	164.0
296.9065246582031	164.0
297.6923828125	192.0
339.1412048339844	172.0
344.0298156738281	140.0
535.2664184570312	140.0
1218.0345458984375	180.0
1477.5943603515625	220.0
1629.6033935546875	212.0
1640.298583984375	184.0
1645.4130859375	212.0
1667.6326904296875	180.0
1702.1898193359375	288.0
1711.390869140625	176.0
1726.03662109375	172.0
1729.627197265625	188.0
1758.82763671875	172.0
1867.34228515625	212.0
1869.5791015625	188.0
1882.639404296875	152.0
1893.6488037109375	184.0
1904.0821533203125	164.0
1915.3194580078125	164.0
1990.339111328125	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079137
PEPMASS=279.15033
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_G2_H11_BD7_01_15731.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O
INCHI=InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
INCHIAUX=BYPFEZZEUUWMEJ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079137
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079137
SCANS=1069
45.2076530456543	184.0
45.47972106933594	144.0
46.46211624145508	156.0
46.53676223754883	168.0
47.15522003173828	192.0
49.37993621826172	184.0
50.08312225341797	192.0
50.4076042175293	264.0
51.447288513183594	156.0
52.4990234375	172.0
52.75313949584961	240.0
54.816993713378906	200.0
55.4139404296875	188.0
55.81468963623047	204.0
56.586082458496094	224.0
56.63849639892578	168.0
57.000057220458984	148.0
58.01127624511719	152.0
58.144752502441406	224.0
58.26926803588867	164.0
58.89994430541992	196.0
58.92285919189453	148.0
59.95553970336914	156.0
60.31824493408203	140.0
60.75959396362305	160.0
62.38219451904297	180.0
64.9098892211914	220.0
65.5125961303711	152.0
67.3831787109375	148.0
68.81206512451172	220.0
69.90604400634766	148.0
71.10260009765625	212.0
71.94420623779297	192.0
72.05229187011719	220.0
72.71267700195312	156.0
72.94367218017578	148.0
73.98597717285156	176.0
74.21383666992188	196.0
75.44137573242188	164.0
75.46038818359375	144.0
77.4494857788086	164.0
77.76333618164062	212.0
77.94070434570312	176.0
80.0902099609375	184.0
80.3683090209961	164.0
80.58792877197266	176.0
80.6397476196289	152.0
80.69873809814453	196.0
81.5484390258789	216.0
82.0759048461914	144.0
84.12242126464844	140.0
85.2065658569336	144.0
85.22677612304688	176.0
86.92106628417969	104.0
87.5073471069336	160.0
87.66380310058594	164.0
90.46238708496094	148.0
90.97611236572266	168.0
92.10914611816406	192.0
93.34146881103516	180.0
93.44148254394531	152.0
94.02726745605469	232.0
95.84236145019531	208.0
95.9222640991211	164.0
97.27983856201172	140.0
97.32891845703125	244.0
97.55682373046875	164.0
98.57975006103516	160.0
98.85462188720703	164.0
99.08099365234375	3416.0
99.46703338623047	200.0
100.08289337158203	420.0
100.18091583251953	152.0
100.65758514404297	160.0
101.48997497558594	140.0
101.65245056152344	172.0
102.12657928466797	164.0
102.51513671875	236.0
102.58365631103516	164.0
104.36729431152344	180.0
105.15565490722656	160.0
107.25184631347656	160.0
108.05862426757812	176.0
109.03985595703125	320.0
109.22515106201172	148.0
109.37496948242188	152.0
109.6749038696289	236.0
109.92308044433594	164.0
110.07109069824219	3144.0
111.07424926757812	584.0
111.52415466308594	160.0
112.01547241210938	224.0
112.08636474609375	172.0
113.03714752197266	464.0
113.25114440917969	196.0
113.64331817626953	144.0
114.7812728881836	148.0
117.9674301147461	148.0
118.56914520263672	192.0
120.90814971923828	160.0
120.9256591796875	160.0
121.07015228271484	144.0
121.20158386230469	172.0
122.05828857421875	280.0
122.40750122070312	196.0
122.72699737548828	172.0
122.82624053955078	148.0
122.99393463134766	164.0
123.0448989868164	540.0
123.09990692138672	192.0
123.44463348388672	212.0
123.9825668334961	152.0
124.04462432861328	200.0
124.08577728271484	144.0
124.94400787353516	148.0
125.02633666992188	140.0
125.58554077148438	164.0
126.685302734375	212.0
126.73011016845703	148.0
127.66388702392578	188.0
127.88887023925781	140.0
127.91426086425781	128.0
129.05516052246094	192.0
130.66773986816406	228.0
131.1117706298828	148.0
131.4994659423828	200.0
132.40481567382812	192.0
132.75086975097656	168.0
132.996337890625	180.0
133.5201873779297	192.0
133.63980102539062	160.0
133.9091339111328	160.0
135.06539916992188	960.0
135.0863037109375	152.0
135.12562561035156	188.0
136.04696655273438	144.0
137.05609130859375	184.0
137.08187866210938	1448.0
137.6288299560547	192.0
137.84840393066406	148.0
138.02316284179688	152.0
138.06655883789062	24152.0
139.0692596435547	1712.0
139.9100799560547	180.0
139.9954071044922	116.0
140.07200622558594	172.0
141.31668090820312	144.0
141.8566436767578	208.0
142.55917358398438	144.0
145.70120239257812	212.0
148.08444213867188	188.0
149.0464630126953	144.0
150.84124755859375	176.0
155.05262756347656	156.0
155.09971618652344	176.0
156.0751495361328	768.0
157.01417541503906	156.0
157.0790252685547	284.0
157.89825439453125	216.0
158.2986602783203	144.0
159.32701110839844	148.0
162.10751342773438	196.0
162.97218322753906	172.0
163.0608673095703	2944.0
163.1239471435547	160.0
164.06626892089844	332.0
165.0449981689453	180.0
165.07615661621094	148.0
166.0885009765625	212.0
169.11221313476562	180.0
171.46266174316406	164.0
172.20883178710938	164.0
175.11488342285156	192.0
175.259765625	168.0
175.3968048095703	176.0
177.7373046875	140.0
179.67689514160156	156.0
180.07164001464844	240.0
180.37388610839844	224.0
180.55430603027344	116.0
180.81520080566406	144.0
180.84463500976562	156.0
181.0240020751953	144.0
181.0726318359375	76876.0
181.26846313476562	172.0
181.4306640625	180.0
181.52178955078125	136.0
181.9946746826172	204.0
182.07461547851562	5692.0
183.07774353027344	432.0
183.30828857421875	96.0
183.34030151367188	100.0
183.38397216796875	124.0
183.4577178955078	144.0
183.54637145996094	204.0
187.41244506835938	216.0
187.880859375	124.0
188.21435546875	148.0
189.6807403564453	196.0
191.11428833007812	148.0
193.07215881347656	1652.0
194.07215881347656	196.0
195.80364990234375	160.0
196.2606658935547	208.0
202.33795166015625	224.0
203.1512908935547	164.0
204.03448486328125	172.0
208.75802612304688	140.0
213.9241180419922	132.0
217.1366729736328	144.0
218.77037048339844	140.0
221.10105895996094	320.0
222.10145568847656	152.0
225.9014892578125	164.0
230.17225646972656	176.0
232.0663604736328	308.0
233.1591339111328	200.0
235.1200408935547	136.0
235.158935546875	384.0
235.2119598388672	180.0
236.15916442871094	216.0
236.9305419921875	160.0
237.95181274414062	148.0
238.89834594726562	200.0
244.62950134277344	156.0
251.02101135253906	228.0
251.15353393554688	156.0
251.83212280273438	144.0
252.35986328125	148.0
254.14622497558594	172.0
259.41485595703125	152.0
261.06195068359375	144.0
261.1407470703125	284.0
262.95947265625	168.0
263.8606872558594	140.0
264.4753112792969	212.0
265.9013977050781	244.0
266.07342529296875	148.0
267.3150329589844	148.0
269.6892395019531	140.0
271.48004150390625	172.0
272.0837707519531	208.0
276.74237060546875	140.0
276.91455078125	192.0
277.2160339355469	152.0
277.3088073730469	160.0
277.799560546875	160.0
278.0869445800781	112.0
278.1944580078125	144.0
278.26190185546875	156.0
278.3493347167969	172.0
278.4169006347656	168.0
278.5914306640625	148.0
278.645263671875	188.0
278.6976013183594	176.0
278.7550354003906	128.0
278.81341552734375	112.0
278.8683776855469	184.0
278.9397277832031	244.0
279.0184326171875	136.0
279.1013488769531	296.0
279.14630126953125	115840.0
279.36419677734375	124.0
279.43963623046875	344.0
279.54913330078125	124.0
279.6596984863281	104.0
279.69183349609375	120.0
279.74774169921875	172.0
279.9089050292969	216.0
280.0660095214844	156.0
280.0931701660156	144.0
280.1481018066406	12124.0
280.2451171875	100.0
280.66741943359375	104.0
281.1514587402344	2284.0
281.40887451171875	128.0
281.8907775878906	164.0
281.9735107421875	136.0
282.0438537597656	320.0
282.1431884765625	260.0
282.169921875	200.0
282.28076171875	144.0
282.87664794921875	132.0
292.6448059082031	100.0
1309.4664306640625	148.0
1311.4189453125	184.0
1331.6121826171875	160.0
1339.2635498046875	152.0
1385.0841064453125	168.0
1394.8489990234375	180.0
1423.576171875	156.0
1430.3126220703125	172.0
1484.2314453125	204.0
1516.0833740234375	172.0
1534.388427734375	148.0
1581.007568359375	168.0
1588.7646484375	176.0
1613.89208984375	144.0
1617.052001953125	168.0
1632.672119140625	160.0
1650.5418701171875	160.0
1661.3623046875	176.0
1672.9425048828125	208.0
1692.23388671875	144.0
1719.8387451171875	148.0
1734.0150146484375	200.0
1735.2750244140625	184.0
1763.168701171875	148.0
1771.3851318359375	160.0
1789.583740234375	164.0
1801.0189208984375	148.0
1802.1424560546875	148.0
1807.64697265625	200.0
1821.0501708984375	184.0
1832.5	176.0
1836.4383544921875	180.0
1861.1787109375	172.0
1872.3663330078125	160.0
1878.33056640625	188.0
1878.822265625	176.0
1880.6689453125	204.0
1892.3477783203125	148.0
1901.996337890625	196.0
1907.7293701171875	256.0
1923.3216552734375	256.0
1924.351806640625	224.0
1935.2020263671875	212.0
1947.8304443359375	144.0
1955.295166015625	208.0
1959.7420654296875	156.0
1965.826171875	140.0
1976.12890625	160.0
1980.7322998046875	172.0
2003.0010986328125	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079138
PEPMASS=389.170044
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_G2_H11_BD7_01_15731.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=LEVOCETIRIZINE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OC(=O)COCCN1CCN(CC1)[C@H](c2ccccc2)c3ccc(Cl)cc3
INCHI=InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1
INCHIAUX=ZKLPARSLTMPFCP-OAQYLSRUSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079138
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079138
SCANS=1201
45.08097457885742	132.0
45.211788177490234	152.0
45.23122787475586	132.0
45.51474380493164	172.0
45.92520523071289	164.0
45.961631774902344	224.0
46.11017608642578	176.0
46.13045120239258	144.0
46.20077133178711	160.0
46.226478576660156	176.0
46.41341018676758	148.0
46.426971435546875	156.0
46.770999908447266	132.0
47.097957611083984	148.0
47.175846099853516	140.0
47.23274612426758	164.0
47.42908477783203	196.0
47.472957611083984	192.0
47.762752532958984	148.0
47.95600128173828	156.0
48.03411102294922	188.0
48.27857971191406	168.0
48.44882583618164	212.0
48.48624038696289	168.0
48.985050201416016	140.0
49.07145690917969	168.0
49.22214889526367	196.0
49.52979278564453	164.0
49.654571533203125	156.0
49.71208953857422	168.0
49.82441711425781	140.0
49.83846664428711	164.0
49.90874481201172	196.0
49.95937728881836	208.0
50.01003646850586	176.0
50.31535339355469	128.0
50.5477294921875	140.0
50.66099548339844	168.0
50.689334869384766	156.0
50.74461364746094	160.0
50.89358901977539	164.0
50.95940017700195	156.0
50.995872497558594	160.0
51.085453033447266	196.0
51.11248779296875	180.0
51.30904006958008	224.0
51.49882888793945	188.0
51.64604568481445	164.0
51.77485656738281	140.0
51.7992057800293	192.0
52.2119026184082	248.0
52.448699951171875	148.0
52.585723876953125	184.0
52.64133071899414	108.0
52.69113540649414	148.0
52.91096496582031	192.0
52.93010711669922	144.0
53.02539825439453	160.0
53.079036712646484	168.0
53.19888687133789	112.0
53.276424407958984	168.0
53.30709457397461	148.0
53.37089538574219	208.0
53.427616119384766	152.0
53.47774887084961	188.0
53.574649810791016	140.0
53.65188980102539	140.0
53.66269302368164	156.0
53.749610900878906	172.0
53.86494445800781	144.0
53.95116424560547	148.0
54.12527084350586	164.0
54.217559814453125	156.0
54.408241271972656	152.0
54.553680419921875	156.0
55.46743392944336	148.0
55.658817291259766	176.0
55.669212341308594	160.0
56.035118103027344	180.0
56.13945770263672	184.0
56.25882339477539	172.0
56.309593200683594	156.0
56.56584930419922	208.0
56.61168670654297	172.0
56.64875411987305	192.0
56.73305130004883	216.0
56.77203369140625	184.0
56.80167007446289	200.0
56.9025764465332	176.0
56.9175910949707	144.0
57.124996185302734	144.0
57.49715805053711	160.0
57.638797760009766	136.0
57.787288665771484	192.0
58.11910629272461	148.0
58.2830924987793	176.0
58.40623474121094	196.0
58.527984619140625	216.0
58.7749137878418	140.0
58.89551544189453	180.0
58.907737731933594	200.0
58.98566818237305	160.0
59.00401306152344	144.0
59.2094612121582	136.0
59.26726531982422	156.0
59.35157012939453	156.0
59.46138000488281	196.0
59.60791015625	156.0
60.168006896972656	168.0
60.434391021728516	160.0
60.460697174072266	156.0
60.74734115600586	212.0
60.84986114501953	128.0
60.880821228027344	148.0
61.280582427978516	172.0
61.319541931152344	144.0
61.414649963378906	212.0
61.441165924072266	216.0
61.53062438964844	212.0
61.974308013916016	192.0
62.18444061279297	164.0
62.6483039855957	184.0
62.75547409057617	248.0
62.89271926879883	140.0
62.951133728027344	148.0
63.022212982177734	184.0
63.0806884765625	160.0
63.10914611816406	164.0
63.17240524291992	152.0
63.26260757446289	144.0
63.28793716430664	164.0
63.670101165771484	172.0
63.70822525024414	140.0
63.919681549072266	196.0
64.14105987548828	144.0
64.17613220214844	152.0
64.32854461669922	120.0
64.59294891357422	152.0
64.89883422851562	156.0
64.91571044921875	168.0
65.31477355957031	208.0
65.34749603271484	188.0
65.46928405761719	176.0
65.5868911743164	168.0
65.61752319335938	152.0
65.66912841796875	160.0
65.7853012084961	152.0
65.80628967285156	148.0
65.98239135742188	168.0
66.02281951904297	168.0
66.1117935180664	180.0
66.2429428100586	156.0
66.4163818359375	196.0
66.45693969726562	192.0
66.54458618164062	176.0
66.94783782958984	140.0
67.17929077148438	160.0
67.25128936767578	128.0
67.37845611572266	168.0
67.40296173095703	168.0
67.4160385131836	184.0
67.63519287109375	164.0
67.8104476928711	176.0
68.03024291992188	148.0
68.19286346435547	180.0
68.27506256103516	128.0
68.39187622070312	164.0
68.4659652709961	204.0
68.50054931640625	172.0
68.52361297607422	164.0
68.55986785888672	360.0
68.67032623291016	220.0
68.79573059082031	232.0
68.89811706542969	160.0
69.00223541259766	156.0
69.02643585205078	176.0
69.09320068359375	140.0
69.16600799560547	184.0
69.21826934814453	124.0
69.27220153808594	216.0
69.5505599975586	224.0
69.6950454711914	204.0
69.70597076416016	164.0
69.89790344238281	180.0
69.96614074707031	156.0
69.97779846191406	176.0
70.2110824584961	264.0
70.2477798461914	168.0
70.463134765625	168.0
70.4748306274414	160.0
70.6102294921875	176.0
70.76250457763672	140.0
71.0641860961914	164.0
71.08538055419922	172.0
71.11117553710938	172.0
71.23480224609375	128.0
71.27239227294922	204.0
71.30912017822266	140.0
71.4522933959961	176.0
71.6627426147461	180.0
71.6805419921875	164.0
72.22997283935547	200.0
72.91836547851562	168.0
73.04418182373047	172.0
73.35069274902344	204.0
73.56391906738281	180.0
73.93733978271484	304.0
73.97418212890625	184.0
74.25690460205078	144.0
74.29292297363281	200.0
74.57797241210938	144.0
74.63126373291016	188.0
74.7396240234375	348.0
74.83428955078125	152.0
75.05878448486328	180.0
75.2947006225586	172.0
75.37071228027344	148.0
75.38971710205078	140.0
75.73053741455078	180.0
75.884765625	140.0
75.92985534667969	172.0
76.01832580566406	156.0
76.14505767822266	180.0
76.18501281738281	156.0
76.3396987915039	188.0
76.56593322753906	164.0
76.77854919433594	144.0
76.79947662353516	164.0
77.0298843383789	172.0
77.38489532470703	160.0
77.6126708984375	204.0
77.93934631347656	216.0
78.07626342773438	160.0
78.17477416992188	168.0
78.48707580566406	152.0
78.79190063476562	168.0
78.85374450683594	184.0
78.9209213256836	196.0
79.0465087890625	144.0
79.48241424560547	140.0
79.65817260742188	108.0
79.71147155761719	184.0
79.83769226074219	164.0
79.89105224609375	156.0
80.0423355102539	220.0
80.10563659667969	120.0
80.19910430908203	156.0
80.33462524414062	156.0
80.40847778320312	144.0
80.43276977539062	160.0
80.59170532226562	144.0
80.82772827148438	192.0
80.86888885498047	164.0
80.95661926269531	188.0
81.00676727294922	180.0
81.04618072509766	168.0
81.0712661743164	172.0
81.1680679321289	160.0
81.34388732910156	152.0
81.53787231445312	140.0
81.64328002929688	196.0
81.76724243164062	312.0
81.9476318359375	196.0
82.0652084350586	160.0
82.551025390625	252.0
82.599853515625	180.0
82.79351806640625	140.0
82.94933319091797	148.0
83.06719970703125	184.0
83.10348510742188	180.0
83.2414321899414	236.0
83.27519226074219	232.0
83.43948364257812	164.0
83.51586151123047	156.0
83.66223907470703	196.0
83.71129608154297	172.0
83.73790740966797	160.0
83.9365463256836	164.0
83.99308013916016	156.0
84.13176727294922	208.0
84.3528060913086	172.0
84.40399932861328	160.0
84.46434783935547	144.0
84.54444885253906	200.0
84.6180648803711	200.0
84.70963287353516	180.0
84.89108276367188	148.0
85.19392395019531	216.0
85.73326110839844	160.0
85.78463745117188	164.0
85.94139862060547	180.0
86.37554168701172	172.0
86.42364501953125	212.0
86.44770050048828	152.0
86.8311767578125	152.0
86.98744201660156	240.0
87.0315933227539	196.0
87.10401916503906	216.0
87.39031219482422	168.0
87.41937255859375	104.0
87.4386978149414	148.0
87.64540100097656	168.0
87.69757843017578	192.0
87.7641372680664	188.0
87.80012512207031	160.0
87.93817901611328	172.0
87.99791717529297	184.0
88.0177230834961	164.0
88.61698913574219	200.0
88.79132080078125	148.0
88.86072540283203	156.0
89.26455688476562	268.0
89.3059310913086	164.0
89.49223327636719	152.0
89.53177642822266	184.0
89.56945037841797	180.0
90.15621185302734	180.0
90.19502258300781	232.0
90.39448547363281	140.0
90.46072387695312	152.0
90.48722839355469	168.0
90.52888488769531	168.0
90.63117980957031	172.0
90.66149139404297	196.0
90.8321304321289	180.0
90.94218444824219	140.0
90.98394775390625	168.0
90.99723815917969	216.0
91.15868377685547	152.0
91.43443298339844	224.0
91.457275390625	148.0
91.5372314453125	284.0
91.76778411865234	212.0
91.80401611328125	160.0
91.9127426147461	196.0
91.92800903320312	184.0
91.98145294189453	144.0
92.37317657470703	224.0
92.55882263183594	140.0
92.64500427246094	144.0
92.72547912597656	208.0
92.82516479492188	172.0
93.12838745117188	148.0
93.27826690673828	188.0
93.30709838867188	140.0
93.4532699584961	176.0
93.55219268798828	160.0
93.83922576904297	308.0
93.88861083984375	144.0
94.01902770996094	152.0
94.07769775390625	172.0
94.20879364013672	212.0
94.24185943603516	156.0
94.40809631347656	164.0
94.72357177734375	152.0
94.84952545166016	192.0
94.89604949951172	144.0
94.95846557617188	216.0
95.06092071533203	192.0
95.53499603271484	144.0
95.55445098876953	148.0
95.60115051269531	140.0
95.63229370117188	156.0
95.64786529541016	204.0
96.26004028320312	164.0
96.42548370361328	168.0
97.3566665649414	140.0
97.69866943359375	156.0
97.8521728515625	224.0
97.91912078857422	172.0
98.41803741455078	148.0
98.49060821533203	160.0
98.82717895507812	192.0
99.00334930419922	160.0
99.09209442138672	204.0
99.31887817382812	196.0
99.50501251220703	180.0
99.62217712402344	156.0
99.82689666748047	236.0
99.92237091064453	180.0
99.96017456054688	152.0
100.03779602050781	140.0
100.12938690185547	140.0
100.44983673095703	232.0
100.57083129882812	136.0
100.58899688720703	156.0
100.64279174804688	192.0
100.87774658203125	128.0
101.05960845947266	140.0
101.11164093017578	160.0
101.14766693115234	172.0
101.17769622802734	164.0
101.43009948730469	164.0
101.50701141357422	224.0
101.55039978027344	156.0
101.65071105957031	160.0
102.0584716796875	168.0
102.09064483642578	144.0
102.34687042236328	216.0
102.4549560546875	172.0
102.5194320678711	148.0
102.56780242919922	200.0
102.733154296875	156.0
102.74727630615234	208.0
102.92488861083984	152.0
103.1976547241211	160.0
103.31495666503906	156.0
103.60647583007812	160.0
103.69766235351562	216.0
103.88825988769531	176.0
104.0607681274414	156.0
104.23137664794922	140.0
104.30860900878906	204.0
104.33910369873047	192.0
104.64457702636719	108.0
104.66056060791016	308.0
104.6768569946289	152.0
104.75628662109375	208.0
105.02330780029297	144.0
105.14368438720703	176.0
105.7650146484375	160.0
105.88786315917969	160.0
105.931640625	240.0
106.05996704101562	176.0
106.09276580810547	148.0
106.29786682128906	184.0
106.50727081298828	156.0
106.5237045288086	140.0
106.59767150878906	192.0
106.95655059814453	128.0
107.14497375488281	144.0
107.39852142333984	140.0
107.58010864257812	240.0
107.78044128417969	144.0
107.89231872558594	212.0
108.16096496582031	148.0
108.22879791259766	220.0
108.35977172851562	272.0
108.52764892578125	180.0
108.61968231201172	160.0
108.86588287353516	156.0
108.91389465332031	200.0
108.97389221191406	140.0
109.09708404541016	188.0
109.17759704589844	176.0
109.44603729248047	160.0
109.77943420410156	168.0
109.82323455810547	156.0
109.87329864501953	152.0
110.01311492919922	148.0
110.06531524658203	144.0
110.23868560791016	156.0
110.26167297363281	160.0
110.29930114746094	160.0
110.43223571777344	192.0
110.46658325195312	168.0
110.5523681640625	144.0
110.58482360839844	204.0
110.80572509765625	148.0
111.0267105102539	140.0
111.05517578125	192.0
111.09293365478516	156.0
111.178955078125	152.0
111.83390045166016	108.0
111.95257568359375	160.0
112.06000518798828	152.0
112.11479187011719	144.0
112.23072814941406	192.0
112.42633819580078	180.0
112.61691284179688	208.0
112.66127014160156	148.0
112.70352172851562	220.0
112.7436752319336	168.0
112.76903533935547	188.0
112.8747329711914	168.0
112.90010833740234	168.0
113.0820541381836	168.0
113.17520141601562	152.0
113.2599105834961	172.0
113.38915252685547	152.0
113.42160034179688	244.0
113.57785034179688	176.0
113.59693908691406	160.0
113.62451934814453	196.0
113.78369140625	180.0
113.80916595458984	156.0
113.9217300415039	156.0
114.0428466796875	160.0
114.099853515625	196.0
114.1257553100586	156.0
114.45555877685547	196.0
114.57056427001953	156.0
114.62809753417969	148.0
114.7687759399414	184.0
114.79222869873047	364.0
114.93515014648438	200.0
115.0604019165039	180.0
115.10163879394531	144.0
115.25115966796875	144.0
115.30671691894531	172.0
115.36280822753906	200.0
115.48631286621094	156.0
115.68531036376953	144.0
115.73539733886719	152.0
115.75941467285156	144.0
115.85877227783203	176.0
116.1932144165039	172.0
116.46154022216797	184.0
116.52598571777344	188.0
116.69147491455078	188.0
116.93024444580078	144.0
117.32442474365234	152.0
117.52764892578125	140.0
117.6393814086914	196.0
117.66217803955078	188.0
117.86399841308594	164.0
117.93318939208984	228.0
118.40047454833984	208.0
118.578125	188.0
118.6029281616211	216.0
118.90995025634766	200.0
119.18574523925781	160.0
119.36615753173828	260.0
119.62287902832031	248.0
120.0172119140625	164.0
120.15998840332031	208.0
120.17642974853516	228.0
120.20697784423828	168.0
120.35541534423828	140.0
120.42529296875	196.0
120.68534088134766	144.0
121.04637908935547	200.0
121.19751739501953	140.0
121.3027114868164	176.0
121.33340454101562	148.0
121.62734985351562	184.0
121.6888198852539	260.0
121.80741119384766	244.0
121.95308685302734	216.0
122.11072540283203	148.0
122.17012023925781	164.0
122.20531463623047	188.0
122.49150848388672	152.0
122.53777313232422	168.0
122.61489868164062	148.0
122.85082244873047	196.0
123.24601745605469	160.0
123.2813720703125	156.0
123.77909088134766	164.0
123.95186614990234	168.0
124.07154846191406	188.0
124.28446960449219	152.0
124.35103607177734	200.0
124.47521209716797	120.0
124.61306762695312	172.0
125.21144104003906	164.0
125.34558868408203	128.0
125.54898071289062	148.0
125.66522979736328	160.0
125.78811645507812	100.0
125.89385223388672	140.0
126.0189437866211	152.0
126.32746124267578	212.0
126.4527587890625	156.0
126.50200653076172	328.0
126.69458770751953	148.0
126.7371597290039	164.0
126.77749633789062	240.0
127.23506164550781	144.0
127.81718444824219	176.0
127.84418487548828	248.0
128.05355834960938	144.0
128.73011779785156	204.0
129.03736877441406	152.0
129.09619140625	208.0
129.12559509277344	188.0
129.1617889404297	152.0
129.19798278808594	196.0
129.31338500976562	160.0
129.40846252441406	152.0
129.89796447753906	160.0
130.05226135253906	180.0
130.10372924804688	208.0
130.30738830566406	172.0
130.48350524902344	152.0
130.5077667236328	204.0
130.53736877441406	196.0
130.63314819335938	168.0
130.99838256835938	136.0
131.2018280029297	120.0
131.35606384277344	180.0
131.607177734375	128.0
132.03900146484375	172.0
132.0680694580078	288.0
132.2105712890625	124.0
132.27008056640625	148.0
132.4005889892578	176.0
132.8521270751953	144.0
132.95997619628906	188.0
133.46763610839844	156.0
133.8542022705078	164.0
134.28285217285156	152.0
134.32264709472656	172.0
134.38665771484375	160.0
134.4789581298828	160.0
134.52281188964844	172.0
134.7560577392578	148.0
134.7976531982422	152.0
134.88291931152344	224.0
135.4222869873047	216.0
135.58677673339844	164.0
135.8568115234375	224.0
136.0321044921875	144.0
136.05764770507812	160.0
136.30694580078125	212.0
136.43630981445312	160.0
136.54095458984375	188.0
136.69448852539062	172.0
136.95289611816406	152.0
137.12997436523438	188.0
137.1765899658203	160.0
137.20223999023438	156.0
137.2232208251953	192.0
137.3083953857422	164.0
137.68057250976562	140.0
137.79637145996094	124.0
137.88848876953125	188.0
137.98199462890625	160.0
138.03109741210938	196.0
138.13165283203125	172.0
138.58456420898438	192.0
138.84133911132812	264.0
138.99147033691406	156.0
139.0543975830078	132.0
139.12576293945312	144.0
139.28257751464844	176.0
139.59515380859375	176.0
139.78892517089844	160.0
139.85394287109375	140.0
140.00697326660156	152.0
140.06350708007812	144.0
140.25619506835938	108.0
140.2920684814453	196.0
140.39581298828125	164.0
140.4359130859375	220.0
140.7663116455078	148.0
140.94583129882812	192.0
140.99072265625	160.0
141.0167236328125	212.0
141.0692138671875	1408.0
141.28155517578125	232.0
141.6366424560547	140.0
141.65321350097656	172.0
141.73851013183594	168.0
141.7706756591797	188.0
141.94235229492188	144.0
142.0732879638672	480.0
142.36236572265625	196.0
142.42649841308594	228.0
142.71897888183594	188.0
142.99713134765625	144.0
143.0804443359375	244.0
143.44491577148438	152.0
143.77999877929688	196.0
144.1537628173828	156.0
144.33543395996094	156.0
144.6201171875	172.0
144.78770446777344	152.0
144.8523712158203	188.0
145.34625244140625	140.0
145.93470764160156	176.0
146.20652770996094	252.0
146.25225830078125	208.0
146.2787322998047	152.0
146.4127655029297	204.0
146.50991821289062	176.0
146.55569458007812	184.0
146.58941650390625	168.0
146.61593627929688	144.0
146.6999969482422	164.0
146.7733612060547	156.0
146.8845977783203	204.0
146.97039794921875	244.0
147.45578002929688	244.0
147.6395263671875	192.0
147.6733856201172	168.0
147.6903076171875	148.0
147.8790283203125	140.0
147.94439697265625	164.0
148.22776794433594	244.0
148.26654052734375	204.0
148.3077392578125	148.0
148.32955932617188	180.0
148.3998565673828	176.0
148.45562744140625	168.0
148.60116577148438	192.0
148.69094848632812	172.0
148.78074645996094	164.0
148.90945434570312	232.0
149.17982482910156	160.0
149.24237060546875	152.0
149.3201904296875	164.0
149.3639678955078	288.0
149.42477416992188	152.0
149.80455017089844	144.0
149.83082580566406	316.0
149.95806884765625	184.0
150.3629150390625	140.0
150.4303741455078	164.0
150.46299743652344	188.0
150.69529724121094	208.0
150.78298950195312	148.0
151.00546264648438	180.0
151.22320556640625	140.0
151.41168212890625	212.0
151.51705932617188	216.0
151.59402465820312	204.0
151.8421173095703	124.0
151.94854736328125	192.0
151.96817016601562	160.0
152.06552124023438	128.0
152.17056274414062	184.0
152.3167724609375	148.0
152.69036865234375	160.0
152.77398681640625	176.0
153.02389526367188	176.0
153.07229614257812	100.0
153.17361450195312	164.0
153.74725341796875	140.0
153.76698303222656	140.0
153.93980407714844	236.0
154.0344696044922	192.0
154.1571807861328	164.0
154.32774353027344	140.0
154.76072692871094	172.0
154.81520080566406	168.0
154.88455200195312	208.0
155.0511932373047	172.0
155.1422576904297	148.0
155.33071899414062	240.0
155.36285400390625	172.0
155.4076385498047	188.0
155.69557189941406	216.0
155.82225036621094	168.0
155.91915893554688	204.0
156.20359802246094	160.0
156.46888732910156	160.0
156.52365112304688	272.0
156.5908966064453	160.0
156.65525817871094	172.0
156.70797729492188	144.0
156.8475341796875	228.0
157.24659729003906	168.0
157.3090057373047	140.0
157.52874755859375	140.0
158.08030700683594	416.0
158.14385986328125	248.0
158.19642639160156	144.0
158.2615203857422	188.0
158.3115997314453	140.0
158.40927124023438	176.0
158.56712341308594	140.0
159.04367065429688	152.0
159.07379150390625	172.0
159.19178771972656	200.0
159.31234741210938	148.0
159.3927459716797	152.0
159.41033935546875	196.0
159.4279327392578	196.0
159.8755645751953	152.0
159.9498291015625	168.0
160.44480895996094	180.0
160.6919708251953	164.0
160.8635711669922	148.0
160.9191131591797	160.0
161.00076293945312	192.0
161.1666259765625	184.0
161.78627014160156	192.0
161.8318328857422	172.0
161.86727905273438	192.0
161.9303436279297	160.0
162.31898498535156	156.0
162.4984130859375	160.0
162.53646850585938	204.0
163.052978515625	652.0
163.40032958984375	156.0
163.5113067626953	124.0
163.5682830810547	160.0
163.59315490722656	184.0
163.64212036132812	272.0
163.7821807861328	140.0
163.9809112548828	168.0
164.0157470703125	144.0
164.06170654296875	508.0
164.2588348388672	140.0
164.54437255859375	188.0
164.61358642578125	140.0
164.64840698242188	176.0
164.88031005859375	156.0
164.92221069335938	164.0
164.9598388671875	244.0
164.98602294921875	156.0
165.03811645507812	172.0
165.07093811035156	72648.0
165.13807678222656	148.0
165.19351196289062	156.0
165.24237060546875	116.0
165.37442016601562	176.0
165.50599670410156	140.0
165.62750244140625	152.0
165.7211456298828	256.0
165.7698211669922	140.0
165.81338500976562	204.0
165.8860626220703	96.0
165.90640258789062	124.0
165.971435546875	196.0
166.0159149169922	240.0
166.07887268066406	155928.0
166.19149780273438	172.0
166.21763610839844	208.0
166.26614379882812	208.0
166.29103088378906	136.0
166.3182830810547	128.0
166.4041290283203	148.0
166.49891662597656	200.0
166.52810668945312	104.0
166.86978149414062	156.0
166.9658660888672	128.0
166.98529052734375	176.0
167.08221435546875	18596.0
167.1525115966797	156.0
167.23178100585938	184.0
167.2538299560547	136.0
167.2789764404297	160.0
167.30474853515625	164.0
167.38555908203125	156.0
167.40443420410156	256.0
167.46478271484375	116.0
167.53228759765625	120.0
167.7417755126953	184.0
167.7942352294922	124.0
167.826171875	148.0
167.97279357910156	152.0
168.0265350341797	192.0
168.05686950683594	672.0
168.08645629882812	832.0
168.1641082763672	164.0
168.1869354248047	128.0
168.21437072753906	108.0
168.23159790039062	436.0
168.26690673828125	112.0
168.29452514648438	100.0
168.35134887695312	128.0
168.40615844726562	112.0
168.47174072265625	148.0
168.56956481933594	160.0
168.68223571777344	128.0
169.0643310546875	676.0
169.0881805419922	272.0
169.1851348876953	160.0
169.21360778808594	152.0
169.38479614257812	116.0
169.42430114746094	160.0
169.46484375	140.0
169.54257202148438	220.0
169.69810485839844	148.0
169.79112243652344	192.0
170.0249481201172	180.0
170.3910675048828	152.0
170.8001708984375	180.0
171.07762145996094	140.0
171.1155548095703	336.0
171.24757385253906	164.0
172.52023315429688	180.0
172.55421447753906	148.0
172.5908203125	152.0
172.62481689453125	244.0
172.8916473388672	248.0
172.91258239746094	160.0
172.9466094970703	156.0
173.13511657714844	144.0
173.4232940673828	180.0
173.79043579101562	160.0
174.09230041503906	192.0
174.51548767089844	236.0
174.6231689453125	244.0
174.7047119140625	148.0
174.8941650390625	184.0
175.0411376953125	204.0
175.2220916748047	152.0
175.2581787109375	212.0
175.7360382080078	164.0
176.21533203125	156.0
176.2523193359375	148.0
176.31045532226562	160.0
176.68899536132812	224.0
176.85533142089844	204.0
176.9608612060547	152.0
177.103515625	112.0
177.46572875976562	104.0
178.4799346923828	196.0
179.01368713378906	168.0
179.6053466796875	180.0
179.79476928710938	140.0
179.83213806152344	148.0
179.86416625976562	172.0
180.0642852783203	156.0
180.33692932128906	180.0
180.67919921875	176.0
180.8022918701172	176.0
180.887939453125	220.0
181.0603485107422	308.0
181.1602020263672	196.0
182.1024932861328	136.0
182.28793334960938	164.0
182.80416870117188	224.0
182.9199676513672	144.0
182.94956970214844	188.0
182.98995971679688	164.0
183.07965087890625	3560.0
183.46807861328125	180.0
183.49107360839844	148.0
183.50994873046875	172.0
183.63668823242188	180.0
183.7176055908203	200.0
183.77696228027344	236.0
183.85791015625	160.0
184.08642578125	476.0
184.40615844726562	200.0
184.64137268066406	148.0
184.6630096435547	180.0
184.71604919433594	124.0
185.08245849609375	168.0
186.02320861816406	140.0
186.3355255126953	216.0
187.10870361328125	11556.0
187.27944946289062	176.0
187.3584442138672	156.0
187.86277770996094	120.0
188.1109161376953	1260.0
188.2709197998047	112.0
188.3787078857422	308.0
188.433349609375	156.0
188.58364868164062	220.0
188.63121032714844	120.0
188.91880798339844	132.0
189.1151580810547	144.0
189.4654998779297	188.0
189.52777099609375	148.0
189.9144744873047	172.0
190.12640380859375	180.0
190.7572784423828	152.0
191.16983032226562	216.0
191.22210693359375	164.0
191.34873962402344	160.0
192.0238494873047	156.0
192.13917541503906	228.0
192.3936004638672	152.0
192.74307250976562	124.0
192.9461212158203	164.0
193.0773162841797	9064.0
193.64065551757812	156.0
193.86143493652344	144.0
194.0341339111328	152.0
194.07937622070312	1456.0
194.12840270996094	176.0
194.26153564453125	172.0
194.33921813964844	200.0
194.3725128173828	152.0
194.44467163085938	176.0
194.5084991455078	212.0
194.6712188720703	152.0
195.0843505859375	180.0
195.49514770507812	152.0
195.7220916748047	152.0
196.04812622070312	424.0
196.149658203125	176.0
196.4842987060547	180.0
197.0607452392578	268.0
197.09854125976562	160.0
197.3612823486328	152.0
197.49124145507812	148.0
197.8284912109375	144.0
198.0301055908203	140.0
198.08157348632812	180.0
198.28225708007812	164.0
198.34951782226562	140.0
198.56541442871094	212.0
198.87403869628906	152.0
199.03224182128906	1948.0
199.15199279785156	192.0
199.60400390625	148.0
199.62136840820312	144.0
199.6578826904297	144.0
199.85479736328125	172.0
199.88034057617188	208.0
199.96897888183594	152.0
200.0352020263672	600.0
200.1100311279297	164.0
200.15731811523438	140.0
200.2472381591797	156.0
200.27879333496094	112.0
200.32444763183594	200.0
200.37411499023438	220.0
200.41094970703125	144.0
200.4678497314453	200.0
200.49331665039062	300.0
200.49913024902344	176.0
200.53562927246094	208.0
200.5793914794922	240.0
200.60333251953125	180.0
200.6303253173828	132.0
200.6640167236328	212.0
200.70042419433594	244.0
200.73919677734375	292.0
200.76730346679688	284.0
200.8318634033203	176.0
200.8743896484375	144.0
200.94595336914062	212.0
201.048828125	408716.0
201.14971923828125	288.0
201.19068908691406	256.0
201.236572265625	352.0
201.2577362060547	456.0
201.29656982421875	192.0
201.33160400390625	212.0
201.3713836669922	408.0
201.40892028808594	196.0
201.46229553222656	140.0
201.4826202392578	416.0
201.51161193847656	7148.0
201.5573272705078	208.0
201.5980682373047	168.0
201.62474060058594	204.0
201.72451782226562	144.0
201.7518768310547	196.0
201.7792510986328	200.0
201.80911254882812	188.0
201.86903381347656	400.0
201.9102020263672	100.0
201.97323608398438	264.0
201.99395751953125	196.0
202.00454711914062	188.0
202.05081176757812	86888.0
202.15823364257812	224.0
202.21217346191406	288.0
202.23992919921875	288.0
202.2660675048828	156.0
202.30267333984375	136.0
202.3293914794922	100.0
202.3627471923828	176.0
202.44497680664062	252.0
202.5039520263672	276.0
202.52748107910156	236.0
202.62547302246094	120.0
202.64834594726562	148.0
202.67611694335938	100.0
202.6961212158203	136.0
202.74630737304688	296.0
202.79953002929688	120.0
202.84478759765625	220.0
202.8749542236328	284.0
202.90264892578125	148.0
202.9323272705078	208.0
202.9686279296875	348.0
203.04518127441406	191028.0
203.13980102539062	108.0
203.15518188476562	260.0
203.26177978515625	176.0
203.30628967285156	544.0
203.358642578125	176.0
203.3819580078125	296.0
203.41183471679688	336.0
203.42999267578125	212.0
203.47335815429688	216.0
203.49172973632812	304.0
203.5364227294922	320.0
203.57821655273438	248.0
203.60484313964844	216.0
203.64593505859375	412.0
203.69979858398438	388.0
203.73377990722656	236.0
203.76043701171875	140.0
203.83790588378906	148.0
203.9166717529297	156.0
203.94973754882812	200.0
204.04794311523438	17972.0
204.11624145507812	120.0
204.16278076171875	128.0
204.2876434326172	148.0
204.57598876953125	96.0
204.64292907714844	124.0
204.6820831298828	252.0
205.0189971923828	148.0
205.0516815185547	332.0
205.1188201904297	144.0
205.28439331054688	256.0
205.39048767089844	144.0
205.47911071777344	128.0
205.50538635253906	144.0
205.5501708984375	292.0
205.63833618164062	176.0
205.69699096679688	348.0
205.73179626464844	112.0
206.59194946289062	136.0
206.74148559570312	260.0
209.31544494628906	152.0
209.99502563476562	100.0
211.06820678710938	112.0
211.3257293701172	140.0
211.3633575439453	348.0
211.7325439453125	104.0
213.08851623535156	176.0
213.39659118652344	160.0
214.74484252929688	148.0
214.94009399414062	116.0
216.70339965820312	140.0
219.0153350830078	156.0
219.64198303222656	100.0
222.36227416992188	192.0
226.04867553710938	140.0
226.68350219726562	164.0
232.7860870361328	164.0
237.42771911621094	164.0
239.04664611816406	148.0
240.6865234375	208.0
243.87118530273438	188.0
244.6643829345703	140.0
244.75779724121094	144.0
251.44760131835938	144.0
253.19906616210938	180.0
256.7330017089844	140.0
257.62030029296875	144.0
260.13409423828125	164.0
264.3853759765625	148.0
269.1117248535156	164.0
270.6189880371094	144.0
274.5588684082031	148.0
276.46173095703125	148.0
278.7830505371094	204.0
279.7547912597656	128.0
281.8988342285156	172.0
289.3898010253906	140.0
295.1912841796875	156.0
295.5196533203125	168.0
297.07159423828125	192.0
300.4912109375	164.0
303.7083435058594	176.0
305.1754150390625	228.0
309.50384521484375	156.0
312.3218994140625	168.0
320.77423095703125	204.0
321.55535888671875	192.0
323.63226318359375	140.0
323.71820068359375	168.0
325.54705810546875	140.0
325.7640686035156	152.0
327.1794128417969	156.0
328.6462707519531	152.0
331.6224365234375	160.0
336.4385070800781	144.0
338.130859375	184.0
339.87200927734375	176.0
341.4768371582031	140.0
344.68035888671875	212.0
345.0633239746094	124.0
352.7004089355469	232.0
353.1865539550781	644.0
353.53070068359375	196.0
354.0404357910156	100.0
354.1878356933594	160.0
362.2052917480469	188.0
369.0322570800781	100.0
370.19195556640625	200.0
372.5507507324219	152.0
377.0357360839844	200.0
377.1593933105469	164.0
377.70074462890625	148.0
380.3122863769531	144.0
380.5335388183594	164.0
380.7805480957031	136.0
382.5668029785156	244.0
386.0431823730469	140.0
386.1705017089844	208.0
387.6195373535156	172.0
387.6629333496094	124.0
387.91796875	128.0
388.1430969238281	312.0
388.56549072265625	108.0
388.6107177734375	172.0
388.70849609375	108.0
388.7567138671875	184.0
388.8059387207031	168.0
388.8677978515625	144.0
388.9107360839844	336.0
389.05902099609375	140.0
389.1644592285156	120344.0
389.2672119140625	172.0
389.555908203125	204.0
389.6313171386719	112.0
389.6599426269531	144.0
389.69317626953125	172.0
389.75238037109375	136.0
389.8096618652344	160.0
389.857177734375	108.0
389.9044494628906	108.0
390.0581970214844	156.0
390.1673583984375	18904.0
390.2374267578125	256.0
390.26763916015625	148.0
390.6539001464844	128.0
390.7138977050781	176.0
390.781494140625	216.0
390.9839172363281	216.0
391.0284118652344	124.0
391.090087890625	256.0
391.16143798828125	30856.0
391.25335693359375	116.0
391.4044189453125	212.0
391.4484558105469	104.0
391.51025390625	132.0
391.5705871582031	96.0
391.67364501953125	188.0
391.7864990234375	256.0
391.8564453125	108.0
392.1630859375	5972.0
392.27398681640625	152.0
392.33685302734375	156.0
392.42095947265625	204.0
392.4824523925781	244.0
392.5226135253906	116.0
392.7261657714844	168.0
392.74017333984375	192.0
392.75360107421875	248.0
392.91998291015625	96.0
393.1268615722656	172.0
393.1642150878906	228.0
393.3426208496094	144.0
393.4009704589844	132.0
393.65496826171875	140.0
393.78436279296875	156.0
394.6111755371094	160.0
394.7124328613281	128.0
394.84490966796875	140.0
395.1314697265625	108.0
452.085205078125	144.0
495.7582702636719	100.0
903.3953857421875	140.0
1007.2073974609375	140.0
1051.7593994140625	232.0
1089.8736572265625	104.0
1254.128173828125	172.0
1290.9970703125	156.0
1307.2344970703125	124.0
1340.45458984375	212.0
1353.33935546875	188.0
1371.4920654296875	152.0
1425.277587890625	172.0
1442.70263671875	176.0
1444.6007080078125	164.0
1453.806396484375	160.0
1457.306884765625	160.0
1459.29052734375	164.0
1467.4066162109375	164.0
1468.4132080078125	168.0
1476.921630859375	172.0
1489.1466064453125	180.0
1504.9407958984375	164.0
1506.948974609375	196.0
1507.8607177734375	180.0
1530.5357666015625	156.0
1534.6497802734375	196.0
1535.6478271484375	164.0
1542.55810546875	192.0
1542.870849609375	176.0
1555.7890625	184.0
1557.988037109375	248.0
1564.8143310546875	148.0
1567.3741455078125	228.0
1585.9140625	176.0
1606.7481689453125	168.0
1618.47314453125	140.0
1621.7335205078125	152.0
1628.2081298828125	152.0
1629.316650390625	172.0
1629.5576171875	244.0
1632.266357421875	160.0
1641.9298095703125	200.0
1645.6416015625	196.0
1647.5799560546875	172.0
1648.783935546875	160.0
1650.7645263671875	148.0
1662.664794921875	156.0
1670.1719970703125	196.0
1674.6893310546875	184.0
1682.0848388671875	156.0
1682.3868408203125	188.0
1687.2967529296875	188.0
1687.656494140625	168.0
1695.818115234375	192.0
1704.8128662109375	156.0
1710.9405517578125	148.0
1716.2381591796875	160.0
1726.155029296875	168.0
1729.675537109375	200.0
1740.5731201171875	176.0
1742.225830078125	156.0
1744.7772216796875	160.0
1746.140869140625	188.0
1747.3555908203125	156.0
1747.5799560546875	148.0
1753.4930419921875	132.0
1759.84033203125	216.0
1768.8524169921875	216.0
1772.23583984375	152.0
1773.77783203125	180.0
1774.18017578125	140.0
1777.4847412109375	144.0
1778.34912109375	160.0
1781.5567626953125	192.0
1782.7078857421875	204.0
1784.64111328125	156.0
1787.6861572265625	144.0
1789.706298828125	152.0
1799.7568359375	152.0
1800.111572265625	184.0
1806.1204833984375	184.0
1810.0980224609375	188.0
1810.801025390625	200.0
1812.859619140625	160.0
1813.9190673828125	212.0
1818.2362060546875	140.0
1819.645263671875	192.0
1821.530517578125	144.0
1822.62646484375	168.0
1826.1968994140625	264.0
1828.306884765625	144.0
1835.249267578125	212.0
1837.3729248046875	164.0
1837.782470703125	172.0
1838.7979736328125	160.0
1839.3536376953125	140.0
1840.00146484375	168.0
1844.3837890625	172.0
1846.3074951171875	176.0
1846.7607421875	148.0
1854.24365234375	152.0
1857.2958984375	176.0
1866.0379638671875	148.0
1871.561767578125	148.0
1878.568359375	148.0
1884.680908203125	156.0
1885.7696533203125	180.0
1886.7291259765625	152.0
1894.6650390625	172.0
1894.96826171875	164.0
1897.7156982421875	236.0
1898.5828857421875	204.0
1898.9644775390625	140.0
1899.1414794921875	248.0
1900.3350830078125	176.0
1901.0726318359375	252.0
1905.7615966796875	160.0
1906.69140625	144.0
1908.0560302734375	176.0
1919.53173828125	184.0
1925.09033203125	172.0
1927.0643310546875	164.0
1929.5814208984375	156.0
1929.9661865234375	140.0
1933.4039306640625	148.0
1939.1490478515625	160.0
1939.673095703125	148.0
1942.9107666015625	236.0
1944.349853515625	228.0
1944.83251953125	152.0
1947.3348388671875	188.0
1948.1605224609375	148.0
1949.4080810546875	180.0
1949.7684326171875	200.0
1953.7427978515625	168.0
1954.15625	200.0
1955.194580078125	180.0
1955.520263671875	148.0
1958.1702880859375	144.0
1960.4697265625	144.0
1960.9984130859375	144.0
1964.215087890625	164.0
1970.210693359375	156.0
1971.376953125	156.0
1976.0367431640625	164.0
1982.24365234375	160.0
1983.803466796875	180.0
1984.0517578125	204.0
1985.505859375	156.0
1998.8131103515625	152.0
2000.1837158203125	196.0
2001.36767578125	156.0
2001.7149658203125	176.0
2001.803955078125	144.0
2002.801513671875	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079139
PEPMASS=442.152222
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=32.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_G2_H11_BD7_01_15731.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=DOFETILIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(CCOc1ccc(NS(=O)(=O)C)cc1)CCc2ccc(NS(=O)(=O)C)cc2
INCHI=InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3
INCHIAUX=IXTMWRCNAAVVAI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079139
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079139
SCANS=1024
45.4664421081543	156.0
49.27664566040039	164.0
52.28885269165039	184.0
53.03556823730469	156.0
53.19948196411133	248.0
54.49932861328125	192.0
56.002376556396484	172.0
56.99272155761719	176.0
61.44587707519531	192.0
61.54732894897461	152.0
63.287086486816406	172.0
68.95433807373047	220.0
71.27410888671875	168.0
80.71687316894531	228.0
80.81524658203125	148.0
84.73165893554688	144.0
85.80126953125	192.0
85.86212158203125	212.0
91.05652618408203	520.0
91.5106201171875	204.0
92.95757293701172	168.0
95.72189331054688	140.0
97.3920669555664	164.0
98.30359649658203	160.0
103.0546875	152.0
106.06206512451172	144.0
107.07386779785156	724.0
107.91277313232422	256.0
108.07203674316406	176.0
108.25625610351562	148.0
109.90673065185547	172.0
110.575439453125	140.0
116.05171966552734	144.0
116.39287567138672	188.0
117.05379486083984	140.0
118.06568145751953	1756.0
119.0732421875	4324.0
119.09890747070312	180.0
120.0810775756836	3172.0
121.08101654052734	484.0
121.89534759521484	140.0
128.99903869628906	212.0
130.0636749267578	148.0
130.78421020507812	152.0
131.970458984375	172.0
133.09088134765625	140.0
133.24017333984375	140.0
134.05812072753906	276.0
134.09796142578125	524.0
135.07603454589844	308.0
136.07272338867188	184.0
136.68292236328125	176.0
137.08006286621094	172.0
137.49853515625	160.0
137.98440551757812	156.0
139.33197021484375	152.0
156.0126495361328	132.0
156.08828735351562	152.0
156.72300720214844	156.0
160.85861206054688	148.0
162.1130828857422	148.0
162.88436889648438	152.0
163.2579803466797	144.0
164.9636993408203	152.0
168.05581665039062	156.0
170.7368621826172	148.0
172.45269775390625	152.0
172.9231414794922	152.0
174.13966369628906	180.0
174.42605590820312	148.0
175.1202850341797	176.0
176.13226318359375	632.0
176.9241943359375	168.0
177.0986785888672	152.0
177.1409912109375	336.0
177.60256958007812	176.0
179.11746215820312	1608.0
180.1180419921875	528.0
184.0447235107422	208.0
185.0507049560547	336.0
186.07217407226562	144.0
187.0304718017578	164.0
191.69589233398438	164.0
196.26405334472656	208.0
196.8025665283203	144.0
197.05250549316406	424.0
197.07907104492188	152.0
197.6690673828125	168.0
198.05923461914062	38284.0
198.217041015625	144.0
198.25344848632812	164.0
198.31690979003906	144.0
199.0615234375	4644.0
199.45555114746094	160.0
200.0537109375	1472.0
200.3583984375	124.0
200.56346130371094	100.0
200.6509552001953	132.0
200.96836853027344	128.0
201.05096435546875	204.0
208.74716186523438	184.0
214.05201721191406	252.0
223.2417449951172	152.0
229.1011505126953	176.0
230.4508514404297	164.0
233.2054443359375	160.0
234.66053771972656	200.0
236.23025512695312	152.0
238.8683319091797	140.0
240.10340881347656	144.0
241.0999755859375	232.0
242.09671020507812	148.0
242.91184997558594	164.0
245.0932159423828	916.0
251.7539520263672	152.0
253.12953186035156	160.0
253.8583526611328	144.0
255.11605834960938	3128.0
256.1144104003906	652.0
257.0972900390625	900.0
257.17340087890625	148.0
258.0942687988281	232.0
259.0900573730469	132.0
262.8763732910156	152.0
263.115234375	164.0
263.73638916015625	192.0
276.3394470214844	148.0
279.0125427246094	148.0
281.144287109375	144.0
283.8840637207031	144.0
294.5728454589844	156.0
296.4991455078125	288.0
297.1883850097656	156.0
300.4671936035156	164.0
306.3468017578125	200.0
313.59661865234375	152.0
318.1277770996094	148.0
323.8616027832031	176.0
326.03936767578125	240.0
326.0824890136719	144.0
326.9438171386719	104.0
327.1795959472656	148.0
327.23687744140625	144.0
328.4841003417969	252.0
329.1914978027344	140.0
331.94525146484375	148.0
334.39013671875	144.0
339.7029113769531	168.0
339.85699462890625	140.0
341.7308044433594	228.0
348.13458251953125	308.0
356.9707946777344	168.0
357.07611083984375	148.0
361.8495178222656	152.0
363.1687316894531	520.0
363.2175598144531	212.0
364.16357421875	116.0
366.2126770019531	148.0
368.600830078125	188.0
387.33489990234375	172.0
389.38623046875	180.0
395.94091796875	148.0
400.55218505859375	156.0
402.67010498046875	156.0
403.0735778808594	152.0
405.1981506347656	144.0
407.0752868652344	140.0
410.1247863769531	164.0
414.708251953125	144.0
416.95263671875	180.0
419.2275390625	164.0
419.91241455078125	156.0
421.1531677246094	144.0
424.1687927246094	156.0
433.64898681640625	180.0
434.9679870605469	144.0
435.5950012207031	160.0
436.4968566894531	184.0
437.6731872558594	148.0
438.1158752441406	152.0
438.91192626953125	144.0
439.2305603027344	120.0
439.6740417480469	144.0
440.0635070800781	172.0
440.2422790527344	128.0
440.3634948730469	156.0
441.2322692871094	212.0
441.316650390625	112.0
441.6456298828125	108.0
441.7023010253906	140.0
441.8349304199219	244.0
441.9120178222656	136.0
441.96319580078125	164.0
442.0067138671875	172.0
442.0797119140625	328.0
442.1492614746094	131008.0
442.24786376953125	200.0
442.2958679199219	192.0
442.33355712890625	168.0
442.3738098144531	160.0
442.4423828125	176.0
442.5705871582031	156.0
442.6117248535156	152.0
442.7379455566406	156.0
442.83642578125	460.0
442.94488525390625	148.0
443.15008544921875	25336.0
443.2428894042969	448.0
443.3441162109375	96.0
443.5170593261719	160.0
443.5646667480469	104.0
443.6103820800781	108.0
443.72052001953125	156.0
444.0094909667969	152.0
444.0561828613281	148.0
444.14691162109375	13520.0
444.7579345703125	132.0
445.1480407714844	1588.0
445.24578857421875	96.0
445.325927734375	140.0
445.3808898925781	104.0
445.6745300292969	148.0
445.7386779785156	100.0
445.7776794433594	140.0
446.1119689941406	120.0
446.1522521972656	316.0
446.2962341308594	104.0
446.32330322265625	260.0
446.4386291503906	112.0
447.6053771972656	132.0
447.9154968261719	156.0
458.6812744140625	152.0
463.3285217285156	120.0
507.0543518066406	148.0
611.91064453125	152.0
708.52001953125	148.0
992.8515625	164.0
1299.1126708984375	152.0
1338.2991943359375	160.0
1385.4439697265625	176.0
1494.590087890625	148.0
1614.4808349609375	156.0
1616.4327392578125	188.0
1715.8680419921875	188.0
1737.0799560546875	188.0
1749.01220703125	148.0
1776.2691650390625	164.0
1830.98095703125	228.0
1869.849609375	160.0
1871.278564453125	156.0
1920.0733642578125	256.0
1945.851806640625	176.0
1971.422119140625	212.0
1983.804443359375	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079140
PEPMASS=231.002563
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_G2_H11_BD7_01_15731.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="7-chloro-3-methyl-4H-1$l^{6},2,4-benzothiadiazine 1,1-dioxide" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC1=NS(=O)(=O)c2cc(Cl)ccc2N1
INCHI=InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
INCHIAUX=GDLBFKVLRPITMI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079140
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079140
SCANS=1113
47.559329986572266	168.0
49.15647506713867	148.0
51.922401428222656	208.0
58.63301467895508	164.0
63.62238311767578	188.0
72.86219024658203	152.0
74.42669677734375	224.0
75.1961898803711	184.0
85.22688293457031	212.0
87.1633529663086	172.0
88.24629211425781	156.0
89.01451873779297	140.0
90.03335571289062	164.0
96.43964385986328	184.0
97.05826568603516	200.0
99.00066375732422	908.0
99.15377807617188	208.0
99.99365234375	180.0
100.60780334472656	152.0
100.99563598632812	304.0
104.05250549316406	252.0
105.93482971191406	184.0
107.4458236694336	164.0
108.00149536132812	152.0
111.99243927001953	180.0
113.00457763671875	96.0
114.01072692871094	2000.0
116.00869750976562	260.0
117.01318359375	104.0
123.9206771850586	140.0
124.99978637695312	140.0
125.80661010742188	172.0
126.01042175292969	6156.0
127.01359558105469	176.0
128.00860595703125	1728.0
129.0138702392578	136.0
130.3882293701172	188.0
134.0267791748047	188.0
135.0009002685547	148.0
135.90892028808594	160.0
139.9912567138672	404.0
140.99757385253906	156.0
142.00563049316406	3572.0
142.08447265625	204.0
143.0052947998047	224.0
144.0037078857422	1216.0
144.5433349609375	176.0
145.0031280517578	164.0
145.29327392578125	184.0
148.94810485839844	172.0
156.90216064453125	176.0
165.01963806152344	176.0
166.0259552001953	164.0
168.02713012695312	184.0
169.02444458007812	176.0
171.06698608398438	184.0
171.13726806640625	204.0
177.01654052734375	144.0
189.971435546875	2220.0
191.96932983398438	436.0
192.97145080566406	376.0
200.37257385253906	180.0
207.98291015625	1320.0
209.01141357421875	188.0
209.97955322265625	276.0
213.20736694335938	196.0
218.95025634765625	176.0
222.3263702392578	184.0
227.12391662597656	164.0
229.0807647705078	152.0
229.10667419433594	160.0
229.18019104003906	168.0
229.2253875732422	156.0
230.72193908691406	176.0
230.83428955078125	168.0
230.9990997314453	20548.0
232.0028533935547	1692.0
232.9966278076172	4820.0
233.4330291748047	140.0
233.9958953857422	340.0
1164.29443359375	264.0
1417.0523681640625	176.0
1567.6951904296875	164.0
1614.5499267578125	144.0
1646.689208984375	148.0
1852.0050048828125	156.0
1854.5325927734375	220.0
1926.345458984375	196.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079141
PEPMASS=384.179199
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_G2_H11_BD7_01_15731.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=QUETIAPINE HEMIFUMARATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24
INCHI=InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
INCHIAUX=URKOMYMAXPYINW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079141
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079141
SCANS=1090
46.111507415771484	160.0
48.260581970214844	220.0
48.47929000854492	176.0
50.55619812011719	188.0
52.15073013305664	196.0
53.152992248535156	176.0
54.472835540771484	140.0
54.649253845214844	216.0
55.59347915649414	208.0
55.77615737915039	152.0
56.1588249206543	152.0
57.73734664916992	220.0
58.43359375	196.0
58.56146240234375	176.0
58.853660583496094	184.0
59.59098434448242	184.0
62.76017761230469	144.0
64.97900390625	232.0
67.02437591552734	172.0
67.94815826416016	156.0
69.1461181640625	140.0
70.30113983154297	148.0
70.80601501464844	148.0
73.4905014038086	156.0
74.46454620361328	148.0
76.28055572509766	184.0
77.61088562011719	140.0
77.62491607666016	244.0
80.80980682373047	184.0
80.8778076171875	192.0
82.47144317626953	156.0
82.97830963134766	188.0
83.71055603027344	180.0
84.19380950927734	156.0
85.17552185058594	168.0
86.61984252929688	152.0
86.6346664428711	152.0
88.79503631591797	208.0
89.04840087890625	168.0
89.83142852783203	200.0
90.6046142578125	180.0
91.57909393310547	148.0
93.46477508544922	192.0
93.74976348876953	152.0
95.73153686523438	164.0
96.46123504638672	164.0
96.64506530761719	184.0
96.69203186035156	188.0
98.03926086425781	168.0
98.14767456054688	160.0
99.05281829833984	160.0
99.36802673339844	164.0
99.7393798828125	228.0
100.42431640625	196.0
100.60989379882812	144.0
100.92156219482422	188.0
101.88156127929688	208.0
101.96796417236328	256.0
103.09654235839844	208.0
104.0302734375	172.0
104.3187255859375	196.0
104.91722869873047	204.0
110.35151672363281	144.0
110.65907287597656	216.0
111.01947784423828	160.0
111.09498596191406	180.0
111.36366271972656	164.0
112.01150512695312	160.0
112.17375946044922	140.0
113.6753921508789	160.0
116.52378845214844	144.0
116.97539520263672	168.0
117.22522735595703	144.0
119.08358764648438	144.0
119.2965316772461	212.0
119.37262725830078	164.0
126.07028198242188	168.0
126.55792236328125	156.0
126.59598541259766	192.0
126.88951110839844	180.0
127.60121154785156	156.0
127.79463195800781	148.0
128.67587280273438	152.0
128.76393127441406	160.0
130.05902099609375	248.0
132.10427856445312	300.0
133.08616638183594	156.0
133.1045379638672	280.0
135.53573608398438	156.0
136.5246124267578	144.0
138.52252197265625	152.0
138.71701049804688	144.0
139.02426147460938	224.0
139.05516052246094	96.0
139.54336547851562	176.0
139.6421356201172	244.0
139.7691650390625	172.0
140.83238220214844	144.0
141.05685424804688	180.0
141.2791290283203	228.0
142.61473083496094	164.0
143.8360595703125	152.0
144.34494018554688	184.0
145.5117950439453	172.0
146.1173553466797	124.0
150.09939575195312	144.0
150.7511444091797	204.0
152.2160186767578	260.0
153.16778564453125	188.0
155.08270263671875	224.0
155.9563751220703	188.0
156.90231323242188	152.0
158.1180877685547	5088.0
158.2305145263672	152.0
159.0310516357422	196.0
159.1192626953125	848.0
160.11642456054688	108.0
161.33084106445312	176.0
163.0580291748047	196.0
165.39328002929688	260.0
166.06201171875	152.0
168.29827880859375	188.0
170.51051330566406	140.0
171.11660766601562	176.0
171.81494140625	176.0
173.13137817382812	292.0
173.85595703125	156.0
174.3838348388672	204.0
175.04415893554688	184.0
175.62130737304688	256.0
176.18092346191406	164.0
176.84991455078125	156.0
177.05821228027344	180.0
178.06063842773438	396.0
178.0934295654297	144.0
179.07272338867188	124.0
180.08233642578125	156.0
180.6791229248047	172.0
180.87179565429688	192.0
181.09193420410156	184.0
181.92527770996094	172.0
183.02491760253906	240.0
184.03599548339844	148.0
185.29905700683594	188.0
187.0200958251953	176.0
188.00730895996094	172.0
190.14743041992188	180.0
190.93865966796875	228.0
191.6240692138672	140.0
191.84730529785156	184.0
193.08982849121094	144.0
193.69320678710938	156.0
194.08119201660156	156.0
195.08621215820312	180.0
196.0771026611328	140.0
197.4087371826172	204.0
198.0748291015625	164.0
199.24461364746094	156.0
199.35418701171875	204.0
199.69154357910156	172.0
200.39529418945312	148.0
202.4459991455078	184.0
203.24252319335938	180.0
204.03208923339844	172.0
205.0775146484375	152.0
208.03024291992188	168.0
208.3216094970703	156.0
209.027587890625	1180.0
209.22079467773438	112.0
209.6335906982422	228.0
210.03802490234375	13956.0
211.04039001464844	2632.0
212.0364532470703	748.0
212.42071533203125	160.0
213.03541564941406	148.0
213.05709838867188	160.0
213.70188903808594	152.0
213.88522338867188	164.0
215.63221740722656	132.0
215.9626922607422	152.0
217.0697021484375	180.0
217.7006072998047	188.0
217.85060119628906	176.0
218.0913543701172	164.0
218.4589080810547	168.0
219.0918731689453	684.0
219.28631591796875	164.0
220.0680389404297	160.0
220.09498596191406	264.0
220.4623260498047	116.0
220.57911682128906	180.0
220.79791259765625	172.0
220.9783477783203	200.0
221.10848999023438	35132.0
221.18846130371094	164.0
221.3765869140625	148.0
221.5709686279297	148.0
222.1112060546875	4300.0
222.31039428710938	140.0
222.37770080566406	164.0
223.1148223876953	292.0
223.6790771484375	124.0
223.85513305664062	164.0
224.1226348876953	272.0
224.52505493164062	188.0
225.05052185058594	208.0
225.57603454589844	144.0
226.06704711914062	216.0
227.06410217285156	168.0
227.14512634277344	160.0
227.6042938232422	164.0
228.04684448242188	452.0
228.39466857910156	156.0
229.05262756347656	348.0
230.6621856689453	160.0
231.26409912109375	216.0
232.36105346679688	224.0
232.8072509765625	140.0
233.37547302246094	164.0
234.2935028076172	188.0
234.92564392089844	168.0
235.3468017578125	164.0
236.05674743652344	296.0
236.8115997314453	180.0
237.88478088378906	156.0
238.0517578125	312.0
239.25892639160156	164.0
239.86578369140625	156.0
240.36231994628906	172.0
241.79310607910156	188.0
241.94168090820312	152.0
242.64183044433594	184.0
242.9984893798828	152.0
245.11349487304688	156.0
246.11395263671875	288.0
246.93276977539062	204.0
247.1240234375	8716.0
247.71527099609375	140.0
248.12840270996094	1496.0
249.13427734375	420.0
250.0167236328125	148.0
250.0796661376953	148.0
250.89752197265625	120.0
251.06216430664062	564.0
251.82952880859375	216.0
251.91165161132812	204.0
252.06869506835938	368.0
252.07745361328125	400.0
252.1170196533203	228.0
252.1644287109375	172.0
252.24659729003906	276.0
252.56912231445312	164.0
252.64329528808594	144.0
252.85755920410156	124.0
252.88478088378906	168.0
252.93301391601562	144.0
252.9569549560547	156.0
253.0004119873047	160.0
253.03915405273438	280.0
253.08058166503906	75116.0
253.1690216064453	120.0
253.26248168945312	216.0
253.60438537597656	108.0
253.81690979003906	172.0
253.84861755371094	140.0
253.91976928710938	112.0
254.04721069335938	136.0
254.0829315185547	11912.0
254.69638061523438	96.0
255.07752990722656	3240.0
255.151611328125	116.0
255.17584228515625	176.0
255.28781127929688	112.0
255.64683532714844	160.0
255.69139099121094	104.0
255.7405242919922	116.0
255.83250427246094	120.0
255.85801696777344	152.0
256.08160400390625	316.0
259.0917663574219	272.0
259.37054443359375	180.0
263.066650390625	456.0
264.06787109375	292.0
264.696044921875	148.0
268.82110595703125	140.0
272.60003662109375	196.0
273.02410888671875	192.0
274.3411560058594	156.0
274.489501953125	168.0
275.04705810546875	140.0
276.17376708984375	248.0
277.0443420410156	200.0
277.42071533203125	104.0
278.1673889160156	144.0
278.30328369140625	148.0
278.3444519042969	168.0
278.8928527832031	176.0
278.9591064453125	140.0
279.09552001953125	24160.0
279.17852783203125	140.0
279.2084655761719	152.0
279.9916076660156	136.0
280.04669189453125	116.0
280.0995788574219	2356.0
281.0216979980469	144.0
281.09918212890625	596.0
281.6396484375	116.0
282.1058349609375	132.0
282.2415771484375	148.0
283.5787353515625	148.0
285.3175048828125	144.0
287.9727783203125	140.0
290.6607360839844	220.0
291.7679443359375	184.0
294.2608642578125	208.0
297.07147216796875	208.0
300.2013244628906	240.0
302.0179443359375	204.0
302.1268005371094	148.0
302.28778076171875	148.0
304.1280517578125	208.0
308.9647216796875	148.0
313.4870910644531	148.0
320.0401916503906	156.0
320.2040100097656	172.0
320.2680969238281	224.0
320.42840576171875	172.0
322.1658020019531	208.0
323.15966796875	160.0
323.5175476074219	180.0
324.34503173828125	204.0
324.4597473144531	148.0
324.92236328125	184.0
325.5684509277344	176.0
326.72943115234375	148.0
329.8740234375	164.0
330.0041809082031	176.0
331.7509765625	96.0
332.6524353027344	148.0
334.31341552734375	140.0
334.837646484375	168.0
337.03369140625	196.0
341.3590087890625	156.0
341.6325378417969	160.0
342.2789306640625	188.0
343.0378723144531	156.0
344.865478515625	156.0
347.9803771972656	172.0
349.3666076660156	192.0
355.3966369628906	156.0
356.1174011230469	148.0
356.85015869140625	144.0
360.0644226074219	144.0
373.03094482421875	152.0
373.46160888671875	144.0
375.0594787597656	156.0
378.6759338378906	140.0
379.0827331542969	148.0
379.718505859375	168.0
381.0190124511719	96.0
381.7301330566406	352.0
382.16094970703125	260.0
382.27862548828125	164.0
382.3291931152344	200.0
382.7857666015625	100.0
382.94818115234375	264.0
383.026123046875	144.0
383.1418151855469	184.0
383.27996826171875	100.0
383.45098876953125	100.0
383.54437255859375	148.0
383.588134765625	164.0
383.6354064941406	180.0
383.699462890625	212.0
383.83502197265625	180.0
383.8821105957031	320.0
384.0118713378906	296.0
384.0512390136719	148.0
384.17620849609375	163416.0
384.3061218261719	148.0
384.36199951171875	244.0
384.4687805175781	108.0
384.54144287109375	256.0
384.57061767578125	132.0
384.61053466796875	152.0
384.6546325683594	224.0
384.75238037109375	156.0
384.8160095214844	680.0
384.8612976074219	264.0
384.8910217285156	168.0
384.9503479003906	164.0
385.0010070800781	120.0
385.03363037109375	260.0
385.1777648925781	35224.0
385.2749938964844	208.0
385.5114440917969	192.0
385.5501403808594	144.0
385.5603942871094	112.0
385.6282958984375	292.0
385.6675109863281	160.0
385.7497863769531	128.0
385.7930908203125	208.0
385.8727111816406	200.0
385.9260559082031	120.0
385.9673156738281	108.0
386.08514404296875	160.0
386.1746520996094	10176.0
386.2552795410156	296.0
386.3566589355469	172.0
386.4403381347656	104.0
386.6573791503906	128.0
386.70391845703125	124.0
386.9200439453125	168.0
387.0661315917969	104.0
387.1332092285156	116.0
387.1763610839844	1096.0
387.2884826660156	100.0
387.3559265136719	96.0
387.4311828613281	116.0
387.4706726074219	128.0
387.510498046875	188.0
387.61053466796875	208.0
387.6836853027344	268.0
387.8870544433594	148.0
387.9419250488281	148.0
388.1146240234375	168.0
388.17938232421875	140.0
388.4767150878906	128.0
388.56451416015625	112.0
388.64849853515625	172.0
388.7343444824219	104.0
389.0613708496094	112.0
389.47418212890625	116.0
389.5812072753906	176.0
389.93267822265625	112.0
395.0262451171875	160.0
518.48974609375	164.0
519.6076049804688	148.0
548.3402709960938	148.0
567.2546997070312	160.0
655.1663818359375	180.0
1095.607666015625	224.0
1702.4708251953125	152.0
1712.100830078125	200.0
1749.6099853515625	184.0
1759.497314453125	268.0
1779.4564208984375	224.0
1797.401123046875	144.0
1808.522705078125	180.0
1953.3460693359375	144.0
1977.58447265625	156.0
2002.016845703125	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079142
PEPMASS=245.131607
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_G2_H11_BD7_01_15731.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (R)- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCOC(=O)c1cncn1[C@H](C)c2ccccc2
INCHI=InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
INCHIAUX=NPUKDXXFDDZOKR-LLVKDONJSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079142
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079142
SCANS=1181
45.10872268676758	380.0
45.16756057739258	176.0
45.32151794433594	176.0
45.708229064941406	208.0
45.73649215698242	192.0
45.82402420043945	208.0
45.980445861816406	140.0
46.068214416503906	212.0
46.134429931640625	212.0
46.23587417602539	172.0
46.61287307739258	152.0
46.69443893432617	172.0
46.7529411315918	176.0
46.90139389038086	168.0
47.09514617919922	148.0
47.14569854736328	216.0
47.24687957763672	216.0
47.57569122314453	116.0
47.633460998535156	192.0
47.68429946899414	140.0
47.8434944152832	180.0
47.91823196411133	180.0
48.1168327331543	184.0
48.16455841064453	148.0
48.271583557128906	192.0
48.31584548950195	296.0
48.358741760253906	164.0
48.48893356323242	168.0
48.804046630859375	156.0
49.06998062133789	180.0
49.699378967285156	220.0
49.93397521972656	160.0
50.016990661621094	204.0
50.2593879699707	164.0
50.40482711791992	180.0
50.45429611206055	248.0
50.68783187866211	140.0
50.744529724121094	144.0
50.825374603271484	192.0
51.61735916137695	192.0
51.85070037841797	156.0
51.99268341064453	204.0
52.06589889526367	192.0
52.39097213745117	160.0
52.47311782836914	216.0
52.78355026245117	180.0
52.8602180480957	164.0
52.875301361083984	212.0
53.19993209838867	248.0
53.37192153930664	172.0
53.694278717041016	212.0
53.81812286376953	176.0
53.834144592285156	144.0
53.87654495239258	212.0
54.207210540771484	192.0
54.77866744995117	160.0
55.09442901611328	252.0
55.225990295410156	140.0
55.44955825805664	260.0
55.83705139160156	204.0
55.85935974121094	156.0
55.87721252441406	160.0
56.043968200683594	152.0
56.3074951171875	152.0
56.5083122253418	164.0
56.529258728027344	224.0
56.5591926574707	144.0
56.750946044921875	152.0
56.92350387573242	160.0
57.03317642211914	168.0
57.141448974609375	172.0
57.16402053833008	164.0
57.44425582885742	176.0
57.45632553100586	196.0
57.54385757446289	148.0
57.58312225341797	152.0
57.681331634521484	156.0
57.82804870605469	152.0
57.993141174316406	180.0
58.08866882324219	140.0
58.383323669433594	156.0
58.43199920654297	156.0
58.45025634765625	224.0
58.72447204589844	248.0
58.78702163696289	168.0
59.19670486450195	228.0
59.28709030151367	168.0
59.326942443847656	188.0
59.672367095947266	204.0
59.72157669067383	220.0
60.02188491821289	140.0
60.33994674682617	176.0
60.888484954833984	156.0
61.121665954589844	172.0
61.3178825378418	152.0
61.659671783447266	140.0
61.76286315917969	164.0
61.78743362426758	204.0
61.8442268371582	232.0
62.80898666381836	224.0
62.86104965209961	156.0
63.003150939941406	140.0
63.19445037841797	156.0
63.35435485839844	140.0
64.053955078125	128.0
64.07242584228516	140.0
64.21269989013672	140.0
64.29725646972656	196.0
64.65684509277344	200.0
64.8826904296875	204.0
64.95004272460938	160.0
65.07200622558594	176.0
65.15230560302734	204.0
65.29536437988281	168.0
65.72547912597656	168.0
65.74087524414062	252.0
65.95480346679688	212.0
66.02755737304688	216.0
66.26551055908203	208.0
66.34492492675781	148.0
66.56071472167969	168.0
66.72156524658203	168.0
66.86795806884766	144.0
67.05851745605469	176.0
67.30811309814453	140.0
68.20972442626953	272.0
68.39505767822266	160.0
68.4312744140625	152.0
68.56304931640625	156.0
68.7560043334961	156.0
68.78901672363281	140.0
68.98063659667969	212.0
69.35638427734375	324.0
69.48241424560547	168.0
70.01264953613281	164.0
70.24217224121094	192.0
70.53821563720703	184.0
70.68706512451172	180.0
70.80592346191406	204.0
71.0489730834961	212.0
71.35462951660156	160.0
71.47740936279297	184.0
71.66262817382812	180.0
71.69126892089844	144.0
71.97635650634766	200.0
72.24169921875	176.0
72.29415130615234	188.0
72.30768585205078	156.0
72.40249633789062	196.0
72.59907531738281	200.0
72.65335845947266	200.0
72.7127456665039	160.0
73.0386962890625	152.0
73.89020538330078	156.0
74.27050018310547	208.0
74.55722045898438	184.0
74.739501953125	140.0
75.28475189208984	180.0
75.9486312866211	160.0
76.01126098632812	180.0
76.20573425292969	148.0
76.2387466430664	200.0
76.26307678222656	164.0
76.54490661621094	152.0
76.5727767944336	140.0
76.623291015625	140.0
76.65464782714844	216.0
77.15907287597656	152.0
77.51263427734375	172.0
78.04447937011719	184.0
78.19149780273438	188.0
78.42120361328125	180.0
78.53228759765625	160.0
78.82180786132812	172.0
79.04991912841797	184.0
79.27658081054688	148.0
79.59943389892578	148.0
79.94607543945312	140.0
80.06237030029297	160.0
80.80255126953125	140.0
80.86160278320312	172.0
81.04783630371094	220.0
81.40120697021484	172.0
81.58087158203125	144.0
81.92279052734375	200.0
82.07778930664062	148.0
82.31236267089844	276.0
82.35677337646484	168.0
82.41170501708984	188.0
83.08158111572266	188.0
83.28488159179688	144.0
83.3121337890625	144.0
83.43207550048828	180.0
83.65765380859375	160.0
84.21197509765625	180.0
84.3709487915039	204.0
84.38739776611328	276.0
84.4221420288086	200.0
84.51543426513672	188.0
84.61792755126953	192.0
85.2066421508789	140.0
85.57816314697266	152.0
85.63893127441406	288.0
85.72551727294922	168.0
86.00215911865234	224.0
86.21824645996094	176.0
86.37539672851562	204.0
86.39945220947266	256.0
86.67621612548828	196.0
87.46833038330078	200.0
87.53535461425781	196.0
87.89884948730469	156.0
88.1602783203125	160.0
88.38092803955078	168.0
88.64495086669922	176.0
88.88684844970703	140.0
88.92396545410156	216.0
89.14938354492188	208.0
89.23600006103516	184.0
89.46761322021484	184.0
89.51656341552734	224.0
89.561767578125	172.0
89.63712310791016	148.0
90.01249694824219	168.0
90.1258316040039	140.0
90.27326965332031	220.0
90.42461395263672	204.0
90.58177185058594	148.0
90.6954574584961	204.0
90.76939392089844	140.0
91.06734466552734	144.0
91.58659362792969	168.0
91.61898040771484	144.0
91.63231658935547	196.0
92.01947784423828	164.0
92.10145568847656	168.0
92.2353515625	176.0
92.25446319580078	168.0
92.30226135253906	140.0
92.3844985961914	172.0
92.5318603515625	172.0
92.64485168457031	152.0
92.8403549194336	180.0
93.17626190185547	172.0
93.34539794921875	192.0
93.39732360839844	156.0
93.46273803710938	188.0
93.62635803222656	180.0
93.8884506225586	184.0
94.1219482421875	148.0
94.39285278320312	188.0
94.43114471435547	176.0
94.49691772460938	148.0
94.6517562866211	152.0
94.7098617553711	152.0
94.77989196777344	212.0
94.88807678222656	172.0
94.94043731689453	140.0
94.94483184814453	136.0
94.9812240600586	148.0
94.99842071533203	280.0
95.02471160888672	73664.0
95.10201263427734	224.0
95.12870025634766	180.0
95.16446685791016	104.0
95.20184326171875	140.0
95.3598403930664	188.0
96.02702331542969	5036.0
96.12908935546875	168.0
96.60386657714844	168.0
96.75259399414062	144.0
96.89163970947266	148.0
97.02863311767578	212.0
97.18572998046875	212.0
97.26618957519531	140.0
97.47240447998047	160.0
97.7654037475586	160.0
97.78630828857422	180.0
98.75579833984375	160.0
99.05609130859375	152.0
99.21321105957031	196.0
99.29252624511719	180.0
99.62307739257812	208.0
99.84661865234375	172.0
100.01971435546875	196.0
100.54788970947266	140.0
100.64570617675781	172.0
101.47604370117188	200.0
101.54421997070312	176.0
101.84528350830078	188.0
102.04461669921875	144.0
102.08846282958984	148.0
102.14547729492188	264.0
102.18903350830078	144.0
102.28965759277344	140.0
102.43061065673828	100.0
102.62004852294922	144.0
102.66642761230469	140.0
102.68659210205078	176.0
102.94490814208984	192.0
103.05461883544922	4876.0
103.30265045166016	184.0
103.32085418701172	176.0
103.74337005615234	112.0
104.05885314941406	556.0
104.55046844482422	180.0
104.71463775634766	144.0
104.94564819335938	208.0
105.00855255126953	160.0
105.03104400634766	220.0
105.04695129394531	160.0
105.07040405273438	54488.0
105.12610626220703	124.0
105.14827728271484	108.0
105.24966430664062	220.0
105.52654266357422	156.0
105.59020233154297	124.0
105.72186279296875	160.0
106.0208511352539	156.0
106.07392883300781	3040.0
106.18486022949219	216.0
106.52849578857422	144.0
106.76642608642578	112.0
106.89204406738281	132.0
107.07527160644531	420.0
107.18712615966797	132.0
107.22309112548828	168.0
107.25813293457031	144.0
107.29730224609375	152.0
107.423095703125	144.0
107.52947235107422	224.0
107.59231567382812	228.0
107.722412109375	144.0
108.45147705078125	188.0
108.80548858642578	152.0
109.0069580078125	224.0
110.26776123046875	148.0
110.84535217285156	200.0
111.6703872680664	148.0
111.7608413696289	164.0
111.8429183959961	148.0
112.16307830810547	176.0
112.6653060913086	184.0
112.83860778808594	156.0
113.03477478027344	6492.0
113.06282043457031	156.0
113.82809448242188	188.0
113.84720611572266	200.0
114.04122924804688	280.0
114.48944091796875	144.0
115.03829956054688	464.0
115.6958236694336	176.0
115.71509552001953	160.0
116.14582824707031	200.0
118.28985595703125	204.0
118.33531951904297	192.0
118.42626953125	156.0
118.48692321777344	172.0
118.87818908691406	132.0
118.98138427734375	180.0
119.38117980957031	160.0
120.01483154296875	220.0
120.31809997558594	168.0
121.05274963378906	144.0
121.30032348632812	144.0
122.65496826171875	204.0
123.09119415283203	180.0
123.15081787109375	140.0
124.90853118896484	220.0
125.42512512207031	148.0
125.6704330444336	176.0
126.00979614257812	152.0
126.2087173461914	148.0
126.37647247314453	180.0
126.64286041259766	184.0
127.4392318725586	168.0
127.52687072753906	148.0
128.0330810546875	144.0
128.2425994873047	144.0
128.66668701171875	152.0
129.0530242919922	140.0
129.17514038085938	184.0
129.3222198486328	176.0
129.76394653320312	160.0
129.8705291748047	176.0
130.07020568847656	164.0
130.2859344482422	172.0
131.20079040527344	168.0
131.53155517578125	188.0
132.38433837890625	184.0
132.4507598876953	224.0
132.466796875	160.0
134.0474853515625	180.0
134.2457275390625	164.0
134.631103515625	180.0
135.08412170410156	180.0
135.52862548828125	164.0
136.1595916748047	176.0
136.3314971923828	208.0
137.12474060058594	216.0
137.51458740234375	160.0
137.98643493652344	152.0
138.40992736816406	176.0
138.91146850585938	168.0
139.01939392089844	140.0
139.10858154296875	172.0
139.16493225097656	148.0
139.84664916992188	196.0
140.02679443359375	148.0
140.04678344726562	212.0
140.14337158203125	180.0
140.37774658203125	176.0
140.42388916015625	200.0
140.46633911132812	180.0
140.6197052001953	148.0
140.6598358154297	184.0
140.70135498046875	164.0
140.7672882080078	172.0
140.81849670410156	264.0
140.84164428710938	160.0
140.8757781982422	340.0
140.91539001464844	224.0
141.01136779785156	212.0
141.0393829345703	140.0
141.0674285888672	190316.0
141.1667938232422	144.0
141.19924926757812	204.0
141.23501586914062	120.0
141.27772521972656	272.0
141.29397583007812	336.0
141.328857421875	272.0
141.34999084472656	184.0
141.4547576904297	2728.0
141.5255126953125	112.0
141.58023071289062	184.0
141.61050415039062	232.0
141.8782958984375	104.0
141.93556213378906	272.0
141.96299743652344	204.0
142.06924438476562	12428.0
142.74815368652344	100.0
142.8018035888672	228.0
142.8340301513672	188.0
142.90216064453125	148.0
142.96987915039062	148.0
142.98667907714844	128.0
143.02902221679688	108.0
143.07052612304688	836.0
143.13198852539062	380.0
143.1706085205078	224.0
143.19517517089844	112.0
143.22650146484375	120.0
143.3259735107422	112.0
144.07162475585938	128.0
144.19020080566406	220.0
144.22409057617188	160.0
150.940673828125	132.0
153.22425842285156	140.0
158.1636199951172	140.0
159.0748748779297	176.0
160.93399047851562	160.0
167.08673095703125	152.0
172.4310760498047	164.0
181.49041748046875	152.0
203.9380340576172	160.0
209.93601989746094	156.0
221.54945373535156	188.0
222.0177764892578	148.0
245.1283416748047	1284.0
246.1254425048828	160.0
246.23239135742188	148.0
247.13580322265625	152.0
247.16395568847656	160.0
1029.3580322265625	152.0
1059.3489990234375	300.0
1075.8079833984375	196.0
1082.123291015625	216.0
1115.8909912109375	264.0
1162.5018310546875	168.0
1197.22998046875	148.0
1197.2919921875	216.0
1215.028564453125	184.0
1215.2783203125	168.0
1226.89990234375	224.0
1228.810791015625	272.0
1244.42529296875	212.0
1255.1905517578125	176.0
1264.423583984375	176.0
1265.8818359375	216.0
1271.638427734375	164.0
1276.1065673828125	288.0
1277.5858154296875	200.0
1280.2548828125	200.0
1282.442138671875	160.0
1287.736083984375	184.0
1289.9940185546875	176.0
1294.1075439453125	140.0
1296.7437744140625	236.0
1296.8226318359375	208.0
1298.1846923828125	164.0
1299.8345947265625	160.0
1302.4693603515625	176.0
1309.892578125	160.0
1311.283203125	160.0
1313.669921875	160.0
1316.8602294921875	176.0
1317.784912109375	144.0
1321.75439453125	152.0
1325.1356201171875	140.0
1339.162841796875	184.0
1341.16650390625	160.0
1346.572998046875	188.0
1352.341552734375	148.0
1353.5714111328125	152.0
1356.025634765625	160.0
1356.8319091796875	200.0
1357.8658447265625	164.0
1363.26171875	188.0
1364.3494873046875	152.0
1369.7139892578125	212.0
1370.2958984375	156.0
1386.3004150390625	224.0
1389.10302734375	156.0
1391.440673828125	204.0
1392.7921142578125	164.0
1397.527587890625	140.0
1399.060791015625	212.0
1401.8538818359375	176.0
1407.5677490234375	228.0
1410.4515380859375	140.0
1411.715087890625	160.0
1413.6749267578125	180.0
1415.02978515625	144.0
1422.413818359375	208.0
1425.079833984375	212.0
1427.755859375	148.0
1427.8836669921875	144.0
1428.5230712890625	192.0
1430.3892822265625	176.0
1432.068359375	148.0
1433.5223388671875	248.0
1433.951904296875	236.0
1434.1553955078125	168.0
1437.7982177734375	180.0
1438.1151123046875	152.0
1438.6964111328125	140.0
1440.5465087890625	172.0
1441.5211181640625	168.0
1441.62890625	256.0
1452.4990234375	192.0
1452.5823974609375	176.0
1455.884033203125	172.0
1460.1929931640625	180.0
1460.3375244140625	148.0
1461.691650390625	188.0
1464.4171142578125	140.0
1465.308349609375	188.0
1466.4742431640625	204.0
1466.9010009765625	144.0
1470.562255859375	244.0
1472.0738525390625	144.0
1472.7230224609375	160.0
1473.265380859375	176.0
1474.3656005859375	144.0
1475.7720947265625	172.0
1478.9544677734375	152.0
1480.3402099609375	196.0
1481.826171875	180.0
1486.109619140625	176.0
1487.577880859375	148.0
1489.8125	156.0
1492.610107421875	200.0
1494.2252197265625	140.0
1495.8336181640625	240.0
1500.7872314453125	200.0
1501.697265625	180.0
1505.2625732421875	172.0
1506.876953125	148.0
1508.2137451171875	200.0
1512.4525146484375	184.0
1516.9306640625	148.0
1519.1319580078125	272.0
1519.387939453125	192.0
1522.135498046875	280.0
1522.2752685546875	156.0
1522.4228515625	140.0
1522.539306640625	204.0
1524.4193115234375	160.0
1524.6783447265625	192.0
1525.1654052734375	152.0
1528.29931640625	140.0
1529.0152587890625	160.0
1529.2254638671875	200.0
1529.754638671875	236.0
1530.899169921875	140.0
1533.750732421875	168.0
1534.2261962890625	156.0
1535.7935791015625	208.0
1537.5958251953125	176.0
1537.7752685546875	156.0
1539.7662353515625	200.0
1542.6337890625	140.0
1544.7607421875	160.0
1546.6700439453125	148.0
1547.1944580078125	160.0
1547.5233154296875	228.0
1548.7998046875	228.0
1550.3980712890625	176.0
1553.4010009765625	156.0
1555.0487060546875	156.0
1555.543212890625	156.0
1555.989501953125	196.0
1560.2880859375	160.0
1561.5303955078125	204.0
1564.032470703125	168.0
1564.7882080078125	176.0
1564.96142578125	160.0
1565.252685546875	208.0
1567.3558349609375	192.0
1569.1607666015625	200.0
1575.0872802734375	140.0
1578.9996337890625	180.0
1582.204345703125	144.0
1583.194091796875	196.0
1583.7801513671875	172.0
1586.9737548828125	140.0
1590.5675048828125	180.0
1593.54541015625	152.0
1594.30029296875	172.0
1595.428955078125	180.0
1596.00146484375	160.0
1600.1307373046875	140.0
1600.6004638671875	184.0
1602.0101318359375	172.0
1602.3367919921875	140.0
1602.5518798828125	156.0
1603.0858154296875	140.0
1604.4168701171875	148.0
1606.051513671875	144.0
1606.474365234375	188.0
1607.1046142578125	212.0
1609.459228515625	148.0
1610.050048828125	180.0
1610.529296875	192.0
1612.4947509765625	140.0
1614.357421875	200.0
1614.557373046875	144.0
1615.0133056640625	156.0
1615.877197265625	184.0
1617.501708984375	188.0
1618.2862548828125	184.0
1619.4073486328125	148.0
1619.51953125	148.0
1620.7772216796875	176.0
1622.38818359375	184.0
1623.3743896484375	144.0
1624.9705810546875	144.0
1625.8773193359375	144.0
1626.206298828125	172.0
1629.3380126953125	192.0
1631.009521484375	204.0
1632.2314453125	180.0
1632.890869140625	168.0
1632.9954833984375	180.0
1639.685791015625	140.0
1641.580322265625	148.0
1644.6611328125	124.0
1645.04150390625	152.0
1647.4156494140625	168.0
1650.5111083984375	204.0
1650.939697265625	192.0
1651.5543212890625	164.0
1653.3828125	156.0
1654.5079345703125	184.0
1654.831787109375	184.0
1655.333740234375	200.0
1656.0220947265625	248.0
1656.9522705078125	188.0
1658.4771728515625	152.0
1659.7174072265625	156.0
1660.877197265625	208.0
1661.7532958984375	160.0
1662.2725830078125	152.0
1663.124755859375	172.0
1663.790283203125	172.0
1671.1063232421875	124.0
1671.202392578125	236.0
1671.300048828125	176.0
1672.3092041015625	200.0
1672.4149169921875	192.0
1672.5859375	140.0
1673.839599609375	144.0
1674.067626953125	144.0
1675.4278564453125	288.0
1676.935302734375	188.0
1679.2344970703125	156.0
1680.21337890625	192.0
1680.7926025390625	160.0
1683.573486328125	220.0
1684.1805419921875	144.0
1690.2874755859375	144.0
1692.653076171875	148.0
1693.848876953125	140.0
1696.34814453125	156.0
1696.5858154296875	264.0
1698.7178955078125	192.0
1699.14453125	180.0
1703.2161865234375	212.0
1704.6702880859375	140.0
1705.7305908203125	160.0
1707.1611328125	176.0
1707.5474853515625	152.0
1711.530517578125	184.0
1713.1365966796875	156.0
1713.3671875	212.0
1713.474365234375	240.0
1714.660888671875	244.0
1715.5394287109375	204.0
1718.6685791015625	160.0
1719.6258544921875	208.0
1719.7083740234375	172.0
1720.071533203125	252.0
1721.9705810546875	148.0
1722.2679443359375	196.0
1726.4595947265625	200.0
1728.551025390625	140.0
1729.5606689453125	160.0
1730.71142578125	176.0
1732.185546875	156.0
1732.6080322265625	156.0
1732.7239990234375	168.0
1733.20458984375	156.0
1733.9835205078125	172.0
1736.246826171875	152.0
1738.802001953125	188.0
1740.163330078125	144.0
1741.8409423828125	184.0
1742.9541015625	172.0
1743.585693359375	208.0
1744.682861328125	184.0
1744.7991943359375	140.0
1746.587158203125	240.0
1749.4246826171875	224.0
1750.6485595703125	196.0
1753.5394287109375	176.0
1756.5660400390625	204.0
1757.125	140.0
1758.101318359375	152.0
1758.9859619140625	148.0
1759.38671875	144.0
1760.15234375	148.0
1763.3209228515625	176.0
1763.52978515625	172.0
1764.9473876953125	224.0
1766.263916015625	172.0
1770.84228515625	164.0
1770.9930419921875	184.0
1773.2301025390625	212.0
1777.196533203125	236.0
1781.8814697265625	192.0
1781.973876953125	168.0
1783.6966552734375	172.0
1787.9693603515625	144.0
1788.087158203125	248.0
1788.373291015625	284.0
1790.452880859375	196.0
1792.946533203125	172.0
1793.57861328125	180.0
1798.2259521484375	268.0
1798.93505859375	164.0
1801.282470703125	176.0
1802.2962646484375	180.0
1802.6090087890625	196.0
1803.006103515625	176.0
1803.470947265625	144.0
1805.2801513671875	148.0
1807.437255859375	172.0
1808.4527587890625	224.0
1810.1798095703125	168.0
1811.20458984375	152.0
1819.59130859375	216.0
1820.74609375	216.0
1823.226806640625	148.0
1823.9322509765625	156.0
1824.6378173828125	164.0
1825.35205078125	192.0
1825.6666259765625	220.0
1829.73388671875	180.0
1830.5001220703125	176.0
1834.4959716796875	148.0
1835.067138671875	184.0
1837.37841796875	140.0
1838.197509765625	208.0
1840.244384765625	168.0
1841.4158935546875	140.0
1842.2274169921875	164.0
1842.412841796875	152.0
1844.731201171875	140.0
1845.4749755859375	164.0
1847.1683349609375	164.0
1848.691162109375	156.0
1849.307373046875	160.0
1850.4288330078125	144.0
1851.2080078125	200.0
1852.072998046875	216.0
1852.672607421875	196.0
1853.3665771484375	160.0
1854.2974853515625	208.0
1854.3863525390625	168.0
1856.91552734375	144.0
1857.241455078125	140.0
1860.08154296875	160.0
1861.5411376953125	144.0
1863.4393310546875	160.0
1864.341552734375	148.0
1865.5743408203125	200.0
1869.1829833984375	152.0
1870.637451171875	168.0
1870.861328125	156.0
1872.023681640625	208.0
1873.4189453125	160.0
1873.513671875	212.0
1875.978271484375	420.0
1876.3145751953125	144.0
1877.064697265625	200.0
1877.5648193359375	244.0
1878.1512451171875	192.0
1879.79052734375	184.0
1884.6173095703125	160.0
1885.2308349609375	208.0
1890.5716552734375	192.0
1892.2457275390625	148.0
1892.3236083984375	196.0
1893.700439453125	180.0
1894.9912109375	168.0
1895.103759765625	156.0
1895.6756591796875	216.0
1896.239013671875	184.0
1896.8370361328125	244.0
1897.6173095703125	216.0
1897.781982421875	152.0
1899.2908935546875	224.0
1900.7137451171875	200.0
1901.2430419921875	224.0
1902.058837890625	176.0
1906.557861328125	172.0
1907.357421875	224.0
1907.9923095703125	148.0
1908.7310791015625	228.0
1910.0616455078125	148.0
1911.1143798828125	176.0
1912.924560546875	172.0
1913.029052734375	160.0
1913.272705078125	196.0
1916.3297119140625	204.0
1917.784912109375	236.0
1919.35595703125	192.0
1919.98193359375	156.0
1920.23486328125	148.0
1921.00244140625	140.0
1922.2762451171875	148.0
1923.6290283203125	180.0
1928.034423828125	188.0
1929.552001953125	156.0
1932.0357666015625	216.0
1932.3726806640625	116.0
1932.7779541015625	120.0
1935.7818603515625	216.0
1936.46484375	172.0
1938.4710693359375	172.0
1939.917236328125	172.0
1943.1005859375	156.0
1944.785400390625	156.0
1946.058349609375	168.0
1947.120849609375	140.0
1947.2613525390625	164.0
1948.974365234375	264.0
1949.9410400390625	200.0
1951.426513671875	160.0
1951.5057373046875	196.0
1951.76953125	156.0
1952.9091796875	252.0
1953.669189453125	148.0
1954.4169921875	208.0
1954.5050048828125	208.0
1956.6260986328125	160.0
1957.6123046875	188.0
1957.6739501953125	200.0
1958.008544921875	204.0
1958.211181640625	196.0
1958.7484130859375	160.0
1959.4002685546875	160.0
1960.299072265625	176.0
1960.854248046875	252.0
1963.781982421875	160.0
1966.0927734375	148.0
1966.8077392578125	148.0
1970.074951171875	232.0
1970.4813232421875	164.0
1971.3206787109375	144.0
1972.2840576171875	176.0
1973.5128173828125	156.0
1976.71044921875	188.0
1977.2369384765625	152.0
1977.467041015625	140.0
1977.962646484375	160.0
1978.0689697265625	144.0
1980.0699462890625	152.0
1980.3975830078125	140.0
1980.654541015625	148.0
1981.3365478515625	156.0
1981.4251708984375	176.0
1983.9775390625	164.0
1984.5804443359375	160.0
1984.793212890625	212.0
1985.0875244140625	188.0
1986.371826171875	184.0
1987.4364013671875	152.0
1989.5931396484375	160.0
1989.974853515625	160.0
1990.1878662109375	156.0
1990.454345703125	160.0
1991.5821533203125	152.0
1992.4615478515625	172.0
1993.6700439453125	140.0
1994.798828125	140.0
1995.2254638671875	164.0
1996.267333984375	188.0
1996.897216796875	156.0
1997.0306396484375	208.0
1998.42724609375	164.0
1998.685302734375	148.0
2000.20703125	208.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079143
PEPMASS=325.176941
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_G2_H11_BD7_01_15731.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Citalopram [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CCCC1(OCc2cc(C#N)ccc21)c3ccc(F)cc3
INCHI=InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
INCHIAUX=WSEQXVZVJXJVFP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079143
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079143
SCANS=1145
44.94715881347656	156.0
46.22914505004883	140.0
46.77611541748047	152.0
48.06856155395508	196.0
49.426185607910156	184.0
49.51157760620117	156.0
51.175071716308594	160.0
52.27151107788086	172.0
52.41695022583008	168.0
52.84434509277344	180.0
53.06304168701172	156.0
53.16893005371094	176.0
54.37737274169922	156.0
54.662471771240234	172.0
55.636497497558594	156.0
58.17521286010742	196.0
58.3651237487793	160.0
58.683345794677734	192.0
59.68779373168945	164.0
60.14380645751953	148.0
60.89940643310547	152.0
61.68316650390625	144.0
63.165245056152344	176.0
64.15534973144531	192.0
66.05187225341797	200.0
66.30931854248047	156.0
66.76226806640625	180.0
68.02690124511719	252.0
68.14678955078125	152.0
68.17144012451172	168.0
69.77809143066406	140.0
71.05741882324219	156.0
71.49766540527344	192.0
71.99498748779297	148.0
72.90640258789062	168.0
74.38896179199219	192.0
74.58821868896484	140.0
75.4345932006836	164.0
75.84483337402344	176.0
77.6353988647461	140.0
78.22222900390625	164.0
78.44242095947266	188.0
78.91378021240234	200.0
79.16327667236328	180.0
79.35818481445312	164.0
79.94258117675781	192.0
80.26321411132812	152.0
80.49161529541016	160.0
81.44796752929688	208.0
82.6142578125	144.0
83.44668579101562	188.0
84.26136016845703	176.0
84.4148941040039	168.0
84.84700775146484	168.0
85.30778503417969	168.0
85.52484130859375	160.0
85.77350616455078	196.0
87.09651947021484	192.0
87.74224853515625	200.0
87.81310272216797	140.0
89.59574127197266	140.0
91.05412292480469	172.0
92.50130462646484	140.0
93.25511932373047	140.0
93.42817687988281	176.0
94.04866027832031	224.0
95.43378448486328	152.0
96.07843780517578	172.0
96.19357299804688	148.0
96.25409698486328	192.0
97.04458618164062	308.0
97.49606323242188	188.0
97.52357482910156	160.0
99.08645629882812	220.0
99.59825897216797	172.0
99.86260986328125	184.0
99.88846588134766	176.0
100.5020751953125	216.0
100.74564361572266	152.0
102.99952697753906	204.0
103.0177001953125	200.0
103.05609130859375	316.0
103.9531021118164	160.0
104.70323944091797	232.0
105.0714340209961	176.0
105.34573364257812	164.0
106.66539764404297	140.0
107.04693603515625	432.0
107.30769348144531	208.0
107.5634994506836	160.0
108.23954772949219	216.0
108.48816680908203	192.0
108.59806823730469	144.0
108.71839904785156	148.0
108.82785034179688	148.0
108.9530258178711	196.0
109.04539489746094	18044.0
109.18582916259766	168.0
109.3127212524414	140.0
109.889892578125	180.0
110.04832458496094	1492.0
110.07681274414062	196.0
110.12369537353516	160.0
110.61924743652344	140.0
110.75658416748047	120.0
110.80353546142578	268.0
111.04754638671875	156.0
111.80512237548828	212.0
112.11891174316406	188.0
112.828125	148.0
115.05488586425781	164.0
116.050048828125	2488.0
116.33689880371094	144.0
116.59894561767578	148.0
116.9452133178711	140.0
117.050537109375	472.0
118.05844116210938	148.0
119.57707214355469	164.0
119.96478271484375	180.0
120.0562515258789	160.0
120.4863510131836	240.0
121.04576873779297	120.0
121.06690979003906	364.0
121.4144287109375	144.0
122.04805755615234	156.0
122.16121673583984	188.0
123.02454376220703	628.0
124.67517852783203	148.0
124.99539947509766	180.0
125.03990936279297	160.0
126.1842269897461	152.0
126.79531860351562	184.0
127.2259750366211	240.0
127.50674438476562	212.0
128.0581817626953	144.0
128.2562255859375	184.0
128.32611083984375	184.0
129.0697021484375	288.0
130.03172302246094	172.0
130.0699920654297	144.0
131.17124938964844	200.0
131.72117614746094	208.0
133.0460205078125	280.0
133.06378173828125	360.0
133.52272033691406	204.0
134.04298400878906	140.0
134.0684356689453	160.0
134.52500915527344	184.0
134.7929229736328	188.0
135.0217742919922	160.0
135.07791137695312	180.0
135.7327117919922	176.0
136.05984497070312	140.0
136.38970947265625	180.0
136.59432983398438	196.0
137.0713653564453	316.0
137.71315002441406	144.0
137.83929443359375	152.0
138.14089965820312	144.0
139.04502868652344	164.0
139.9644775390625	164.0
139.99037170410156	160.0
140.0498504638672	496.0
140.3909912109375	192.0
141.05206298828125	212.0
141.53231811523438	172.0
142.06265258789062	760.0
144.04322814941406	524.0
144.98162841796875	176.0
145.93939208984375	228.0
146.0187530517578	212.0
146.07406616210938	192.0
146.09812927246094	232.0
147.05828857421875	412.0
147.7748565673828	144.0
148.99676513671875	156.0
149.1522979736328	180.0
149.42465209960938	172.0
149.80929565429688	160.0
150.91729736328125	196.0
151.07655334472656	140.0
151.5291748046875	148.0
151.99258422851562	144.0
153.15541076660156	152.0
153.69529724121094	148.0
154.06436157226562	432.0
154.270751953125	192.0
155.02069091796875	204.0
155.06727600097656	324.0
156.08164978027344	1832.0
156.81997680664062	176.0
157.0823516845703	660.0
157.3662872314453	160.0
157.47865295410156	164.0
158.06292724609375	208.0
159.05885314941406	396.0
159.1339111328125	176.0
159.18161010742188	172.0
160.2480926513672	244.0
160.8154754638672	212.0
161.86968994140625	192.0
162.01319885253906	240.0
162.05711364746094	184.0
162.9273223876953	176.0
164.35308837890625	144.0
165.13479614257812	148.0
165.5365753173828	160.0
166.06512451171875	3432.0
166.27745056152344	228.0
167.07028198242188	680.0
168.08053588867188	804.0
168.9106903076172	160.0
170.0596466064453	332.0
170.44288635253906	180.0
171.05972290039062	132.0
172.78160095214844	168.0
173.09568786621094	152.0
174.12498474121094	396.0
174.79928588867188	152.0
174.85191345214844	148.0
175.12835693359375	152.0
175.29696655273438	212.0
176.14356994628906	1112.0
177.0907745361328	144.0
177.14682006835938	180.0
177.3981475830078	188.0
177.46707153320312	164.0
180.7593231201172	180.0
180.9680938720703	164.0
182.18299865722656	204.0
183.74713134765625	204.0
184.05357360839844	164.0
184.0779266357422	336.0
185.08457946777344	152.0
185.1175079345703	148.0
186.4223175048828	140.0
186.50927734375	184.0
187.97720336914062	184.0
189.0073699951172	196.0
189.07029724121094	148.0
190.06878662109375	304.0
190.30931091308594	168.0
190.8890838623047	188.0
191.0733642578125	156.0
191.75074768066406	180.0
192.1174774169922	172.0
192.60330200195312	160.0
194.68603515625	160.0
196.06866455078125	160.0
198.98895263671875	168.0
199.0479278564453	144.0
200.14735412597656	152.0
200.96755981445312	176.0
202.0794219970703	236.0
202.15432739257812	168.0
202.23074340820312	140.0
203.03819274902344	140.0
203.07289123535156	352.0
203.16015625	192.0
205.9726104736328	172.0
206.47564697265625	152.0
207.06997680664062	168.0
207.21128845214844	140.0
208.054443359375	264.0
208.5600128173828	228.0
209.07533264160156	148.0
209.19859313964844	152.0
210.06459045410156	108.0
210.08616638183594	144.0
210.12655639648438	188.0
210.73863220214844	144.0
211.04820251464844	112.0
211.0789794921875	192.0
211.10479736328125	136.0
211.6699981689453	140.0
212.8617706298828	160.0
213.8967742919922	184.0
214.0120849609375	164.0
214.0674285888672	264.0
214.4268798828125	156.0
215.0848388671875	976.0
215.95089721679688	172.0
216.08592224121094	436.0
218.02072143554688	164.0
218.06216430664062	992.0
219.05223083496094	252.0
219.1153106689453	156.0
220.06927490234375	808.0
220.48739624023438	156.0
221.0048828125	152.0
221.06356811523438	2856.0
221.72149658203125	144.0
222.0702667236328	2300.0
223.0722198486328	708.0
223.5850372314453	192.0
223.6549835205078	188.0
224.09127807617188	256.0
224.7576446533203	168.0
225.0672149658203	156.0
225.199462890625	200.0
226.08518981933594	196.0
226.81817626953125	152.0
227.07235717773438	3584.0
227.78712463378906	176.0
228.0777587890625	1088.0
228.15042114257812	184.0
228.7556610107422	152.0
229.07955932617188	184.0
230.49888610839844	192.0
231.0582275390625	168.0
232.05809020996094	148.0
233.07696533203125	732.0
233.46356201171875	144.0
233.5639190673828	232.0
233.9849853515625	180.0
234.07098388671875	10184.0
234.23831176757812	144.0
235.0828857421875	1576.0
235.12387084960938	156.0
235.7529754638672	160.0
236.03114318847656	144.0
236.08518981933594	1592.0
236.2788848876953	160.0
236.33700561523438	192.0
236.78086853027344	156.0
236.91871643066406	144.0
237.0590057373047	560.0
237.08981323242188	604.0
237.81851196289062	116.0
238.0653839111328	2224.0
239.07003784179688	272.0
239.98899841308594	188.0
240.08248901367188	764.0
240.15684509277344	196.0
240.41159057617188	184.0
240.5597381591797	144.0
240.60604858398438	188.0
240.8685302734375	168.0
241.08404541015625	1072.0
241.8641815185547	164.0
242.04994201660156	184.0
242.09689331054688	2736.0
242.81536865234375	224.0
243.0986328125	548.0
244.06614685058594	264.0
244.09320068359375	116.0
245.07638549804688	604.0
246.07203674316406	1532.0
246.48875427246094	144.0
247.07955932617188	8468.0
247.1199951171875	172.0
247.5804901123047	220.0
247.65879821777344	252.0
248.08343505859375	1668.0
248.19781494140625	168.0
248.32952880859375	172.0
248.70602416992188	212.0
249.08880615234375	192.0
250.1040802001953	1648.0
251.10577392578125	584.0
251.75677490234375	152.0
252.11375427246094	200.0
254.03245544433594	152.0
254.4005584716797	148.0
255.07717895507812	216.0
255.9552459716797	172.0
256.120849609375	152.0
257.1092224121094	172.0
257.2911682128906	148.0
258.059814453125	144.0
258.5633239746094	140.0
258.8962707519531	140.0
259.0788269042969	144.0
260.08697509765625	912.0
261.0939636230469	1436.0
261.56982421875	168.0
261.9635925292969	252.0
262.1028747558594	21132.0
262.3921203613281	132.0
262.4018859863281	140.0
262.5921325683594	232.0
262.8598937988281	172.0
263.0470886230469	156.0
263.1054992675781	4704.0
264.1104736328125	492.0
265.07354736328125	128.0
265.5782775878906	164.0
265.95379638671875	156.0
267.5075378417969	220.0
268.11822509765625	120.0
268.4393310546875	240.0
269.5589904785156	164.0
273.1160888671875	152.0
275.3374938964844	152.0
275.6116638183594	152.0
277.11358642578125	188.0
280.11376953125	4460.0
280.4487609863281	120.0
280.6319274902344	248.0
280.8061828613281	160.0
281.1144714355469	660.0
282.1167297363281	268.0
282.24957275390625	144.0
283.78643798828125	148.0
285.2786560058594	176.0
285.9396667480469	164.0
286.862548828125	184.0
286.9704284667969	152.0
287.1554870605469	128.0
287.39202880859375	204.0
288.1685791015625	168.0
288.4389343261719	156.0
288.8920593261719	148.0
289.37261962890625	244.0
290.17559814453125	204.0
292.1398620605469	156.0
292.2950134277344	172.0
293.016845703125	228.0
293.1772766113281	208.0
294.17236328125	280.0
295.42120361328125	152.0
295.85675048828125	148.0
296.57073974609375	168.0
298.0704345703125	168.0
298.7942810058594	164.0
299.0470886230469	140.0
303.59710693359375	156.0
303.7115478515625	164.0
305.3822021484375	148.0
306.59375	140.0
307.08184814453125	180.0
307.1610412597656	2248.0
308.1605224609375	224.0
308.2010803222656	2784.0
308.2408752441406	140.0
308.9786071777344	140.0
309.2018127441406	800.0
310.21087646484375	176.0
310.2919006347656	224.0
313.53277587890625	140.0
313.6596374511719	232.0
314.1060485839844	188.0
316.0859069824219	140.0
320.0507507324219	224.0
321.3017272949219	156.0
322.18353271484375	144.0
322.7160339355469	152.0
322.9313049316406	140.0
323.16839599609375	168.0
323.3810119628906	120.0
323.7262268066406	112.0
323.7515869140625	140.0
323.8038635253906	252.0
323.8739318847656	120.0
324.08294677734375	180.0
324.1350402832031	216.0
324.19482421875	484.0
324.2789001464844	196.0
324.33538818359375	112.0
324.4088439941406	100.0
324.4488525390625	152.0
324.4811706542969	152.0
324.5205383300781	140.0
324.5903625488281	336.0
324.684814453125	192.0
324.7930908203125	228.0
324.8692932128906	144.0
324.89886474609375	116.0
324.96246337890625	132.0
325.03607177734375	208.0
325.0689697265625	284.0
325.10833740234375	268.0
325.1732177734375	173340.0
325.2884216308594	100.0
325.4029846191406	152.0
325.4773864746094	128.0
325.50323486328125	336.0
325.5602111816406	252.0
325.60833740234375	316.0
325.6650085449219	152.0
325.6991271972656	196.0
325.76361083984375	3424.0
325.82232666015625	124.0
325.8589782714844	136.0
325.9118347167969	164.0
326.029052734375	560.0
326.0634765625	288.0
326.17535400390625	43968.0
326.20977783203125	7624.0
326.4229736328125	144.0
326.61688232421875	144.0
326.6463928222656	124.0
326.7607116699219	120.0
326.8876037597656	140.0
326.94989013671875	128.0
326.9878234863281	136.0
327.0279541015625	156.0
327.05487060546875	168.0
327.12615966796875	112.0
327.1771545410156	5664.0
327.21295166015625	1352.0
327.3522644042969	132.0
327.565673828125	188.0
327.6162414550781	136.0
328.0155944824219	316.0
328.04669189453125	160.0
328.0982360839844	136.0
328.1429443359375	200.0
328.1849060058594	544.0
328.21990966796875	428.0
328.2709045410156	224.0
328.33062744140625	100.0
328.4068298339844	232.0
328.4508056640625	312.0
328.5019226074219	176.0
328.5587463378906	216.0
328.6507568359375	156.0
328.8198547363281	156.0
329.09356689453125	100.0
329.1645202636719	128.0
329.2105407714844	200.0
329.31884765625	168.0
329.4465637207031	152.0
329.60284423828125	140.0
329.95465087890625	164.0
333.1243591308594	160.0
337.4282531738281	172.0
340.9949035644531	176.0
349.4743347167969	152.0
350.1034240722656	156.0
362.4550476074219	188.0
393.3150939941406	188.0
419.4552001953125	156.0
463.4028625488281	176.0
480.8255920410156	144.0
653.2825927734375	140.0
699.25732421875	140.0
1080.3636474609375	164.0
1329.1680908203125	144.0
1341.4300537109375	204.0
1343.27490234375	260.0
1398.4962158203125	148.0
1487.5789794921875	184.0
1495.33447265625	200.0
1518.974365234375	96.0
1564.9075927734375	236.0
1570.9049072265625	200.0
1573.61181640625	164.0
1584.44677734375	140.0
1664.993408203125	184.0
1683.42236328125	168.0
1689.3643798828125	152.0
1725.0125732421875	144.0
1728.3951416015625	184.0
1753.09912109375	176.0
1770.84375	180.0
1772.1422119140625	196.0
1774.6650390625	156.0
1788.8544921875	164.0
1797.69580078125	180.0
1809.7578125	152.0
1823.1177978515625	168.0
1849.5399169921875	188.0
1875.9539794921875	140.0
1885.2149658203125	168.0
1892.6021728515625	184.0
1929.8858642578125	148.0
1944.5938720703125	180.0
1946.700927734375	156.0
1963.59765625	152.0
1984.386962890625	152.0
1991.5126953125	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079144
PEPMASS=345.185455
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_G2_H11_BD7_01_15731.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=FORMOTEROL FUMARATE DIHYDRATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1
INCHI=InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m0/s1
INCHIAUX=BPZSYCZIITTYBL-ORAYPTAESA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079144
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079144
SCANS=1040
45.5335693359375	144.0
46.07101821899414	180.0
46.326698303222656	164.0
46.75032043457031	208.0
46.9260368347168	164.0
47.282562255859375	164.0
47.37156295776367	208.0
47.589622497558594	176.0
47.633567810058594	260.0
48.054832458496094	176.0
48.07277297973633	152.0
48.22883605957031	196.0
48.46963882446289	156.0
48.63328170776367	200.0
48.838924407958984	160.0
48.946083068847656	148.0
49.07469940185547	136.0
49.114715576171875	156.0
49.34439468383789	144.0
49.552268981933594	156.0
49.71492385864258	184.0
49.90596389770508	140.0
50.20589828491211	168.0
50.39363479614258	176.0
50.43885803222656	260.0
50.98595428466797	168.0
51.16330337524414	164.0
51.37181854248047	188.0
51.50028610229492	208.0
51.64178466796875	152.0
51.74911117553711	196.0
52.30324935913086	144.0
52.57853698730469	192.0
52.75675582885742	208.0
53.05006790161133	176.0
53.384010314941406	276.0
53.66212463378906	240.0
53.82554626464844	248.0
53.841609954833984	140.0
54.205867767333984	184.0
54.23810958862305	144.0
54.41561508178711	184.0
54.59046936035156	164.0
54.63018035888672	200.0
54.8304328918457	172.0
54.858436584472656	156.0
55.01923751831055	188.0
55.029571533203125	216.0
55.0413818359375	180.0
55.41115188598633	140.0
55.525291442871094	144.0
55.637413024902344	144.0
56.088802337646484	168.0
56.76156997680664	148.0
56.7780647277832	164.0
57.2243537902832	188.0
58.04178237915039	184.0
58.29072570800781	172.0
58.3120002746582	156.0
58.351524353027344	184.0
59.709407806396484	176.0
60.04514694213867	180.0
60.19638442993164	212.0
60.268985748291016	160.0
60.648136138916016	168.0
60.75358200073242	176.0
60.838932037353516	168.0
61.2463493347168	188.0
61.85845184326172	180.0
61.928592681884766	156.0
62.40439987182617	240.0
63.40361404418945	156.0
63.578060150146484	264.0
63.58917236328125	148.0
63.60028076171875	152.0
63.697139739990234	188.0
63.74321365356445	176.0
63.887901306152344	172.0
63.986568450927734	276.0
64.16181945800781	144.0
64.62498474121094	176.0
64.73542785644531	148.0
64.75304412841797	160.0
64.9710464477539	152.0
65.14120483398438	180.0
65.75466918945312	160.0
65.78270721435547	152.0
65.82247161865234	176.0
66.44400024414062	152.0
66.57709503173828	200.0
66.66482543945312	192.0
66.77374267578125	160.0
67.0505142211914	220.0
67.5059814453125	164.0
67.55341339111328	144.0
68.00402069091797	164.0
68.18632507324219	192.0
68.48247528076172	152.0
68.56649780273438	144.0
68.7330551147461	152.0
69.41455841064453	172.0
69.68511199951172	204.0
69.89295196533203	184.0
70.5634536743164	196.0
71.65773010253906	180.0
72.02717590332031	160.0
72.78929901123047	168.0
73.7347640991211	164.0
74.58489227294922	148.0
74.80162048339844	156.0
75.28438568115234	236.0
75.42259979248047	180.0
75.43988800048828	156.0
75.73058319091797	200.0
76.5433349609375	244.0
76.72454071044922	140.0
76.79777526855469	180.0
77.03167724609375	160.0
77.0960922241211	180.0
77.19699096679688	120.0
77.52857208251953	172.0
77.66006469726562	184.0
77.92337799072266	152.0
78.17481994628906	200.0
78.18714141845703	144.0
78.58891296386719	168.0
78.61714172363281	140.0
78.77428436279297	144.0
78.80431365966797	200.0
79.37779998779297	176.0
79.41249084472656	256.0
79.51262664794922	148.0
79.94625091552734	168.0
80.94412994384766	152.0
81.74292755126953	180.0
81.94098663330078	184.0
81.98242950439453	172.0
82.3143539428711	200.0
83.26145935058594	244.0
83.80899810791016	160.0
84.29024505615234	232.0
84.36747741699219	152.0
84.7353286743164	172.0
84.89256286621094	184.0
85.10031127929688	244.0
85.30422973632812	156.0
85.37042236328125	264.0
85.42559814453125	196.0
85.48631286621094	144.0
85.66490936279297	140.0
85.77915954589844	160.0
87.12265014648438	148.0
87.38106536865234	160.0
87.39733123779297	156.0
88.4073257446289	220.0
88.53462219238281	148.0
88.9696273803711	216.0
89.05224609375	168.0
89.63355255126953	212.0
89.82396697998047	208.0
89.84283447265625	228.0
90.05613708496094	164.0
90.0958023071289	184.0
90.35291290283203	140.0
90.78097534179688	280.0
90.83218383789062	164.0
90.93084716796875	168.0
91.05487823486328	1440.0
91.0941390991211	140.0
91.1948471069336	180.0
91.2842025756836	176.0
91.41545867919922	164.0
92.0594711303711	340.0
92.09400939941406	152.0
92.18203735351562	184.0
93.0247573852539	192.0
93.04779052734375	144.0
93.06909942626953	148.0
93.0857162475586	256.0
93.22228240966797	204.0
93.45805358886719	184.0
94.04419708251953	216.0
94.36367797851562	168.0
95.9128646850586	200.0
96.05126953125	164.0
96.18199920654297	228.0
96.30892181396484	172.0
96.51020050048828	144.0
96.95668029785156	192.0
97.7695541381836	152.0
97.79317474365234	156.0
97.83844757080078	188.0
97.96054077148438	140.0
98.5873794555664	188.0
98.65121459960938	176.0
98.74019622802734	144.0
99.29869842529297	168.0
99.94829559326172	160.0
100.16529846191406	168.0
100.5022201538086	140.0
100.72581481933594	188.0
101.06367492675781	152.0
101.11370086669922	168.0
101.38806915283203	160.0
101.4061050415039	168.0
102.09673309326172	188.0
102.28585815429688	180.0
102.37645721435547	148.0
102.9087905883789	152.0
103.05369567871094	188.0
103.44048309326172	144.0
104.06285858154297	160.0
104.1562728881836	180.0
104.58123016357422	152.0
105.25806427001953	160.0
105.29890441894531	168.0
105.523681640625	184.0
106.0427474975586	316.0
106.06734466552734	388.0
106.87326049804688	240.0
107.04822540283203	552.0
107.09559631347656	140.0
107.11619567871094	180.0
107.22333526611328	192.0
108.06111907958984	412.0
108.11549377441406	168.0
108.13825988769531	216.0
108.36397552490234	176.0
109.00096893310547	156.0
109.06417846679688	1144.0
109.31288146972656	140.0
109.5606460571289	176.0
110.0340576171875	152.0
110.17189025878906	156.0
110.36207580566406	200.0
110.8309326171875	152.0
111.11397552490234	192.0
111.24618530273438	172.0
112.26874542236328	156.0
112.88960266113281	156.0
113.17738342285156	160.0
113.3404769897461	148.0
113.40829467773438	148.0
113.5206527709961	184.0
113.90480041503906	248.0
114.54507446289062	248.0
114.90961456298828	212.0
115.05511474609375	596.0
115.3025131225586	168.0
115.90597534179688	156.0
116.29842376708984	144.0
116.80121612548828	160.0
116.86518096923828	180.0
116.90448760986328	188.0
116.92385864257812	172.0
117.04225158691406	148.0
117.06990814208984	1268.0
117.2318115234375	228.0
117.3978042602539	140.0
117.77333068847656	272.0
118.01536560058594	216.0
118.07418060302734	176.0
118.21869659423828	160.0
118.3516616821289	224.0
118.5760269165039	148.0
119.0207290649414	152.0
119.04931640625	828.0
119.0826644897461	164.0
119.11474609375	152.0
119.1835708618164	132.0
119.23839569091797	196.0
119.9171142578125	152.0
120.16619110107422	160.0
120.35873413085938	212.0
120.40133666992188	184.0
120.6126937866211	180.0
120.70509338378906	164.0
120.84507751464844	140.0
120.88001251220703	324.0
120.95488739013672	224.0
121.0015869140625	204.0
121.01937866210938	132.0
121.0461654663086	368.0
121.06621551513672	91868.0
121.10160064697266	304.0
121.11914825439453	228.0
121.13935852050781	232.0
121.27421569824219	124.0
121.30901336669922	176.0
121.42549133300781	440.0
121.50186920166016	184.0
121.62471771240234	120.0
121.68792724609375	164.0
121.95249938964844	164.0
122.06884765625	11048.0
122.3955307006836	108.0
122.858154296875	96.0
122.9169692993164	156.0
122.99211883544922	200.0
123.07096862792969	460.0
123.55783081054688	184.0
123.84716033935547	176.0
123.88546752929688	184.0
124.67091369628906	256.0
124.75714111328125	116.0
125.01338195800781	172.0
125.22042083740234	144.0
125.50343322753906	148.0
126.7798080444336	140.0
127.00176239013672	168.0
127.08476257324219	148.0
127.2037124633789	156.0
127.34516906738281	164.0
127.3653793334961	196.0
127.84651184082031	160.0
128.142578125	148.0
128.53155517578125	168.0
128.8453826904297	144.0
129.06236267089844	148.0
129.29534912109375	192.0
129.864013671875	160.0
129.93434143066406	160.0
130.21707153320312	180.0
130.7887725830078	148.0
130.818359375	200.0
131.0210418701172	192.0
131.0817108154297	168.0
131.32192993164062	164.0
131.42686462402344	160.0
131.57521057128906	172.0
131.62193298339844	112.0
132.0452880859375	172.0
132.13514709472656	288.0
132.4029541015625	184.0
132.549560546875	200.0
132.8223876953125	204.0
133.06382751464844	308.0
133.0977783203125	196.0
133.73226928710938	156.0
133.9694366455078	176.0
134.06326293945312	3860.0
135.06820678710938	320.0
135.1121826171875	208.0
136.0353240966797	376.0
136.0744171142578	976.0
136.7108612060547	144.0
137.07830810546875	288.0
138.06390380859375	176.0
138.11770629882812	164.0
138.3095703125	160.0
138.33999633789062	148.0
138.69371032714844	192.0
138.72653198242188	184.0
139.38368225097656	144.0
139.51058959960938	188.0
140.4265594482422	160.0
140.82070922851562	168.0
140.9506378173828	160.0
141.22149658203125	96.0
141.51119995117188	156.0
141.57749938964844	220.0
142.1084747314453	156.0
142.6903533935547	148.0
143.37350463867188	160.0
143.4140167236328	156.0
143.46168518066406	144.0
143.6906280517578	148.0
144.05105590820312	204.0
144.23031616210938	152.0
144.40965270996094	140.0
144.5054473876953	160.0
144.63217163085938	144.0
144.64892578125	240.0
145.66563415527344	140.0
145.6824493408203	160.0
146.05970764160156	196.0
146.30810546875	192.0
146.63897705078125	184.0
147.08056640625	496.0
147.36647033691406	152.0
147.79200744628906	252.0
148.28768920898438	184.0
148.51040649414062	208.0
148.5655517578125	140.0
148.6077117919922	108.0
148.62217712402344	192.0
148.67161560058594	188.0
148.69102478027344	184.0
148.76141357421875	196.0
148.77841186523438	164.0
148.8172607421875	148.0
148.8538818359375	144.0
148.89613342285156	124.0
148.99681091308594	288.0
149.0200958251953	264.0
149.0498046875	108.0
149.0716552734375	240.0
149.09718322753906	192092.0
149.15557861328125	244.0
149.1799774169922	212.0
149.19927978515625	144.0
149.24365234375	244.0
149.2906951904297	128.0
149.32215881347656	108.0
149.36941528320312	208.0
149.40345764160156	216.0
149.44277954101562	120.0
149.47024536132812	160.0
149.49757385253906	172.0
149.5550079345703	100.0
149.6536407470703	148.0
149.71217346191406	116.0
149.77784729003906	160.0
150.1005401611328	14872.0
150.2807159423828	100.0
150.33718872070312	104.0
150.5454864501953	176.0
150.94776916503906	108.0
151.01806640625	124.0
151.0465850830078	144.0
151.09934997558594	520.0
151.16163635253906	320.0
151.2084503173828	284.0
151.2590789794922	136.0
151.2930908203125	148.0
151.3192596435547	140.0
151.3553009033203	100.0
151.4632568359375	140.0
151.7082977294922	196.0
151.97315979003906	164.0
152.06980895996094	612.0
152.1659393310547	104.0
152.6363525390625	144.0
156.1554412841797	184.0
157.76124572753906	140.0
158.07562255859375	132.0
158.59408569335938	100.0
160.6844940185547	172.0
161.07797241210938	152.0
162.05580139160156	728.0
162.0902862548828	144.0
162.45791625976562	144.0
163.06280517578125	300.0
163.81028747558594	212.0
164.06900024414062	144.0
164.1081085205078	1448.0
165.10592651367188	124.0
167.00479125976562	160.0
171.5987548828125	176.0
174.34722900390625	184.0
175.76394653320312	144.0
176.1068878173828	476.0
176.6886749267578	164.0
176.84075927734375	116.0
177.1097412109375	128.0
178.45767211914062	148.0
179.0191192626953	164.0
179.0818328857422	3228.0
180.0841064453125	440.0
180.16067504882812	148.0
180.8666229248047	168.0
181.2683563232422	168.0
181.68930053710938	152.0
182.46005249023438	144.0
182.6590576171875	164.0
186.4388885498047	188.0
186.89027404785156	272.0
187.25833129882812	192.0
188.23680114746094	212.0
189.59364318847656	212.0
190.12387084960938	116.0
190.20660400390625	164.0
195.3589324951172	192.0
196.68533325195312	164.0
196.85842895507812	196.0
197.05393981933594	148.0
197.0938720703125	472.0
197.6243133544922	188.0
201.68515014648438	172.0
205.8472442626953	152.0
206.85362243652344	176.0
208.1351318359375	148.0
208.25286865234375	164.0
208.9398956298828	160.0
209.74449157714844	216.0
209.7721405029297	368.0
210.91232299804688	236.0
212.10545349121094	140.0
212.3270721435547	156.0
213.57701110839844	204.0
213.96986389160156	164.0
214.7770538330078	140.0
216.0506591796875	180.0
216.4926300048828	152.0
218.01222229003906	140.0
220.38723754882812	200.0
220.9815216064453	144.0
221.46109008789062	260.0
222.6376495361328	152.0
226.20742797851562	164.0
226.58177185058594	176.0
226.9054412841797	208.0
227.5294647216797	176.0
230.26358032226562	200.0
230.65293884277344	208.0
231.28248596191406	148.0
234.62091064453125	236.0
235.72579956054688	160.0
235.9519805908203	164.0
237.54440307617188	204.0
239.81362915039062	244.0
242.55526733398438	140.0
242.7877960205078	220.0
244.39065551757812	156.0
244.82955932617188	152.0
245.4091339111328	140.0
245.51266479492188	220.0
248.22952270507812	156.0
248.7974090576172	152.0
249.90054321289062	148.0
252.5251007080078	180.0
252.6199951171875	164.0
253.12005615234375	164.0
255.77732849121094	156.0
256.0766296386719	200.0
256.1400451660156	136.0
256.4270935058594	156.0
256.8128662109375	152.0
261.0145568847656	288.0
261.4809875488281	140.0
262.3539123535156	172.0
263.244384765625	156.0
265.0364074707031	160.0
265.93792724609375	160.0
267.4493103027344	192.0
267.75860595703125	192.0
268.7006530761719	140.0
269.9516296386719	192.0
270.0628356933594	152.0
270.1380615234375	160.0
271.8384704589844	140.0
271.93035888671875	148.0
273.61993408203125	192.0
274.2181091308594	148.0
274.3546142578125	144.0
274.5854187011719	172.0
275.18267822265625	144.0
276.79290771484375	148.0
277.5351257324219	148.0
277.9663391113281	188.0
278.8497009277344	228.0
279.16552734375	192.0
279.9442138671875	148.0
280.7539978027344	140.0
281.999267578125	164.0
282.15301513671875	140.0
282.892333984375	176.0
283.3712463378906	156.0
283.8907775878906	168.0
284.1311340332031	208.0
284.169189453125	164.0
285.96697998046875	160.0
287.6906433105469	144.0
288.0051574707031	152.0
289.2173156738281	156.0
290.64404296875	196.0
292.09130859375	176.0
292.1253356933594	192.0
294.0076904296875	180.0
295.50616455078125	144.0
296.3552551269531	160.0
297.28448486328125	208.0
298.1567687988281	164.0
299.5295715332031	192.0
300.07061767578125	212.0
300.4568786621094	168.0
301.87298583984375	184.0
302.9632568359375	152.0
304.6387939453125	164.0
305.1774597167969	180.0
305.96722412109375	240.0
307.5184020996094	152.0
309.2414855957031	220.0
309.9858703613281	136.0
310.1346130371094	200.0
310.8114318847656	144.0
312.1497497558594	164.0
313.7235412597656	144.0
315.61236572265625	164.0
316.5960998535156	140.0
317.3544006347656	192.0
319.0443420410156	172.0
321.2221984863281	172.0
324.384765625	152.0
324.6065979003906	124.0
324.6402893066406	120.0
324.7182312011719	140.0
324.7505187988281	160.0
324.81866455078125	172.0
325.0375061035156	144.0
325.08056640625	160.0
325.15234375	168.0
325.3031005859375	172.0
325.6908874511719	156.0
325.73040771484375	188.0
326.0160827636719	100.0
326.0529479980469	264.0
326.1021728515625	196.0
326.1586608886719	256.0
326.40863037109375	184.0
326.51531982421875	156.0
326.5627136230469	128.0
326.63348388671875	128.0
326.6578063964844	180.0
326.6911926269531	128.0
326.7333679199219	204.0
326.85589599609375	204.0
326.93231201171875	200.0
327.02227783203125	180.0
327.0664367675781	288.0
327.1018981933594	276.0
327.1728820800781	164868.0
327.2583312988281	116.0
327.28472900390625	416.0
327.32464599609375	168.0
327.37091064453125	176.0
327.4132080078125	136.0
327.559814453125	240.0
327.5947265625	236.0
327.65576171875	228.0
327.6885070800781	120.0
327.7651672363281	1040.0
327.8725891113281	248.0
327.99407958984375	144.0
328.02685546875	192.0
328.0700988769531	120.0
328.1746826171875	27112.0
328.5011901855469	192.0
328.5628356933594	180.0
328.9696044921875	144.0
329.1777038574219	3752.0
329.48553466796875	148.0
329.67742919921875	116.0
329.7275695800781	188.0
330.0341491699219	236.0
330.0741882324219	120.0
330.1455383300781	152.0
330.1903991699219	220.0
330.2918395996094	156.0
330.39788818359375	248.0
330.4411315917969	160.0
330.49609375	160.0
330.5363464355469	112.0
330.8173522949219	100.0
330.9254455566406	104.0
331.0592956542969	104.0
331.2769470214844	120.0
331.35308837890625	124.0
331.43218994140625	108.0
331.4847412109375	160.0
332.30438232421875	156.0
333.8590087890625	200.0
334.7287292480469	148.0
336.6418762207031	136.0
337.5201416015625	172.0
337.75421142578125	156.0
338.3872985839844	264.0
338.7315368652344	176.0
340.9454650878906	136.0
341.42034912109375	172.0
341.8422546386719	164.0
342.1397399902344	160.0
343.0320739746094	120.0
343.41473388671875	108.0
343.8134765625	132.0
343.92718505859375	228.0
344.1819152832031	196.0
344.3000793457031	148.0
344.325927734375	144.0
344.40643310546875	164.0
344.4470520019531	116.0
344.5379638671875	228.0
344.62445068359375	192.0
344.67486572265625	200.0
344.7009582519531	112.0
344.768798828125	96.0
344.8014831542969	116.0
344.8855895996094	108.0
344.9242248535156	176.0
344.9903869628906	148.0
344.9990234375	264.0
345.0574035644531	188.0
345.1086120605469	212.0
345.1836853027344	169464.0
345.29248046875	172.0
345.373046875	180.0
345.4084167480469	172.0
345.42999267578125	140.0
345.4830017089844	152.0
345.5205078125	128.0
345.55218505859375	236.0
345.5811462402344	260.0
345.64495849609375	204.0
345.71942138671875	108.0
345.79132080078125	1044.0
345.84686279296875	176.0
345.95770263671875	264.0
346.1008605957031	208.0
346.1851501464844	33988.0
346.48944091796875	120.0
346.61663818359375	204.0
346.6645812988281	168.0
346.7260437011719	96.0
346.82952880859375	108.0
347.18646240234375	3912.0
347.3053283691406	124.0
347.35260009765625	140.0
347.6669006347656	176.0
347.9332580566406	148.0
348.0548400878906	104.0
348.19366455078125	816.0
348.2316589355469	144.0
348.2757568359375	160.0
348.3567810058594	376.0
348.5079345703125	140.0
348.67108154296875	108.0
348.75018310546875	116.0
349.1269836425781	148.0
349.5107116699219	124.0
349.69158935546875	160.0
350.5373840332031	112.0
350.8658142089844	100.0
351.96783447265625	108.0
357.11749267578125	172.0
360.0465087890625	96.0
360.6730651855469	160.0
368.9295349121094	144.0
461.14837646484375	144.0
820.3102416992188	152.0
1012.1535034179688	248.0
1077.0902099609375	160.0
1107.4989013671875	168.0
1160.50341796875	148.0
1162.8572998046875	160.0
1172.7943115234375	228.0
1177.03759765625	180.0
1188.5576171875	152.0
1200.119873046875	184.0
1228.046142578125	208.0
1235.54833984375	180.0
1238.8245849609375	216.0
1247.75830078125	144.0
1257.0909423828125	220.0
1280.4571533203125	168.0
1281.632568359375	212.0
1289.2392578125	168.0
1300.0206298828125	168.0
1328.7708740234375	148.0
1343.875	204.0
1344.28369140625	180.0
1351.6494140625	176.0
1354.804931640625	204.0
1369.66552734375	196.0
1372.112060546875	160.0
1394.318359375	164.0
1396.5562744140625	192.0
1400.8436279296875	172.0
1412.8101806640625	200.0
1415.0179443359375	184.0
1420.9912109375	160.0
1439.6358642578125	144.0
1445.4942626953125	156.0
1447.7728271484375	156.0
1455.9251708984375	156.0
1456.5404052734375	156.0
1456.5936279296875	176.0
1468.99365234375	176.0
1470.8173828125	168.0
1472.8179931640625	200.0
1488.794189453125	212.0
1496.2757568359375	148.0
1497.67724609375	196.0
1500.5772705078125	144.0
1510.977783203125	220.0
1513.415771484375	160.0
1514.4921875	208.0
1518.8948974609375	184.0
1527.2447509765625	176.0
1528.302734375	184.0
1532.390380859375	140.0
1535.165283203125	200.0
1537.045166015625	192.0
1541.79296875	160.0
1546.1412353515625	192.0
1558.82177734375	164.0
1559.859130859375	156.0
1562.1632080078125	160.0
1570.4576416015625	204.0
1573.6693115234375	148.0
1574.7432861328125	160.0
1575.959716796875	148.0
1584.9639892578125	180.0
1589.2774658203125	156.0
1589.6424560546875	164.0
1590.515380859375	200.0
1590.975830078125	156.0
1591.5474853515625	140.0
1592.1192626953125	176.0
1593.2232666015625	152.0
1597.2216796875	140.0
1601.9580078125	144.0
1610.8843994140625	184.0
1615.056884765625	180.0
1618.6021728515625	244.0
1619.9716796875	144.0
1627.711181640625	172.0
1628.61865234375	144.0
1630.880615234375	172.0
1635.7427978515625	204.0
1637.731689453125	204.0
1639.0931396484375	156.0
1640.640625	240.0
1655.7828369140625	140.0
1657.937744140625	232.0
1661.6839599609375	156.0
1666.0435791015625	152.0
1666.70166015625	168.0
1672.760498046875	172.0
1678.4635009765625	168.0
1680.135498046875	192.0
1683.8494873046875	272.0
1689.4075927734375	164.0
1689.988525390625	164.0
1691.248779296875	140.0
1696.7371826171875	208.0
1705.356201171875	152.0
1710.5382080078125	164.0
1710.6864013671875	168.0
1715.22509765625	212.0
1726.925048828125	140.0
1727.3138427734375	264.0
1738.04248046875	208.0
1739.885009765625	168.0
1742.4345703125	176.0
1747.9637451171875	152.0
1748.1551513671875	208.0
1750.4609375	252.0
1758.51416015625	152.0
1760.8267822265625	208.0
1763.6591796875	176.0
1769.858154296875	144.0
1771.0137939453125	180.0
1774.5584716796875	200.0
1774.927490234375	244.0
1775.3048095703125	180.0
1777.2005615234375	172.0
1780.054443359375	160.0
1784.40673828125	192.0
1790.3388671875	192.0
1793.7427978515625	208.0
1796.2303466796875	156.0
1807.8304443359375	144.0
1809.7943115234375	168.0
1815.3614501953125	204.0
1819.1114501953125	152.0
1823.2733154296875	280.0
1826.5042724609375	248.0
1828.3079833984375	212.0
1828.878173828125	196.0
1831.6710205078125	152.0
1832.4718017578125	144.0
1834.23583984375	148.0
1835.5572509765625	200.0
1842.1802978515625	160.0
1844.5643310546875	168.0
1848.6524658203125	144.0
1851.263427734375	172.0
1851.666015625	156.0
1854.029052734375	140.0
1856.6795654296875	172.0
1856.936767578125	148.0
1861.176025390625	216.0
1868.01708984375	248.0
1869.8497314453125	204.0
1870.3919677734375	196.0
1871.03759765625	156.0
1872.8546142578125	176.0
1878.7764892578125	156.0
1878.888671875	176.0
1881.8057861328125	200.0
1883.507080078125	148.0
1885.70166015625	196.0
1888.035888671875	152.0
1890.3197021484375	144.0
1890.830322265625	240.0
1892.6568603515625	192.0
1892.8992919921875	160.0
1897.239990234375	196.0
1899.295166015625	144.0
1903.4354248046875	240.0
1904.7115478515625	160.0
1906.3187255859375	156.0
1907.8223876953125	156.0
1911.5885009765625	140.0
1912.38916015625	172.0
1918.7393798828125	152.0
1920.003662109375	156.0
1922.280517578125	148.0
1923.8079833984375	148.0
1923.9039306640625	160.0
1925.1961669921875	152.0
1925.5543212890625	176.0
1927.528564453125	152.0
1929.669921875	144.0
1931.0166015625	160.0
1931.978759765625	180.0
1933.737548828125	176.0
1934.8492431640625	148.0
1936.2940673828125	144.0
1936.530517578125	200.0
1950.0595703125	348.0
1950.3232421875	180.0
1956.1990966796875	156.0
1958.3211669921875	200.0
1960.2769775390625	184.0
1961.65185546875	192.0
1961.9515380859375	140.0
1964.05029296875	204.0
1964.447265625	144.0
1971.2279052734375	148.0
1972.792236328125	160.0
1976.43603515625	164.0
1978.4627685546875	188.0
1985.3651123046875	212.0
1988.1507568359375	156.0
1989.730712890625	184.0
1990.0592041015625	180.0
1995.8701171875	148.0
2001.35107421875	200.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079145
PEPMASS=515.251282
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=35.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_G2_H11_BD7_01_15731.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Telmisartan aka 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCc1nc2c(C)cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C
INCHI=InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
INCHIAUX=RMMXLENWKUUMAY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079145
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079145
SCANS=1204
63.33861541748047	232.0
87.41264343261719	152.0
94.29402923583984	188.0
99.18760681152344	140.0
99.86070251464844	148.0
125.87821960449219	256.0
127.1340560913086	196.0
132.68472290039062	156.0
133.63784790039062	140.0
150.5704345703125	152.0
152.0631866455078	260.0
155.08685302734375	260.0
157.6436767578125	152.0
157.7261505126953	180.0
162.63037109375	192.0
164.9355010986328	184.0
165.0326385498047	204.0
165.0689239501953	224.0
166.7552947998047	204.0
167.06642150878906	200.0
167.29287719726562	140.0
175.74273681640625	156.0
176.0594940185547	148.0
179.6533660888672	156.0
183.07997131347656	412.0
193.0640106201172	540.0
193.20608520507812	200.0
194.0702362060547	340.0
198.3354949951172	192.0
204.04354858398438	316.0
207.49806213378906	180.0
207.97137451171875	160.0
209.7403106689453	176.0
211.076416015625	5552.0
211.9163818359375	232.0
212.08001708984375	832.0
213.08154296875	292.0
215.7405548095703	148.0
216.42515563964844	140.0
217.6742706298828	160.0
220.28370666503906	212.0
220.41961669921875	156.0
222.63836669921875	156.0
230.49000549316406	176.0
238.8528289794922	176.0
243.71580505371094	164.0
244.9290771484375	152.0
245.8051300048828	148.0
253.2484588623047	140.0
261.119140625	208.0
262.1217041015625	168.0
263.1861267089844	148.0
264.2397766113281	156.0
265.59710693359375	140.0
266.9123840332031	208.0
272.0778503417969	176.0
272.10125732421875	192.0
272.4917297363281	148.0
275.1269226074219	284.0
275.479736328125	188.0
275.763916015625	160.0
276.13720703125	5968.0
276.59130859375	176.0
277.1408386230469	1464.0
278.14508056640625	200.0
278.9834899902344	144.0
288.48651123046875	140.0
288.7746276855469	132.0
289.142578125	1360.0
289.21038818359375	236.0
290.14898681640625	328.0
291.16326904296875	156.0
294.8084411621094	200.0
301.872802734375	160.0
302.5648193359375	184.0
303.1614685058594	700.0
304.16436767578125	696.0
304.82275390625	176.0
305.1768493652344	3940.0
306.1784362792969	744.0
307.1783447265625	264.0
308.1272888183594	240.0
317.17572021484375	704.0
318.1797790527344	232.0
323.6680603027344	188.0
334.78680419921875	168.0
349.7314147949219	152.0
356.2189636230469	152.0
364.1548767089844	220.0
364.8008117675781	140.0
365.7251281738281	144.0
382.93280029296875	140.0
392.53033447265625	176.0
393.1378173828125	188.0
403.8449401855469	200.0
412.23126220703125	188.0
421.5737609863281	184.0
427.1044616699219	140.0
427.1744079589844	140.0
432.67120361328125	200.0
433.12445068359375	168.0
435.3788146972656	148.0
437.3661193847656	180.0
442.1972961425781	120.0
448.3857727050781	196.0
449.8324890136719	156.0
451.958251953125	144.0
455.1869812011719	164.0
459.4913024902344	156.0
459.9479064941406	228.0
464.8948974609375	128.0
465.63385009765625	140.0
467.1844787597656	304.0
468.19622802734375	372.0
469.1966552734375	220.0
470.4417724609375	148.0
471.1692199707031	120.0
471.2603454589844	132.0
474.7528076171875	140.0
480.2457275390625	148.0
485.1971740722656	232.0
485.3272705078125	148.0
495.2238464355469	176.0
495.5794372558594	204.0
495.9605407714844	160.0
497.15496826171875	376.0
497.2349548339844	22860.0
497.31494140625	240.0
497.4415588378906	116.0
497.5086669921875	160.0
497.5703125	104.0
497.9837646484375	172.0
498.1148681640625	164.0
498.14813232421875	192.0
498.23712158203125	7912.0
499.2385559082031	1252.0
499.31707763671875	240.0
500.23187255859375	188.0
500.2750549316406	128.0
501.2090148925781	224.0
506.1223449707031	152.0
513.059326171875	260.0
514.0223999023438	120.0
514.1674194335938	148.0
514.44873046875	256.0
514.767822265625	152.0
514.822998046875	280.0
514.8794555664062	112.0
514.9439086914062	212.0
515.1018676757812	208.0
515.2459106445312	63396.0
515.386962890625	268.0
515.4324951171875	120.0
515.496826171875	132.0
515.6502075195312	184.0
515.696044921875	272.0
515.755859375	128.0
515.9810180664062	160.0
516.0698852539062	244.0
516.14990234375	228.0
516.2484130859375	23896.0
516.3689575195312	172.0
516.4357299804688	268.0
516.59765625	160.0
516.7869262695312	220.0
517.0408325195312	220.0
517.248046875	3844.0
517.590576171875	120.0
517.6453247070312	144.0
517.9110107421875	140.0
518.2061157226562	112.0
518.2515258789062	612.0
518.5274658203125	216.0
518.7808837890625	180.0
518.9856567382812	112.0
519.115234375	176.0
519.1636962890625	112.0
519.2171020507812	152.0
519.2617797851562	164.0
519.5034790039062	164.0
520.3015747070312	140.0
713.9283447265625	140.0
1090.7911376953125	148.0
1836.88671875	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079147
PEPMASS=326.217773
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_G2_H11_BD7_01_15731.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Ifenprodil [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C(O)c1ccc(O)cc1)N2CCC(Cc3ccccc3)CC2
INCHI=InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
INCHIAUX=UYNVMODNBIQBMV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079147
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079147
SCANS=1124
45.058650970458984	108.0
45.48246383666992	140.0
45.7647819519043	172.0
46.348289489746094	144.0
47.06785202026367	156.0
47.08560562133789	140.0
47.15391540527344	172.0
47.19355773925781	152.0
47.531883239746094	188.0
47.5758056640625	164.0
47.90447235107422	168.0
48.25224685668945	180.0
48.38921356201172	196.0
48.92510986328125	156.0
49.13554763793945	164.0
49.449893951416016	176.0
49.56240463256836	148.0
50.893524169921875	140.0
50.9702262878418	212.0
51.824928283691406	196.0
52.02284240722656	232.0
52.17224884033203	140.0
52.205318450927734	156.0
52.576995849609375	148.0
53.440643310546875	144.0
54.7169075012207	188.0
55.15208053588867	144.0
55.627567291259766	156.0
55.7761116027832	212.0
56.242332458496094	160.0
56.45149230957031	156.0
56.54574203491211	176.0
57.31462097167969	172.0
58.03864288330078	228.0
58.5735969543457	168.0
59.22429656982422	180.0
60.46681213378906	156.0
61.04702377319336	224.0
62.00400161743164	192.0
62.29584503173828	164.0
62.42787170410156	140.0
62.55531311035156	172.0
62.64034652709961	180.0
63.310028076171875	160.0
64.6088638305664	164.0
64.86347961425781	156.0
65.96129608154297	156.0
65.99686431884766	176.0
66.2947006225586	152.0
67.44071960449219	152.0
67.54838562011719	152.0
67.6678466796875	204.0
69.08318328857422	144.0
69.19572448730469	184.0
69.33320617675781	160.0
69.61854553222656	172.0
69.8345947265625	172.0
69.91278839111328	144.0
69.9327621459961	152.0
70.23934936523438	180.0
70.26270294189453	156.0
71.06578063964844	188.0
71.25885772705078	180.0
71.39164733886719	200.0
71.79076385498047	148.0
71.89197540283203	200.0
73.04690551757812	116.0
73.23983764648438	196.0
73.29265594482422	168.0
73.39883422851562	212.0
73.48873138427734	140.0
74.47135162353516	164.0
74.90652465820312	144.0
75.54350280761719	156.0
76.18665313720703	212.0
76.46659851074219	140.0
76.54842376708984	148.0
76.61112213134766	176.0
77.32703399658203	140.0
78.2204360961914	164.0
78.54818725585938	144.0
78.56053924560547	148.0
78.86248016357422	180.0
79.3351058959961	144.0
80.09387969970703	180.0
80.12593841552734	164.0
80.30598449707031	160.0
80.63092041015625	188.0
80.8705825805664	184.0
81.0711669921875	192.0
81.19486236572266	140.0
81.3150634765625	180.0
81.57371520996094	144.0
82.35392761230469	180.0
82.88102722167969	272.0
83.07616424560547	200.0
83.1015625	172.0
83.1396713256836	172.0
84.11705780029297	204.0
84.23757934570312	164.0
84.62711334228516	184.0
85.26180267333984	152.0
85.84906005859375	220.0
85.86565399169922	176.0
86.05572509765625	232.0
86.29036712646484	188.0
86.52532958984375	220.0
87.37159729003906	192.0
87.92874145507812	144.0
88.22199249267578	188.0
89.07462310791016	164.0
90.79598236083984	160.0
91.01702117919922	108.0
91.05525970458984	676.0
91.18327331542969	164.0
91.33348083496094	200.0
91.54092407226562	152.0
92.0615234375	204.0
92.1267318725586	224.0
92.625732421875	160.0
94.510498046875	164.0
94.65179443359375	252.0
94.89787292480469	212.0
96.7115249633789	140.0
96.74871063232422	184.0
97.88748931884766	196.0
97.9682388305664	148.0
98.04508209228516	184.0
98.0947494506836	736.0
98.17125701904297	180.0
98.38434600830078	172.0
98.70441436767578	148.0
99.54459381103516	144.0
99.81682586669922	148.0
100.89948272705078	140.0
101.23162841796875	212.0
101.3137435913086	144.0
101.74290466308594	168.0
102.39842224121094	168.0
102.43266296386719	148.0
103.02977752685547	176.0
103.05384826660156	920.0
103.84147644042969	228.0
103.8909912109375	176.0
104.06063079833984	144.0
104.28611755371094	168.0
104.5945816040039	220.0
104.72152709960938	172.0
105.07085418701172	6400.0
105.79353332519531	160.0
106.0434341430664	216.0
106.07347106933594	944.0
106.7804946899414	140.0
106.79900360107422	168.0
107.05014038085938	4736.0
107.24580383300781	216.0
107.70179748535156	200.0
108.05443572998047	164.0
108.08161926269531	168.0
108.69552612304688	192.0
109.06494140625	2420.0
109.09637451171875	164.0
109.91488647460938	164.0
110.07533264160156	324.0
110.09720611572266	340.0
110.52360534667969	160.0
110.67991638183594	148.0
111.09976959228516	164.0
111.21449279785156	168.0
111.24765014648438	176.0
111.28166961669922	148.0
112.49851989746094	188.0
112.71898651123047	168.0
115.05492401123047	892.0
115.266845703125	136.0
115.35145568847656	224.0
115.71727752685547	156.0
116.06144714355469	268.0
116.09654235839844	224.0
117.02265930175781	180.0
117.07015228271484	3412.0
117.13033294677734	156.0
117.20789337158203	160.0
118.07362365722656	272.0
118.17225646972656	136.0
118.23362731933594	156.0
118.46096801757812	172.0
118.49129486083984	172.0
118.93801879882812	144.0
119.04885864257812	152.0
119.08566284179688	212.0
119.8644790649414	164.0
120.05623626708984	1880.0
121.06401062011719	572.0
121.18421936035156	140.0
121.56135559082031	204.0
121.71062469482422	160.0
122.06878662109375	244.0
122.17216491699219	224.0
122.66764068603516	264.0
122.75141906738281	192.0
123.10669708251953	172.0
124.5551528930664	228.0
124.86631774902344	164.0
125.73072814941406	204.0
126.7213134765625	160.0
127.05536651611328	156.0
127.88678741455078	152.0
128.05999755859375	176.0
128.42979431152344	232.0
128.57644653320312	196.0
129.0686798095703	728.0
129.16342163085938	176.0
129.65138244628906	140.0
129.6801300048828	140.0
130.0749969482422	292.0
130.65426635742188	176.0
131.04884338378906	556.0
131.08551025390625	2824.0
132.05471801757812	164.0
132.08615112304688	632.0
132.4164581298828	296.0
132.5264129638672	148.0
132.66390991210938	164.0
132.70059204101562	168.0
133.06512451171875	12224.0
133.10963439941406	148.0
133.20962524414062	232.0
133.55026245117188	144.0
133.7036895751953	180.0
133.73663330078125	156.0
133.9691925048828	144.0
134.06924438476562	972.0
134.10745239257812	216.0
134.61038208007812	168.0
134.9639129638672	140.0
135.080810546875	4676.0
135.73033142089844	316.0
136.08326721191406	736.0
137.06687927246094	164.0
137.09017944335938	200.0
137.5496368408203	156.0
137.57064819335938	156.0
137.65003967285156	204.0
137.86727905273438	148.0
138.7028350830078	156.0
138.98190307617188	172.0
140.15756225585938	180.0
140.29190063476562	156.0
141.42572021484375	176.0
141.80467224121094	188.0
142.07736206054688	320.0
142.4738311767578	140.0
143.0350341796875	168.0
143.0613250732422	212.0
143.08871459960938	144.0
143.89801025390625	140.0
144.09339904785156	136.0
144.55531311035156	184.0
145.05795288085938	124.0
145.0719757080078	388.0
145.10301208496094	428.0
146.06219482421875	188.0
146.1041259765625	124.0
146.14137268066406	204.0
146.4085693359375	164.0
147.07199096679688	140.0
147.31546020507812	216.0
148.0095672607422	144.0
148.07504272460938	408.0
148.21788024902344	224.0
148.6106719970703	140.0
149.0817413330078	320.0
149.15940856933594	180.0
150.09176635742188	1552.0
150.69482421875	180.0
150.9844207763672	176.0
151.02972412109375	140.0
151.07530212402344	4760.0
151.20098876953125	192.0
151.7374267578125	176.0
151.8306121826172	140.0
152.07859802246094	584.0
153.0100555419922	180.0
153.08883666992188	264.0
153.24156188964844	152.0
153.35244750976562	176.0
154.63180541992188	168.0
154.78439331054688	176.0
155.04539489746094	156.0
155.97862243652344	152.0
156.52096557617188	164.0
157.1038055419922	248.0
157.26885986328125	236.0
158.28636169433594	144.0
158.8552703857422	176.0
159.07958984375	376.0
159.11886596679688	352.0
159.70372009277344	160.0
160.0752716064453	240.0
160.11566162109375	248.0
160.853271484375	172.0
161.0098114013672	192.0
161.0818634033203	120.0
161.15884399414062	180.0
161.53807067871094	164.0
161.5861358642578	140.0
161.60890197753906	140.0
161.8291015625	148.0
162.09141540527344	1388.0
162.80787658691406	144.0
162.92218017578125	176.0
163.00347900390625	160.0
163.03651428222656	152.0
163.0983123779297	228.0
163.64955139160156	156.0
164.51124572753906	172.0
165.06822204589844	144.0
165.1116943359375	140.0
165.61077880859375	188.0
165.71067810058594	192.0
166.50843811035156	152.0
169.55014038085938	176.0
169.76271057128906	140.0
172.1143798828125	184.0
172.2404022216797	168.0
173.08963012695312	184.0
173.120361328125	120.0
173.48257446289062	120.0
174.09458923339844	176.0
174.12791442871094	9676.0
174.19276428222656	132.0
174.51634216308594	156.0
175.01766967773438	172.0
175.0966796875	404.0
175.131591796875	576.0
175.1862335205078	224.0
175.465576171875	152.0
175.518310546875	148.0
175.9158172607422	164.0
176.03421020507812	172.0
176.10768127441406	612.0
176.14442443847656	61624.0
176.2725067138672	104.0
176.40744018554688	104.0
176.47802734375	128.0
176.51907348632812	176.0
176.607421875	108.0
176.6529083251953	104.0
176.88479614257812	240.0
177.14700317382812	6392.0
178.01361083984375	220.0
178.14849853515625	604.0
178.3036651611328	244.0
178.34303283691406	144.0
178.58590698242188	116.0
179.46644592285156	160.0
180.1870574951172	180.0
180.6522216796875	172.0
181.79092407226562	156.0
182.96011352539062	152.0
183.7875213623047	176.0
184.05203247070312	164.0
185.19325256347656	160.0
186.1305389404297	1080.0
186.48745727539062	160.0
186.54725646972656	160.0
187.10023498535156	308.0
187.1336212158203	284.0
187.3570098876953	100.0
187.48355102539062	140.0
188.11004638671875	120.0
188.14630126953125	332.0
188.76930236816406	144.0
189.1146697998047	568.0
189.14706420898438	148.0
189.78517150878906	244.0
191.75656127929688	140.0
192.9901123046875	224.0
193.9701385498047	184.0
194.17530822753906	144.0
194.64706420898438	156.0
195.06936645507812	156.0
195.55056762695312	176.0
195.89703369140625	148.0
196.08139038085938	164.0
198.2007293701172	164.0
198.8537139892578	132.0
199.05064392089844	168.0
199.71107482910156	152.0
200.1105499267578	200.0
200.1431427001953	408.0
201.11305236816406	276.0
202.03257751464844	144.0
202.12075805664062	1208.0
202.158203125	568.0
203.16432189941406	112.0
203.5091552734375	236.0
204.4443359375	180.0
204.52403259277344	228.0
204.9654541015625	164.0
208.28121948242188	144.0
209.70545959472656	140.0
210.03578186035156	120.0
211.0940704345703	168.0
212.72523498535156	168.0
213.742431640625	152.0
213.87921142578125	364.0
214.1610870361328	388.0
214.3714141845703	144.0
214.47341918945312	140.0
215.1355743408203	148.0
215.23483276367188	140.0
215.50062561035156	184.0
216.1371612548828	600.0
216.8672332763672	152.0
217.1475372314453	196.0
218.02944946289062	160.0
219.1182861328125	100.0
219.40403747558594	188.0
221.0975799560547	156.0
223.11349487304688	180.0
224.2923126220703	248.0
224.4413604736328	160.0
224.65013122558594	148.0
225.43836975097656	172.0
226.66824340820312	148.0
226.7491455078125	148.0
227.39096069335938	152.0
229.1525115966797	148.0
229.81214904785156	168.0
231.64845275878906	164.0
232.00808715820312	160.0
232.16989135742188	828.0
232.41273498535156	160.0
232.5004425048828	140.0
233.01055908203125	156.0
233.18072509765625	144.0
233.9624481201172	160.0
234.4833221435547	148.0
234.9986572265625	140.0
235.48402404785156	160.0
236.00657653808594	196.0
236.51783752441406	196.0
237.29556274414062	184.0
237.65133666992188	160.0
238.15171813964844	172.0
238.1843719482422	216.0
238.32989501953125	140.0
238.90481567382812	152.0
239.23101806640625	148.0
239.94573974609375	180.0
240.0166473388672	204.0
240.6645965576172	152.0
241.0507049560547	200.0
241.38455200195312	200.0
242.1179656982422	148.0
242.2449493408203	180.0
242.83697509765625	176.0
242.8834991455078	148.0
244.02847290039062	168.0
244.07916259765625	152.0
245.47103881835938	156.0
245.9171600341797	156.0
246.7314453125	176.0
247.07139587402344	176.0
249.72706604003906	160.0
250.12844848632812	204.0
250.20220947265625	224.0
250.7692108154297	184.0
250.936279296875	188.0
251.12547302246094	164.0
251.62599182128906	156.0
253.52188110351562	164.0
253.62646484375	168.0
253.74058532714844	192.0
254.1529083251953	236.0
254.4575958251953	184.0
254.75611877441406	160.0
254.84190368652344	200.0
256.7007751464844	176.0
256.76776123046875	168.0
257.1825256347656	208.0
257.3932189941406	152.0
257.7094421386719	168.0
258.0833740234375	160.0
258.18890380859375	196.0
258.505615234375	236.0
258.87347412109375	140.0
258.94097900390625	204.0
259.197265625	212.0
259.42803955078125	160.0
261.1634216308594	224.0
261.34857177734375	156.0
261.55133056640625	192.0
261.651123046875	144.0
261.8056640625	232.0
262.1793518066406	164.0
262.4920654296875	172.0
262.85009765625	196.0
265.045654296875	144.0
265.2724914550781	164.0
267.1559753417969	168.0
267.8753662109375	180.0
268.88287353515625	160.0
269.2648620605469	164.0
270.6317443847656	164.0
271.0148620605469	136.0
271.4181213378906	172.0
271.64984130859375	196.0
274.4595947265625	152.0
275.0171203613281	172.0
275.1722717285156	160.0
276.1768493652344	160.0
276.8023376464844	216.0
276.8288269042969	140.0
277.23297119140625	240.0
277.34234619140625	152.0
278.0277099609375	204.0
278.1542053222656	460.0
279.1250915527344	184.0
279.1524353027344	144.0
280.1688537597656	416.0
280.2463684082031	184.0
280.48675537109375	152.0
281.73809814453125	164.0
282.2762145996094	284.0
282.798095703125	156.0
283.1596984863281	144.0
283.64886474609375	152.0
283.97076416015625	156.0
284.25927734375	144.0
285.8183898925781	168.0
286.04052734375	144.0
286.7511901855469	192.0
287.09844970703125	144.0
287.35479736328125	168.0
288.60784912109375	208.0
290.1716003417969	172.0
290.948974609375	184.0
291.1492919921875	140.0
291.2240295410156	156.0
291.9479064941406	164.0
292.1679382324219	2416.0
293.1223449707031	152.0
293.177978515625	16984.0
293.2457275390625	108.0
293.28814697265625	232.0
293.859375	96.0
293.957763671875	160.0
294.0498962402344	204.0
294.1318359375	168.0
294.18072509765625	2984.0
294.5456848144531	132.0
294.8046569824219	172.0
295.00286865234375	168.0
295.1882629394531	332.0
295.46673583984375	144.0
296.02587890625	144.0
296.0852355957031	120.0
297.4212341308594	212.0
298.5014343261719	132.0
298.6409912109375	176.0
298.8576965332031	172.0
300.0887451171875	180.0
301.150146484375	168.0
301.50946044921875	168.0
302.3221435546875	208.0
302.5194396972656	248.0
303.2849426269531	188.0
303.5345458984375	144.0
304.1715393066406	112.0
306.18572998046875	288.0
306.6979064941406	96.0
306.8937683105469	120.0
307.1767883300781	108.0
307.2340087890625	140.0
307.295166015625	148.0
307.3606872558594	116.0
307.493408203125	160.0
307.74755859375	164.0
307.8231201171875	116.0
307.9320068359375	104.0
308.0101623535156	176.0
308.070556640625	244.0
308.2015075683594	126876.0
308.34246826171875	172.0
308.47259521484375	208.0
308.4873046875	152.0
308.4975280761719	224.0
308.5565185546875	124.0
308.5932922363281	156.0
308.8230285644531	124.0
308.85137939453125	232.0
308.97607421875	136.0
309.20440673828125	26656.0
309.2876281738281	224.0
309.5370788574219	100.0
309.573486328125	152.0
309.6309509277344	108.0
309.7121887207031	132.0
309.8002624511719	220.0
309.84320068359375	148.0
310.1415100097656	152.0
310.2071838378906	2464.0
310.28125	296.0
310.7167663574219	112.0
310.7740173339844	96.0
311.0987548828125	128.0
311.21533203125	408.0
311.3528137207031	312.0
311.3887023925781	236.0
311.585205078125	112.0
311.9490051269531	112.0
311.993896484375	124.0
312.02001953125	172.0
312.2037353515625	140.0
312.2967529296875	132.0
312.4462890625	184.0
313.1274719238281	140.0
313.1591796875	156.0
316.81866455078125	152.0
320.4566345214844	188.0
321.1767272949219	172.0
321.7476806640625	220.0
322.1440734863281	196.0
322.6336669921875	144.0
322.71307373046875	160.0
323.8675842285156	116.0
324.111572265625	128.0
324.1942138671875	160.0
324.24859619140625	156.0
324.4895324707031	176.0
324.5882263183594	96.0
324.70361328125	96.0
324.7555847167969	124.0
325.0026550292969	220.0
325.0495300292969	208.0
325.0877685546875	116.0
325.16107177734375	228.0
325.3271789550781	168.0
325.3683166503906	196.0
325.4499816894531	208.0
325.5245056152344	124.0
325.5604248046875	128.0
325.6550598144531	248.0
325.69610595703125	312.0
325.74737548828125	116.0
325.8125915527344	124.0
325.8741149902344	216.0
325.9093017578125	120.0
325.9595642089844	160.0
326.0559387207031	232.0
326.0772399902344	264.0
326.1047058105469	232.0
326.21380615234375	217996.0
326.3223876953125	160.0
326.3473815917969	140.0
326.4160461425781	128.0
326.48046875	168.0
326.5343933105469	172.0
326.5970458984375	320.0
326.6689758300781	248.0
326.7251892089844	164.0
326.7357177734375	288.0
326.8035583496094	3152.0
326.8550109863281	296.0
326.9230651855469	188.0
326.9557189941406	116.0
327.0162353515625	124.0
327.1497802734375	180.0
327.21563720703125	52544.0
327.31732177734375	144.0
327.3621520996094	188.0
327.4104919433594	180.0
327.53179931640625	108.0
327.6238708496094	200.0
327.67230224609375	128.0
327.7876892089844	128.0
327.8426208496094	108.0
327.924072265625	172.0
328.0142822265625	128.0
328.2171936035156	8024.0
328.2744445800781	332.0
328.5325622558594	100.0
328.7911376953125	124.0
328.8810119628906	244.0
328.93438720703125	104.0
329.01190185546875	104.0
329.03802490234375	372.0
329.09112548828125	196.0
329.1261291503906	396.0
329.2231750488281	788.0
329.28253173828125	184.0
329.31097412109375	192.0
329.3475036621094	264.0
329.4113464355469	276.0
329.4610290527344	120.0
329.52642822265625	100.0
329.59185791015625	176.0
329.6394958496094	124.0
329.6954345703125	188.0
329.7278137207031	128.0
329.96795654296875	128.0
330.0184631347656	132.0
330.1464538574219	148.0
330.21478271484375	128.0
330.2806091308594	220.0
330.3721618652344	108.0
330.42547607421875	176.0
330.6390686035156	128.0
330.9658508300781	124.0
333.3632507324219	96.0
334.16143798828125	104.0
334.455078125	140.0
338.7372741699219	104.0
400.83831787109375	140.0
435.9432067871094	148.0
443.9332275390625	140.0
460.728759765625	168.0
610.6644287109375	100.0
1057.7529296875	104.0
1242.937744140625	232.0
1283.547607421875	148.0
1329.06591796875	152.0
1416.355712890625	168.0
1418.4462890625	160.0
1450.40673828125	148.0
1480.3406982421875	260.0
1492.033935546875	148.0
1513.513671875	188.0
1517.4805908203125	168.0
1531.888916015625	180.0
1583.5113525390625	236.0
1608.326171875	168.0
1611.19287109375	156.0
1615.3258056640625	144.0
1627.7803955078125	148.0
1633.092529296875	268.0
1652.2506103515625	164.0
1662.4111328125	212.0
1667.2510986328125	144.0
1668.0069580078125	220.0
1674.5406494140625	168.0
1698.9892578125	184.0
1712.156982421875	204.0
1718.5372314453125	140.0
1720.088623046875	220.0
1727.128662109375	216.0
1733.6444091796875	160.0
1737.1597900390625	184.0
1747.9188232421875	144.0
1748.226806640625	148.0
1752.1068115234375	164.0
1761.6253662109375	208.0
1761.9261474609375	184.0
1762.33544921875	164.0
1771.1612548828125	204.0
1780.294677734375	180.0
1781.9493408203125	172.0
1782.403076171875	180.0
1796.328125	208.0
1797.7708740234375	172.0
1806.1689453125	204.0
1806.744140625	192.0
1814.5185546875	140.0
1825.9820556640625	160.0
1834.86328125	152.0
1842.2109375	144.0
1855.75	176.0
1861.6104736328125	208.0
1862.203125	164.0
1863.23388671875	152.0
1876.8583984375	156.0
1885.940185546875	144.0
1895.9537353515625	188.0
1900.098388671875	144.0
1900.931396484375	192.0
1901.9207763671875	140.0
1903.5528564453125	180.0
1906.16748046875	144.0
1921.7796630859375	160.0
1941.0137939453125	172.0
1941.75927734375	184.0
1946.840576171875	164.0
1952.39453125	164.0
1953.7403564453125	140.0
1975.34423828125	180.0
1976.6270751953125	176.0
1980.6109619140625	152.0
1982.639892578125	176.0
1985.804931640625	140.0
1998.9351806640625	240.0
1999.5491943359375	244.0
1999.86962890625	220.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079148
PEPMASS=310.137604
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Zacopride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cc(N)c(Cl)cc1C(=O)NC2CN3CCC2CC3
INCHI=InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
INCHIAUX=FEROPKNOYKURCJ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079148
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079148
SCANS=1026
45.0259895324707	148.0
45.251976013183594	148.0
45.29616928100586	156.0
45.34976577758789	244.0
45.518802642822266	164.0
45.936607360839844	196.0
46.2008056640625	148.0
46.524696350097656	160.0
46.64967727661133	140.0
47.14170837402344	208.0
47.22351837158203	200.0
47.41404342651367	156.0
47.536094665527344	196.0
47.72015380859375	172.0
48.123287200927734	140.0
48.3104248046875	152.0
48.794429779052734	164.0
49.04082107543945	168.0
49.163551330566406	172.0
49.19286346435547	188.0
49.6588134765625	224.0
49.67143630981445	196.0
49.80197525024414	200.0
50.11991500854492	232.0
50.170654296875	144.0
50.33714294433594	144.0
50.88510513305664	200.0
51.283416748046875	152.0
51.30194854736328	140.0
51.680416107177734	176.0
52.01433563232422	144.0
52.084693908691406	204.0
52.43864822387695	152.0
53.369476318359375	156.0
53.45384216308594	268.0
53.70004653930664	168.0
53.821170806884766	176.0
54.67580032348633	156.0
55.134456634521484	236.0
55.37116622924805	144.0
56.10166549682617	256.0
56.48301315307617	148.0
58.069087982177734	184.0
58.240596771240234	188.0
58.40779495239258	156.0
58.55543518066406	164.0
58.576759338378906	152.0
59.000999450683594	140.0
59.28416442871094	168.0
59.41756057739258	160.0
59.43444061279297	188.0
59.44978332519531	180.0
59.55418395996094	144.0
59.92029571533203	220.0
60.44770431518555	196.0
60.485504150390625	164.0
60.63264465332031	144.0
60.660545349121094	200.0
60.97096633911133	168.0
61.050254821777344	156.0
62.93064880371094	144.0
63.004878997802734	176.0
63.09021759033203	144.0
63.448001861572266	232.0
63.60028839111328	168.0
64.32614135742188	160.0
64.60259246826172	208.0
64.84117126464844	188.0
65.83055877685547	160.0
65.98890686035156	188.0
66.07947540283203	160.0
66.18954467773438	164.0
66.41481018066406	144.0
66.92509460449219	172.0
67.2021713256836	140.0
67.21522521972656	160.0
68.26195526123047	276.0
69.15943908691406	164.0
69.18592071533203	156.0
70.19612121582031	144.0
70.29954528808594	140.0
70.75920867919922	156.0
70.95858001708984	216.0
71.32621765136719	152.0
71.42878723144531	212.0
71.7841567993164	208.0
71.9714584350586	168.0
72.3095474243164	184.0
72.36540985107422	140.0
72.70612335205078	152.0
73.18719482421875	164.0
73.34221649169922	268.0
73.43428802490234	180.0
73.47693634033203	180.0
73.9622573852539	196.0
73.9930648803711	164.0
74.0657730102539	128.0
74.676025390625	148.0
75.50386810302734	152.0
75.53500366210938	144.0
75.82068634033203	236.0
75.87788391113281	164.0
76.45108795166016	140.0
76.4893798828125	160.0
77.20646667480469	188.0
77.26768493652344	204.0
77.28168487548828	212.0
77.57111358642578	112.0
78.24699401855469	188.0
78.52188873291016	152.0
78.74779510498047	180.0
78.8414306640625	160.0
79.33197784423828	136.0
79.67955017089844	168.0
80.02814483642578	172.0
80.48816680908203	184.0
80.80810546875	156.0
81.03190612792969	192.0
81.12329864501953	200.0
82.00947570800781	168.0
82.02208709716797	168.0
82.19314575195312	184.0
82.52757263183594	160.0
82.76460266113281	180.0
82.804443359375	164.0
82.83285522460938	140.0
82.95845794677734	184.0
83.90560913085938	168.0
84.12635040283203	192.0
84.268798828125	168.0
84.73900604248047	168.0
85.09114074707031	192.0
85.19949340820312	148.0
86.07076263427734	148.0
86.3275146484375	216.0
86.34786224365234	144.0
86.48662567138672	140.0
86.65699005126953	188.0
87.03907775878906	200.0
87.27877807617188	160.0
87.34201049804688	160.0
87.93824005126953	156.0
88.67408752441406	184.0
88.89268493652344	144.0
88.99592590332031	164.0
89.66937255859375	168.0
89.72207641601562	104.0
89.75420379638672	144.0
89.89325714111328	172.0
89.97494506835938	168.0
90.03726196289062	216.0
90.08526611328125	164.0
90.91188049316406	200.0
91.02767944335938	144.0
91.21576690673828	148.0
91.31083679199219	168.0
91.46304321289062	144.0
91.55443572998047	172.0
91.76785278320312	152.0
92.30156707763672	168.0
92.8194808959961	232.0
93.07038879394531	428.0
93.34754180908203	140.0
93.4591064453125	156.0
93.6246566772461	172.0
93.67280578613281	156.0
93.75180053710938	188.0
93.93496704101562	140.0
93.96775817871094	176.0
94.07256317138672	224.0
94.8282699584961	168.0
95.07695007324219	220.0
95.55812072753906	160.0
95.62262725830078	148.0
95.66349792480469	156.0
95.7102279663086	176.0
95.7959213256836	200.0
95.85047149658203	156.0
95.87580108642578	140.0
95.96936798095703	172.0
96.08234405517578	204.0
97.39405059814453	140.0
97.90196990966797	156.0
98.09061431884766	156.0
98.16159057617188	184.0
98.66461944580078	176.0
99.09078979492188	180.0
99.37409210205078	188.0
99.42369842529297	160.0
99.59443664550781	144.0
100.48027801513672	208.0
100.53016662597656	152.0
100.63995361328125	152.0
100.681884765625	152.0
100.7817611694336	180.0
100.90767669677734	152.0
101.04967498779297	192.0
101.20980072021484	224.0
101.28589630126953	168.0
101.42214965820312	148.0
101.50033569335938	180.0
101.87966918945312	176.0
102.40967559814453	248.0
103.25150299072266	148.0
103.39596557617188	140.0
103.42430114746094	196.0
103.630859375	216.0
103.88243865966797	216.0
103.92555236816406	128.0
103.94108581542969	164.0
104.4205093383789	156.0
104.62399291992188	144.0
104.73191833496094	152.0
104.75431823730469	148.0
105.059326171875	148.0
105.4378433227539	164.0
105.45419311523438	208.0
105.50838470458984	220.0
105.8039779663086	216.0
105.83059692382812	160.0
106.25279998779297	180.0
106.28768157958984	212.0
106.53302001953125	124.0
106.95764923095703	164.0
107.41303253173828	148.0
107.76191711425781	208.0
108.08233642578125	1388.0
108.51113891601562	192.0
108.68328857421875	156.0
108.82650756835938	140.0
108.90571594238281	140.0
109.09062194824219	304.0
109.2889175415039	140.0
109.41487884521484	140.0
109.63983917236328	160.0
109.6856918334961	168.0
109.85459899902344	176.0
110.01188659667969	160.0
110.05679321289062	172.0
110.09654998779297	12124.0
110.4373779296875	184.0
110.66338348388672	144.0
110.7106704711914	164.0
110.88961791992188	160.0
111.02169799804688	196.0
111.10009765625	896.0
111.12238311767578	164.0
111.40999603271484	196.0
111.57601928710938	188.0
111.60545349121094	184.0
112.08053588867188	260.0
112.6296615600586	148.0
112.93402862548828	224.0
113.01653289794922	160.0
113.16468811035156	228.0
113.39134979248047	144.0
113.99829864501953	168.0
114.01698303222656	172.0
114.24706268310547	168.0
114.32791900634766	184.0
114.36622619628906	196.0
114.40879821777344	168.0
114.54295349121094	152.0
115.08677673339844	216.0
115.17005920410156	152.0
115.42864990234375	236.0
115.62545776367188	216.0
115.95098876953125	192.0
116.33493041992188	156.0
117.01427459716797	220.0
117.30079650878906	148.0
117.33097839355469	176.0
117.49382019042969	96.0
117.81654357910156	160.0
118.02835083007812	148.0
118.74514770507812	144.0
119.73734283447266	108.0
119.98987579345703	136.0
120.58486938476562	164.0
120.68324279785156	248.0
120.81095886230469	220.0
120.88447570800781	180.0
121.331298828125	192.0
121.44313049316406	180.0
121.89610290527344	192.0
122.17020416259766	164.0
122.29342651367188	168.0
122.35679626464844	132.0
122.64363098144531	168.0
122.79356384277344	176.0
122.9435806274414	212.0
123.38092041015625	172.0
123.46051788330078	168.0
123.54678344726562	164.0
123.86775970458984	176.0
124.39044189453125	140.0
124.67537689208984	180.0
124.82254791259766	156.0
125.06520080566406	108.0
125.10693359375	300.0
125.42765045166016	208.0
125.65165710449219	160.0
125.72631072998047	176.0
126.0096435546875	400.0
126.11012268066406	252.0
126.71260070800781	216.0
127.12139129638672	140.0
127.36988830566406	144.0
127.81727600097656	148.0
127.9966812133789	148.0
128.02928161621094	332.0
128.10720825195312	4264.0
128.23388671875	148.0
128.54510498046875	152.0
129.00811767578125	176.0
129.1103057861328	884.0
129.1364288330078	144.0
129.1573486328125	192.0
129.36326599121094	148.0
129.97637939453125	176.0
130.0220184326172	360.0
130.26124572753906	240.0
130.5867919921875	144.0
130.93905639648438	180.0
131.07345581054688	168.0
131.2079315185547	184.0
131.2717742919922	164.0
131.53414916992188	144.0
131.55239868164062	144.0
131.77392578125	176.0
132.0207977294922	156.0
132.17405700683594	172.0
132.27932739257812	160.0
132.7008514404297	168.0
133.2953338623047	144.0
133.50794982910156	116.0
133.76220703125	152.0
133.8174591064453	316.0
134.04153442382812	212.0
134.3221435546875	236.0
134.38905334472656	156.0
135.2602996826172	176.0
135.56138610839844	200.0
135.66236877441406	224.0
136.0739288330078	152.0
136.23887634277344	144.0
136.2923126220703	192.0
136.74850463867188	140.0
136.92039489746094	148.0
137.03219604492188	148.0
137.17901611328125	148.0
137.2233123779297	152.0
137.51023864746094	160.0
137.85353088378906	140.0
138.06707763671875	136.0
138.53395080566406	128.0
138.54122924804688	104.0
138.60299682617188	112.0
139.54586791992188	140.0
139.68463134765625	156.0
140.03005981445312	512.0
140.2615203857422	172.0
140.36761474609375	160.0
140.7333526611328	156.0
140.79002380371094	164.0
140.99700927734375	1292.0
141.0286407470703	172.0
141.140380859375	120.0
141.1839599609375	156.0
141.21673583984375	180.0
141.28639221191406	208.0
141.50885009765625	184.0
141.59173583984375	144.0
141.7925567626953	204.0
141.89503479003906	200.0
141.93296813964844	168.0
141.99954223632812	276.0
142.51449584960938	180.0
142.57627868652344	168.0
142.7902374267578	184.0
142.89883422851562	184.0
142.9401092529297	188.0
142.99688720703125	612.0
143.07101440429688	184.0
143.10911560058594	152.0
143.18531799316406	164.0
143.36874389648438	152.0
143.43548583984375	216.0
143.76107788085938	120.0
143.97708129882812	176.0
144.0057373046875	164.0
144.0367889404297	148.0
144.31161499023438	140.0
145.0353546142578	136.0
145.15684509277344	148.0
145.24798583984375	148.0
145.40634155273438	212.0
145.51675415039062	140.0
145.75213623046875	208.0
146.12001037597656	148.0
146.14166259765625	176.0
146.18470764160156	144.0
146.52206420898438	232.0
146.54856872558594	192.0
146.5798797607422	196.0
146.74620056152344	152.0
147.1370391845703	144.0
147.78733825683594	320.0
147.9783935546875	144.0
148.0624542236328	664.0
148.1018829345703	204.0
148.43389892578125	160.0
148.47755432128906	152.0
148.63766479492188	168.0
149.06588745117188	260.0
149.1014862060547	152.0
149.2935333251953	148.0
149.32168579101562	164.0
150.0337371826172	148.0
150.05984497070312	168.0
150.55589294433594	148.0
151.05938720703125	176.0
151.30899047851562	152.0
151.42408752441406	140.0
151.84317016601562	172.0
151.87506103515625	156.0
152.014892578125	176.0
152.20420837402344	132.0
152.358642578125	180.0
152.5638885498047	108.0
153.10511779785156	360.0
153.12831115722656	204.0
154.00599670410156	584.0
154.36741638183594	192.0
154.4020233154297	196.0
154.58262634277344	144.0
155.41270446777344	144.0
156.02249145507812	820.0
156.57855224609375	164.0
156.86758422851562	140.0
157.0218048095703	188.0
157.91879272460938	144.0
158.02072143554688	452.0
158.6686248779297	208.0
158.69508361816406	144.0
158.7377166748047	164.0
159.1843719482422	160.0
159.64002990722656	124.0
160.21307373046875	156.0
160.4247589111328	140.0
160.4751739501953	144.0
160.5760498046875	160.0
161.0808563232422	176.0
161.3866424560547	188.0
161.49790954589844	160.0
161.5575714111328	180.0
161.64463806152344	176.0
161.8648681640625	160.0
162.10804748535156	196.0
162.8843994140625	144.0
163.14613342285156	152.0
163.39027404785156	168.0
163.7109832763672	384.0
163.82559204101562	144.0
164.10594177246094	168.0
164.25894165039062	188.0
164.2939910888672	184.0
164.50135803222656	144.0
164.61880493164062	220.0
164.80271911621094	176.0
165.4676971435547	212.0
165.7725067138672	144.0
165.80068969726562	148.0
166.0852813720703	152.0
166.14427185058594	144.0
166.3701171875	140.0
166.50877380371094	184.0
166.73228454589844	164.0
166.876220703125	196.0
167.22607421875	152.0
167.58401489257812	152.0
168.0100555419922	440.0
168.20294189453125	196.0
168.8152618408203	148.0
168.93423461914062	164.0
168.99258422851562	776.0
169.09869384765625	244.0
169.90310668945312	164.0
169.96026611328125	144.0
170.0006866455078	1724.0
170.03656005859375	3836.0
170.18600463867188	180.0
170.2124786376953	260.0
170.3080596923828	184.0
170.56874084472656	256.0
170.85394287109375	176.0
170.9892120361328	292.0
171.03955078125	512.0
171.46063232421875	204.0
171.8648223876953	184.0
171.9768524169922	116.0
171.99745178222656	112.0
172.03280639648438	1544.0
172.18589782714844	164.0
173.07762145996094	140.0
173.73782348632812	240.0
173.79843139648438	188.0
174.00576782226562	164.0
174.10183715820312	144.0
174.1869659423828	148.0
174.47866821289062	216.0
174.66275024414062	148.0
174.82322692871094	164.0
174.87060546875	200.0
175.08384704589844	200.0
175.2498016357422	232.0
175.2946014404297	164.0
175.8985595703125	168.0
176.0596160888672	152.0
176.40838623046875	164.0
176.51412963867188	164.0
176.7733612060547	180.0
177.2066192626953	132.0
177.73268127441406	112.0
177.8652801513672	140.0
178.48960876464844	164.0
179.20826721191406	160.0
179.68817138671875	144.0
180.0592041015625	140.0
180.09124755859375	180.0
180.35577392578125	152.0
180.43862915039062	180.0
180.6927032470703	144.0
180.83627319335938	160.0
180.90931701660156	136.0
181.0213165283203	140.0
181.05674743652344	196.0
181.10763549804688	180.0
181.6329803466797	164.0
182.0049285888672	128.0
182.2757568359375	100.0
182.6370849609375	112.0
182.99546813964844	148.0
183.0325164794922	5340.0
183.21092224121094	156.0
183.28636169433594	180.0
183.6570281982422	300.0
183.75967407226562	200.0
183.89234924316406	152.0
183.92552185058594	168.0
183.97488403320312	268.0
184.01690673828125	140692.0
184.10995483398438	300.0
184.36019897460938	140.0
184.40721130371094	128.0
184.4597625732422	320.0
184.65089416503906	148.0
184.74522399902344	104.0
184.7745361328125	132.0
184.9052734375	120.0
185.01954650878906	8392.0
185.0790557861328	128.0
185.1123809814453	184.0
185.16827392578125	112.0
185.21109008789062	196.0
185.3766326904297	104.0
185.71595764160156	140.0
185.76416015625	124.0
185.7907257080078	188.0
185.86517333984375	132.0
185.97720336914062	148.0
186.01402282714844	31336.0
186.0645294189453	216.0
186.2613983154297	96.0
186.30703735351562	292.0
186.33082580566406	176.0
186.3715057373047	176.0
186.39761352539062	108.0
186.52696228027344	128.0
186.57720947265625	108.0
186.75003051757812	120.0
186.82113647460938	100.0
186.8914794921875	168.0
187.01611328125	1468.0
187.10671997070312	148.0
187.3424530029297	96.0
187.53408813476562	236.0
187.7074432373047	176.0
188.02882385253906	184.0
188.1011199951172	136.0
188.14334106445312	200.0
188.41180419921875	164.0
189.02850341796875	144.0
189.52516174316406	192.0
189.57447814941406	184.0
190.11471557617188	148.0
190.4371795654297	140.0
190.68072509765625	236.0
190.83712768554688	164.0
191.1006317138672	144.0
191.16445922851562	172.0
191.4066925048828	204.0
192.1067352294922	164.0
192.5014190673828	164.0
192.87991333007812	156.0
194.36155700683594	180.0
194.65301513671875	176.0
194.7196502685547	200.0
194.97802734375	148.0
195.0753173828125	156.0
195.34226989746094	140.0
195.43406677246094	156.0
195.4935302734375	196.0
196.73838806152344	176.0
197.9478302001953	212.0
198.10586547851562	180.0
198.6973876953125	148.0
199.41624450683594	240.0
199.77162170410156	124.0
199.88307189941406	140.0
200.00408935546875	144.0
200.13076782226562	164.0
200.3506622314453	260.0
200.7144775390625	124.0
201.04258728027344	3988.0
201.27835083007812	148.0
201.32635498046875	240.0
201.64712524414062	96.0
201.7869415283203	208.0
202.0452880859375	408.0
202.1212615966797	140.0
202.1518096923828	212.0
202.2593536376953	180.0
203.0411376953125	856.0
203.56634521484375	144.0
203.77084350585938	160.0
203.8447265625	164.0
203.88734436035156	188.0
204.3309326171875	144.0
204.3906707763672	184.0
204.56211853027344	116.0
204.7465057373047	156.0
205.57322692871094	140.0
206.6247100830078	144.0
207.1571807861328	148.0
207.76492309570312	164.0
208.08944702148438	200.0
208.19259643554688	216.0
208.22991943359375	164.0
208.56033325195312	184.0
208.6886444091797	152.0
208.8564910888672	156.0
208.9945831298828	140.0
209.031982421875	156.0
209.10968017578125	148.0
209.32272338867188	148.0
209.74046325683594	188.0
210.07696533203125	172.0
210.59451293945312	156.0
210.86322021484375	148.0
210.9441375732422	164.0
211.02557373046875	252.0
211.132080078125	148.0
211.519775390625	192.0
211.82501220703125	204.0
212.08309936523438	160.0
212.4847869873047	220.0
212.5312042236328	144.0
212.61288452148438	272.0
212.74307250976562	148.0
212.77499389648438	232.0
213.02674865722656	116.0
213.07064819335938	140.0
213.11480712890625	160.0
213.18453979492188	180.0
213.73121643066406	160.0
214.1212921142578	152.0
214.54087829589844	148.0
215.0396728515625	192.0
215.29949951171875	172.0
215.52691650390625	136.0
215.7144012451172	176.0
216.0770263671875	188.0
216.9848175048828	128.0
217.4102325439453	148.0
217.58013916015625	184.0
218.07102966308594	208.0
218.2250213623047	176.0
218.38671875	140.0
218.83291625976562	208.0
218.97425842285156	192.0
219.5002899169922	112.0
219.64036560058594	196.0
220.2047882080078	160.0
220.40499877929688	156.0
220.65621948242188	148.0
222.0568389892578	164.0
222.1102294921875	216.0
222.799072265625	156.0
223.07090759277344	152.0
223.21502685546875	196.0
223.44107055664062	192.0
223.6823272705078	112.0
224.07557678222656	164.0
224.51039123535156	220.0
224.5372314453125	156.0
224.9519805908203	140.0
225.06304931640625	212.0
225.3909912109375	180.0
225.98175048828125	124.0
226.0189208984375	168.0
226.09849548339844	256.0
226.92945861816406	160.0
227.0560302734375	132.0
227.4994659423828	196.0
227.7967529296875	228.0
227.94827270507812	120.0
229.31927490234375	248.0
229.623779296875	228.0
229.65394592285156	168.0
229.72030639648438	152.0
229.95565795898438	188.0
230.80018615722656	192.0
230.8317413330078	160.0
231.1537628173828	124.0
231.8943328857422	152.0
232.01287841796875	496.0
232.12474060058594	176.0
232.67086791992188	148.0
232.7785186767578	144.0
233.0079803466797	140.0
233.06570434570312	152.0
233.16346740722656	140.0
233.86245727539062	216.0
234.136474609375	208.0
234.3740692138672	168.0
234.98692321777344	144.0
235.87864685058594	180.0
235.93060302734375	156.0
235.99786376953125	172.0
236.07728576660156	136.0
236.1966552734375	152.0
236.435302734375	200.0
237.1037139892578	248.0
237.4309539794922	152.0
237.98944091796875	160.0
238.08230590820312	148.0
238.1122589111328	176.0
238.87452697753906	196.0
239.0563201904297	404.0
239.12374877929688	172.0
240.0627899169922	148.0
240.10105895996094	128.0
240.21450805664062	140.0
240.24842834472656	168.0
240.9152374267578	140.0
241.13771057128906	152.0
241.18936157226562	180.0
241.86764526367188	152.0
242.03173828125	196.0
242.0608367919922	176.0
242.46231079101562	180.0
243.7097625732422	152.0
244.23513793945312	140.0
244.9790802001953	160.0
245.022705078125	152.0
245.10443115234375	104.0
245.24082946777344	164.0
245.59588623046875	164.0
245.89891052246094	140.0
246.81109619140625	140.0
246.93865966796875	116.0
248.0821990966797	160.0
248.14175415039062	184.0
248.587158203125	140.0
248.74722290039062	164.0
249.1900177001953	180.0
249.64892578125	228.0
250.30345153808594	152.0
250.9809112548828	176.0
251.18589782714844	152.0
251.35626220703125	140.0
251.47933959960938	148.0
251.76663208007812	152.0
252.36386108398438	196.0
252.70860290527344	192.0
252.914306640625	152.0
253.0694122314453	192.0
253.1549072265625	188.0
253.40830993652344	220.0
253.61428833007812	156.0
254.10581970214844	200.0
254.83624267578125	132.0
254.87734985351562	144.0
255.12843322753906	212.0
255.29058837890625	152.0
255.8092041015625	152.0
255.853759765625	176.0
256.0639343261719	140.0
256.6056213378906	144.0
256.79376220703125	220.0
258.15423583984375	160.0
258.9479064941406	140.0
259.47259521484375	152.0
260.10052490234375	148.0
260.24664306640625	164.0
260.96240234375	140.0
261.0081481933594	180.0
261.2329406738281	152.0
261.6001281738281	140.0
262.0123291015625	140.0
262.33135986328125	264.0
262.88934326171875	144.0
262.99908447265625	152.0
263.0552978515625	144.0
263.0892333984375	136.0
263.42205810546875	188.0
263.62237548828125	168.0
263.87127685546875	188.0
264.2515869140625	188.0
264.5473937988281	168.0
264.8762512207031	160.0
265.0267333984375	140.0
265.08355712890625	208.0
265.11798095703125	180.0
265.4893798828125	148.0
265.5389099121094	180.0
266.0223693847656	196.0
266.27044677734375	128.0
267.0653991699219	148.0
267.12408447265625	864.0
267.25213623046875	160.0
268.130859375	292.0
268.33868408203125	148.0
268.97564697265625	124.0
269.0498962402344	212.0
269.0792541503906	188.0
269.1251220703125	144.0
269.5267333984375	184.0
269.6149597167969	148.0
270.7567138671875	152.0
270.8451232910156	176.0
271.5071716308594	200.0
271.6711730957031	140.0
272.06170654296875	148.0
272.7909851074219	172.0
273.1197814941406	172.0
273.17901611328125	164.0
273.4290771484375	160.0
273.8636474609375	160.0
274.1008605957031	232.0
274.4139709472656	164.0
275.0704650878906	156.0
275.1678466796875	104.0
276.40234375	164.0
276.6129150390625	112.0
277.1871337890625	216.0
277.8038024902344	192.0
278.4842529296875	148.0
278.5440368652344	172.0
278.6868896484375	156.0
279.1090087890625	268.0
279.5050354003906	148.0
279.7744140625	140.0
280.1973876953125	140.0
281.08355712890625	152.0
281.5783386230469	160.0
282.41387939453125	184.0
283.0296325683594	148.0
283.068603515625	120.0
283.1803283691406	172.0
283.3243713378906	152.0
284.1256103515625	204.0
284.3403625488281	164.0
284.85406494140625	152.0
285.6339111328125	188.0
285.89971923828125	188.0
286.2228698730469	144.0
286.3853759765625	156.0
286.6843566894531	168.0
287.22381591796875	248.0
288.7605895996094	244.0
289.1293640136719	156.0
289.31890869140625	144.0
289.9150390625	152.0
290.8195495605469	120.0
291.0921630859375	144.0
291.1804504394531	152.0
291.4794006347656	156.0
292.1208190917969	220.0
292.5098876953125	152.0
292.6630859375	160.0
292.7881164550781	212.0
293.0671081542969	216.0
293.1026306152344	328.0
293.45074462890625	248.0
294.0470886230469	184.0
294.426025390625	144.0
295.10693359375	464.0
295.48565673828125	152.0
295.7731018066406	156.0
296.0504150390625	172.0
296.07440185546875	208.0
296.112060546875	156.0
296.2011413574219	160.0
296.2542724609375	140.0
296.3113098144531	168.0
296.5491638183594	200.0
296.5986022949219	224.0
297.10968017578125	96.0
297.5110778808594	236.0
297.6498718261719	172.0
298.005615234375	404.0
298.1671142578125	168.0
299.123291015625	204.0
299.9100646972656	152.0
300.1016845703125	144.0
300.2237548828125	120.0
300.4486083984375	164.0
300.6639404296875	188.0
300.7916564941406	176.0
301.0436706542969	184.0
301.2958068847656	160.0
301.52386474609375	180.0
302.2552795410156	128.0
302.7312316894531	172.0
302.78515625	180.0
303.189697265625	128.0
303.3687438964844	156.0
304.2602844238281	144.0
304.7708435058594	140.0
304.9290466308594	152.0
305.143310546875	160.0
305.4070129394531	144.0
305.5322570800781	160.0
305.6366271972656	188.0
305.8315124511719	176.0
306.00555419921875	160.0
306.0580749511719	140.0
306.11236572265625	148.0
306.3294372558594	140.0
306.7525634765625	132.0
307.11370849609375	156.0
307.2078857421875	180.0
307.4495544433594	108.0
307.4748229980469	176.0
307.6201171875	184.0
307.6805725097656	152.0
307.9110107421875	124.0
308.00567626953125	96.0
308.1184997558594	452.0
308.20050048828125	292.0
308.23236083984375	128.0
308.2975769042969	176.0
308.3249206542969	112.0
308.41607666015625	108.0
308.5236511230469	252.0
308.562255859375	120.0
308.624755859375	184.0
308.7012634277344	140.0
308.7691955566406	224.0
308.8013916015625	140.0
308.90374755859375	140.0
308.9452819824219	224.0
308.98046875	392.0
309.0134582519531	260.0
309.0689697265625	160.0
309.1014099121094	204.0
309.1327819824219	488.0
309.1692199707031	224.0
309.2230529785156	196.0
309.2887268066406	236.0
309.3346862792969	148.0
309.4010314941406	108.0
309.4530944824219	332.0
309.4657287597656	288.0
309.47918701171875	324.0
309.53704833984375	424.0
309.5756530761719	328.0
309.6217346191406	184.0
309.66326904296875	416.0
309.70654296875	344.0
309.7573547363281	316.0
309.8571472167969	548.0
309.92041015625	476.0
309.969482421875	348.0
310.01043701171875	524.0
310.0430908203125	348.0
310.08282470703125	752.0
310.13385009765625	251076.0
310.23883056640625	144.0
310.3094787597656	200.0
310.36956787109375	164.0
310.4618225097656	1472.0
310.5113525390625	460.0
310.5669250488281	876.0
310.5916442871094	488.0
310.61810302734375	224.0
310.6692810058594	872.0
310.715087890625	7804.0
310.7522277832031	644.0
310.8036193847656	236.0
310.88348388671875	364.0
310.9841003417969	388.0
311.0177307128906	428.0
311.0630187988281	372.0
311.1358642578125	82364.0
311.2314453125	176.0
311.2679138183594	196.0
311.2972106933594	148.0
311.3391418457031	236.0
311.3786926269531	160.0
311.4438171386719	160.0
311.52911376953125	196.0
311.5696105957031	172.0
311.6082763671875	348.0
311.6683654785156	184.0
311.7173156738281	176.0
311.7746887207031	160.0
311.8229064941406	320.0
311.863037109375	216.0
311.9234619140625	172.0
311.9967041015625	156.0
312.0647888183594	380.0
312.130615234375	140296.0
312.21502685546875	104.0
312.2974853515625	100.0
312.35394287109375	344.0
312.3808898925781	228.0
312.4312744140625	260.0
312.4853820800781	244.0
312.5462951660156	104.0
312.6556701660156	124.0
312.7092590332031	996.0
312.7552185058594	276.0
312.7940368652344	164.0
312.8486328125	272.0
312.88006591796875	228.0
312.92926025390625	200.0
312.9681701660156	332.0
312.9976501464844	216.0
313.041748046875	256.0
313.1323547363281	18000.0
313.18505859375	540.0
313.26861572265625	344.0
313.3290710449219	224.0
313.368408203125	272.0
313.4274597167969	196.0
313.4574890136719	184.0
313.6295471191406	188.0
313.652587890625	152.0
313.8115539550781	156.0
313.8479309082031	124.0
313.93829345703125	96.0
313.972412109375	148.0
314.12548828125	132.0
314.17822265625	132.0
314.21624755859375	228.0
314.31689453125	160.0
314.37054443359375	120.0
314.3841857910156	132.0
314.482177734375	124.0
314.7538757324219	156.0
314.81781005859375	136.0
314.859375	196.0
315.0575256347656	184.0
315.1168212890625	188.0
315.1773681640625	96.0
315.2132873535156	144.0
315.322021484375	264.0
315.4055480957031	160.0
315.64990234375	108.0
315.68255615234375	104.0
316.3684387207031	116.0
316.51824951171875	132.0
317.3263854980469	140.0
324.5067138671875	140.0
325.1611022949219	104.0
325.23809814453125	100.0
327.8383483886719	96.0
329.77520751953125	108.0
330.6158447265625	184.0
331.5921630859375	96.0
334.6632385253906	144.0
345.4458923339844	152.0
361.69061279296875	156.0
372.4127197265625	156.0
387.99334716796875	140.0
403.2734680175781	140.0
455.4942932128906	144.0
481.0506286621094	112.0
534.21826171875	216.0
567.3786010742188	148.0
657.3135986328125	152.0
705.3609008789062	144.0
745.518798828125	176.0
921.8226318359375	112.0
1134.22509765625	156.0
1166.525390625	208.0
1279.0760498046875	188.0
1280.19384765625	160.0
1311.0052490234375	168.0
1372.3333740234375	112.0
1387.9122314453125	152.0
1395.8870849609375	156.0
1400.940673828125	140.0
1416.1339111328125	160.0
1444.904296875	236.0
1483.423583984375	152.0
1502.526123046875	204.0
1502.641845703125	176.0
1538.169189453125	160.0
1554.0478515625	168.0
1584.2353515625	184.0
1584.710693359375	200.0
1643.4151611328125	208.0
1644.3189697265625	272.0
1647.556884765625	152.0
1670.9296875	168.0
1671.377197265625	168.0
1674.9185791015625	184.0
1680.2906494140625	236.0
1710.8265380859375	184.0
1721.925048828125	152.0
1730.640869140625	196.0
1767.8577880859375	172.0
1774.6761474609375	240.0
1778.45947265625	184.0
1781.3984375	156.0
1785.8785400390625	180.0
1791.5772705078125	184.0
1793.9874267578125	196.0
1794.914794921875	180.0
1797.95166015625	156.0
1815.8365478515625	140.0
1816.67626953125	192.0
1820.77587890625	148.0
1821.95654296875	268.0
1826.4278564453125	164.0
1867.7763671875	180.0
1869.763916015625	148.0
1904.0443115234375	124.0
1904.842041015625	200.0
1911.1275634765625	188.0
1913.0247802734375	148.0
1918.24267578125	168.0
1930.876953125	140.0
1935.8388671875	156.0
1938.3004150390625	144.0
1939.1854248046875	192.0
1941.6666259765625	196.0
1956.6483154296875	144.0
1958.4095458984375	252.0
1961.4405517578125	160.0
1963.9447021484375	148.0
1967.580322265625	168.0
1967.686279296875	152.0
1973.317626953125	180.0
1974.392822265625	192.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079149
PEPMASS=328.125732
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Loxapine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24
INCHI=InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
INCHIAUX=XJGVXQDUIWGIRW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079149
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079149
SCANS=1160
44.96061706542969	148.0
45.08615493774414	148.0
47.2949333190918	268.0
49.97916030883789	192.0
56.427738189697266	160.0
56.83663558959961	196.0
80.92810821533203	164.0
83.39236450195312	172.0
85.24000549316406	188.0
93.036376953125	156.0
99.09020233154297	140.0
100.23115539550781	144.0
102.33026123046875	192.0
109.0311508178711	180.0
109.04524993896484	196.0
109.37097930908203	140.0
121.02906799316406	160.0
123.05773162841797	328.0
123.60664367675781	192.0
124.06510925292969	196.0
127.49134063720703	192.0
134.0457000732422	136.0
135.06202697753906	200.0
136.0686798095703	220.0
137.03700256347656	216.0
139.25228881835938	144.0
147.06082153320312	216.0
148.06332397460938	152.0
148.12384033203125	168.0
149.07159423828125	156.0
150.07701110839844	232.0
151.0371551513672	196.0
159.0514678955078	216.0
159.0802001953125	120.0
161.07427978515625	256.0
163.08990478515625	712.0
163.14122009277344	176.0
164.02703857421875	172.0
164.05152893066406	176.0
164.09219360351562	144.0
171.01023864746094	160.0
176.10205078125	160.0
178.1055145263672	276.0
184.01478576660156	152.0
185.9801025390625	144.0
192.04348754882812	160.0
192.11843872070312	960.0
193.05091857910156	504.0
193.12890625	256.0
193.62713623046875	148.0
194.0523681640625	128.0
200.02630615234375	136.0
202.02186584472656	140.0
206.47903442382812	152.0
207.08480834960938	200.0
208.0952606201172	152.0
208.5059356689453	204.0
209.0868682861328	180.0
217.0496368408203	164.0
217.36056518554688	148.0
220.04783630371094	184.0
227.04962158203125	176.0
228.0186309814453	1120.0
229.0226287841797	268.0
229.53355407714844	144.0
230.0197296142578	416.0
232.035888671875	236.0
233.1622772216797	120.0
234.07518005371094	136.0
234.170166015625	140.0
234.25245666503906	184.0
235.08447265625	224.0
236.0963897705078	152.0
236.7722930908203	140.0
239.09014892578125	156.0
243.0343475341797	132.0
243.06105041503906	140.0
244.05189514160156	320.0
246.0262908935547	132.0
247.89439392089844	176.0
257.4163513183594	188.0
260.5841369628906	160.0
261.1052551269531	176.0
268.0423278808594	156.0
269.7533874511719	152.0
271.06396484375	8756.0
272.0682373046875	1880.0
272.43634033203125	200.0
273.0603942871094	3176.0
274.0596008300781	388.0
292.7485046386719	156.0
296.4206848144531	140.0
297.0794982910156	2264.0
298.0859375	344.0
299.0801696777344	372.0
299.1958923339844	188.0
300.0851745605469	132.0
301.77996826171875	140.0
310.19805908203125	148.0
313.1228332519531	328.0
325.2251892089844	288.0
326.2326965332031	296.0
326.3129577636719	140.0
326.70135498046875	152.0
326.74810791015625	204.0
327.2245788574219	156.0
328.1223449707031	16768.0
328.4118347167969	256.0
328.75762939453125	116.0
328.83447265625	160.0
329.12347412109375	2816.0
329.4655456542969	188.0
330.01934814453125	432.0
330.0614929199219	140.0
330.1190490722656	3304.0
330.1506652832031	14376.0
330.3907165527344	128.0
330.5312805175781	120.0
330.656982421875	104.0
330.96563720703125	128.0
331.0489196777344	120.0
331.1263427734375	532.0
331.1535949707031	3040.0
331.38385009765625	148.0
332.0472106933594	156.0
332.08203125	152.0
333.1470031738281	140.0
333.5115051269531	116.0
1597.9952392578125	168.0
1688.771484375	164.0
1865.4996337890625	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079150
PEPMASS=164.566467
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Loxapine [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24
INCHI=InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
INCHIAUX=XJGVXQDUIWGIRW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079150
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079150
SCANS=1163
46.58857345581055	232.0
47.988685607910156	212.0
50.33295822143555	156.0
50.88373947143555	192.0
56.26121139526367	224.0
56.457645416259766	144.0
56.91168212890625	196.0
59.42515563964844	176.0
67.14351654052734	196.0
68.47579193115234	188.0
69.88970184326172	244.0
70.09784698486328	152.0
77.32201385498047	192.0
80.2170639038086	144.0
82.35237121582031	172.0
82.51139068603516	176.0
93.09782409667969	140.0
99.0907211303711	312.0
99.9205551147461	232.0
100.576171875	172.0
101.05978393554688	160.0
101.10752868652344	1780.0
102.11077117919922	136.0
107.85295867919922	176.0
111.59505462646484	180.0
113.03145599365234	208.0
114.04729461669922	212.0
120.03922271728516	212.0
121.54864501953125	188.0
123.45179748535156	152.0
124.98236846923828	164.0
127.08715057373047	140.0
132.05751037597656	184.0
134.26231384277344	160.0
137.03680419921875	368.0
138.04429626464844	416.0
139.04440307617188	360.0
140.0535430908203	252.0
141.0582733154297	184.0
142.0434112548828	208.0
143.34506225585938	176.0
145.10903930664062	160.0
146.51739501953125	208.0
147.55514526367188	144.0
148.5601806640625	196.0
149.01416015625	160.0
149.32530212402344	152.0
152.06353759765625	488.0
157.61146545410156	172.0
160.2233123779297	148.0
163.04971313476562	144.0
163.1920623779297	152.0
164.04917907714844	2652.0
164.56494140625	8420.0
165.0650177001953	2832.0
165.56178283691406	1324.0
166.06553649902344	756.0
167.0868682861328	1204.0
168.0508575439453	188.0
169.05300903320312	196.0
173.01437377929688	244.0
174.01168823242188	560.0
174.56561279296875	168.0
176.00697326660156	144.0
177.00648498535156	164.0
185.0746612548828	168.0
190.33450317382812	176.0
191.07110595703125	152.0
192.04739379882812	148.0
192.9962158203125	176.0
193.0524444580078	9452.0
194.0555419921875	1652.0
195.05923461914062	336.0
196.03909301757812	212.0
197.04299926757812	144.0
200.02816772460938	880.0
201.01040649414062	180.0
201.06967163085938	140.0
202.0234832763672	176.0
209.08111572265625	160.0
210.05337524414062	156.0
215.0148468017578	152.0
220.03822326660156	220.0
221.1001434326172	152.0
227.0041046142578	224.0
228.0214080810547	9140.0
228.10562133789062	160.0
229.02566528320312	1312.0
230.0189666748047	2532.0
231.01951599121094	384.0
231.04672241210938	152.0
246.033203125	460.0
248.0308837890625	152.0
249.03948974609375	148.0
259.0378723144531	148.0
743.5048217773438	140.0
1357.3424072265625	272.0
1427.640380859375	216.0
1780.1907958984375	164.0
1815.3040771484375	140.0
1887.3116455078125	152.0
1911.2861328125	152.0
1936.9881591796875	164.0
1960.0853271484375	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079151
PEPMASS=311.117065
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Picrotin - Picrotoxinin [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O)C[C@H]4O[C@]45C(=O)O[C@H]2[C@@]53C
INCHI=InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1
INCHIAUX=RYEFFICCPKWYML-QCGISDTRSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079151
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079151
SCANS=1104
46.62110900878906	180.0
49.9776725769043	168.0
51.61458969116211	228.0
52.79521179199219	184.0
53.100791931152344	152.0
59.322444915771484	156.0
60.15775680541992	164.0
61.82868576049805	228.0
78.58887481689453	200.0
79.16512298583984	140.0
83.4976806640625	148.0
87.73114013671875	148.0
91.05420684814453	160.0
92.0599365234375	196.0
93.75945281982422	180.0
95.05316925048828	168.0
95.08228302001953	172.0
97.28206634521484	156.0
100.23696899414062	180.0
103.0582046508789	168.0
105.06880187988281	324.0
105.0886001586914	156.0
106.07123565673828	120.0
107.05079650878906	280.0
107.0873031616211	316.0
109.11315155029297	156.0
110.10082244873047	188.0
110.55656433105469	192.0
111.00251770019531	156.0
111.04889678955078	512.0
113.98548126220703	152.0
114.1597900390625	144.0
115.05681610107422	284.0
116.06063079833984	208.0
117.04434967041016	192.0
117.06803894042969	196.0
117.20589447021484	152.0
119.04882049560547	164.0
119.08661651611328	600.0
121.02668762207031	264.0
121.05953216552734	296.0
123.00971984863281	140.0
123.0441665649414	292.0
124.63751983642578	144.0
125.05522155761719	172.0
128.06092834472656	300.0
128.66465759277344	160.0
129.0697784423828	416.0
130.07701110839844	160.0
131.05581665039062	192.0
131.08160400390625	204.0
132.05731201171875	200.0
132.17626953125	188.0
133.03802490234375	256.0
133.06515502929688	180.0
133.10079956054688	376.0
135.04527282714844	812.0
135.0797882080078	496.0
136.04605102539062	180.0
137.02279663085938	164.0
137.05758666992188	412.0
139.03492736816406	168.0
139.07264709472656	144.0
141.06845092773438	164.0
142.08033752441406	488.0
143.0822296142578	280.0
144.05328369140625	136.0
144.0868682861328	156.0
145.0655059814453	1312.0
145.1015625	956.0
146.06964111328125	512.0
146.1054229736328	176.0
146.84014892578125	160.0
146.9221649169922	164.0
147.038818359375	132.0
147.08026123046875	448.0
147.11680603027344	492.0
148.08419799804688	268.0
148.12710571289062	144.0
149.02606201171875	184.0
149.06251525878906	164.0
149.09423828125	332.0
149.13206481933594	360.0
151.0413055419922	380.0
151.07151794433594	172.0
151.10821533203125	156.0
152.1154327392578	164.0
153.05230712890625	304.0
155.01092529296875	196.0
155.07534790039062	240.0
157.1011199951172	1048.0
158.0765380859375	136.0
159.08245849609375	680.0
159.11888122558594	444.0
159.18930053710938	184.0
160.08641052246094	180.0
161.0571746826172	1192.0
161.09503173828125	396.0
162.0635223388672	300.0
163.0740203857422	804.0
163.1163330078125	204.0
164.11093139648438	144.0
165.09385681152344	124.0
166.0991668701172	212.0
167.0835418701172	144.0
168.07638549804688	144.0
168.98329162597656	148.0
169.05870056152344	168.0
169.100830078125	120.0
171.04556274414062	304.0
171.07763671875	144.0
172.08543395996094	120.0
172.4601287841797	140.0
172.52809143066406	212.0
173.05848693847656	608.0
173.0948944091797	428.0
173.21107482910156	160.0
174.06246948242188	120.0
174.1004638671875	120.0
174.50485229492188	184.0
175.072265625	228.0
175.11207580566406	1784.0
176.1157989501953	140.0
177.0565185546875	184.0
177.0933074951172	184.0
177.12506103515625	172.0
178.12281799316406	148.0
179.0345458984375	136.0
179.0677947998047	412.0
181.02450561523438	188.0
181.04324340820312	188.0
183.043701171875	164.0
183.07302856445312	152.0
184.01654052734375	428.0
184.08468627929688	192.0
185.02833557128906	148.0
185.09384155273438	812.0
186.00814819335938	272.0
186.06333923339844	176.0
186.10195922851562	212.0
187.01808166503906	144.0
187.07354736328125	660.0
187.11293029785156	1060.0
187.15147399902344	244.0
187.72096252441406	144.0
188.0756378173828	140.0
188.1165771484375	144.0
189.0548553466797	1208.0
189.0904998779297	392.0
191.0712432861328	948.0
191.10687255859375	968.0
193.0847625732422	304.0
193.12123107910156	564.0
194.09515380859375	204.0
194.12403869628906	288.0
197.0395965576172	160.0
197.10414123535156	148.0
201.0882110595703	364.0
202.0888671875	156.0
202.98451232910156	152.0
203.07241821289062	172.0
203.10690307617188	1648.0
204.11148071289062	304.0
205.08956909179688	148.0
205.122802734375	552.0
206.1075439453125	148.0
206.12994384765625	480.0
207.0648956298828	524.0
207.10653686523438	164.0
208.06959533691406	172.0
209.080322265625	544.0
211.0783233642578	432.0
212.07867431640625	264.0
213.0897979736328	288.0
215.03079223632812	220.0
219.10179138183594	244.0
220.10528564453125	276.0
220.7743682861328	164.0
221.11680603027344	548.0
221.76022338867188	144.0
223.0724639892578	168.0
224.29559326171875	168.0
229.06289672851562	180.0
229.08529663085938	832.0
230.0883331298828	160.0
230.4749298095703	140.0
231.1036376953125	612.0
232.10772705078125	396.0
233.08596801757812	140.0
234.0740966796875	164.0
235.06442260742188	536.0
237.10975646972656	288.0
239.0466766357422	192.0
241.08193969726562	160.0
245.1783447265625	140.0
247.0966796875	1552.0
248.09841918945312	464.0
249.112548828125	1040.0
250.11778259277344	168.0
251.09048461914062	192.0
252.0992889404297	172.0
253.07057189941406	288.0
257.07940673828125	868.0
260.6544189453125	172.0
265.1061706542969	1484.0
266.1106872558594	296.0
267.1238098144531	152.0
271.0841369628906	140.0
275.0940246582031	552.0
275.9764099121094	116.0
276.2102966308594	180.0
283.12322998046875	152.0
292.9626159667969	160.0
293.1013488769531	2180.0
294.1076354980469	416.0
294.15625	116.0
294.1937561035156	156.0
295.1042175292969	160.0
309.13116455078125	108.0
309.1666564941406	156.0
309.2063293457031	180.0
309.91717529296875	180.0
310.1328125	1200.0
310.1905517578125	196.0
311.1159973144531	648.0
312.1292419433594	516.0
312.1578369140625	480.0
312.2691650390625	148.0
1156.4248046875	184.0
1224.6025390625	156.0
1314.610107421875	140.0
1493.697021484375	168.0
1580.11767578125	144.0
1697.1790771484375	200.0
1721.6431884765625	180.0
1780.8177490234375	188.0
1829.932861328125	176.0
1852.932861328125	156.0
1949.4259033203125	216.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079152
PEPMASS=345.119904
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=CLOTRIMAZOLE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4
INCHI=InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
INCHIAUX=VNFPBHJOKIVQEB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079152
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079152
SCANS=1273
45.1810302734375	264.0
45.276065826416016	180.0
45.8807258605957	220.0
46.05345153808594	180.0
46.66733932495117	144.0
46.87515640258789	124.0
47.673404693603516	160.0
47.703643798828125	148.0
47.77790451049805	268.0
48.010684967041016	148.0
48.231590270996094	200.0
48.59442138671875	156.0
48.76939392089844	188.0
51.90815353393555	172.0
52.78076934814453	236.0
53.838680267333984	140.0
54.109188079833984	168.0
54.16337203979492	192.0
55.11966323852539	164.0
55.16400146484375	172.0
56.596736907958984	144.0
57.33732223510742	248.0
57.433815002441406	152.0
57.49114990234375	200.0
57.9826545715332	148.0
58.36063766479492	224.0
60.10641098022461	184.0
62.7381591796875	208.0
62.87065124511719	180.0
63.27054977416992	140.0
63.797245025634766	168.0
67.49779510498047	204.0
67.6227035522461	136.0
69.19418334960938	176.0
70.05609893798828	160.0
71.11624145507812	180.0
71.71333312988281	180.0
72.7349624633789	188.0
73.42062377929688	196.0
73.44962310791016	144.0
73.6920394897461	140.0
73.85272979736328	224.0
74.01718139648438	212.0
75.81373596191406	180.0
77.31491088867188	140.0
78.1413803100586	152.0
78.53597259521484	192.0
79.01115417480469	188.0
79.49664306640625	200.0
80.35784912109375	224.0
80.99605560302734	140.0
81.29725646972656	188.0
81.5792465209961	268.0
81.72132110595703	156.0
84.57234191894531	184.0
85.83468627929688	160.0
87.29548645019531	224.0
90.00233459472656	176.0
94.00439453125	160.0
96.51214599609375	164.0
99.31851959228516	152.0
100.54410552978516	168.0
100.66787719726562	176.0
100.71980285644531	148.0
102.81793975830078	140.0
105.868896484375	184.0
106.65320587158203	168.0
107.99784851074219	140.0
108.48208618164062	148.0
108.92616271972656	152.0
109.00926208496094	152.0
109.35865020751953	168.0
109.51897430419922	156.0
111.2713623046875	200.0
111.5802001953125	176.0
111.94210052490234	164.0
112.20125579833984	208.0
112.90650939941406	160.0
113.76888275146484	140.0
113.84532165527344	144.0
113.9940185546875	144.0
114.19385528564453	164.0
114.38748168945312	236.0
115.05471801757812	184.0
115.08888244628906	156.0
115.13372039794922	148.0
115.82669067382812	184.0
116.20828247070312	152.0
116.4487075805664	232.0
117.43228912353516	240.0
118.86225891113281	192.0
119.14016723632812	192.0
119.80368041992188	156.0
119.84725189208984	152.0
121.65691375732422	136.0
122.09318542480469	164.0
124.19134521484375	144.0
124.76202392578125	216.0
125.01683807373047	380.0
126.02123260498047	196.0
126.42078399658203	204.0
126.52444458007812	176.0
127.01214599609375	276.0
127.5743408203125	140.0
127.65528106689453	140.0
127.75874328613281	140.0
128.0153350830078	144.0
128.1302032470703	152.0
129.48550415039062	192.0
129.6282196044922	152.0
130.24758911132812	204.0
131.22840881347656	148.0
131.30593872070312	164.0
133.06561279296875	160.0
133.4125213623047	216.0
133.88880920410156	208.0
135.96253967285156	164.0
136.03216552734375	236.0
137.0811004638672	220.0
137.74134826660156	180.0
138.04518127441406	196.0
138.90472412109375	180.0
139.06008911132812	148.0
141.0675506591797	196.0
141.5277557373047	140.0
141.6935577392578	156.0
142.5477294921875	172.0
144.28050231933594	164.0
144.78297424316406	224.0
144.83566284179688	172.0
145.56234741210938	176.0
145.88909912109375	248.0
146.57020568847656	148.0
146.94876098632812	152.0
147.38577270507812	168.0
148.775634765625	148.0
149.01548767089844	384.0
150.90037536621094	156.0
151.0128631591797	168.0
151.05690002441406	188.0
152.06393432617188	156.0
153.31820678710938	208.0
153.58941650390625	204.0
153.7201690673828	192.0
154.54298400878906	160.0
154.61227416992188	172.0
155.41018676757812	160.0
156.9822235107422	184.0
158.42938232421875	188.0
158.46946716308594	240.0
159.12908935546875	152.0
159.8479461669922	232.0
161.03787231445312	168.0
161.97372436523438	140.0
162.03199768066406	172.0
162.09786987304688	168.0
163.0554656982422	348.0
164.01156616210938	152.0
164.0611114501953	192.0
164.67239379882812	164.0
164.6928253173828	148.0
164.73370361328125	232.0
164.940673828125	148.0
165.04115295410156	252.0
165.07054138183594	68060.0
165.2252197265625	132.0
165.2959442138672	184.0
165.34478759765625	160.0
165.4943389892578	104.0
165.67466735839844	120.0
166.07275390625	9336.0
166.30038452148438	240.0
166.99392700195312	112.0
167.07369995117188	496.0
167.31175231933594	112.0
168.05711364746094	320.0
168.63424682617188	156.0
169.06080627441406	200.0
170.58343505859375	208.0
174.93899536132812	144.0
175.0337677001953	140.0
177.7696990966797	152.0
178.7678680419922	204.0
180.64718627929688	192.0
181.12632751464844	152.0
181.2047576904297	168.0
181.6007537841797	180.0
182.33908081054688	176.0
182.69400024414062	216.0
183.1920166015625	192.0
184.36570739746094	188.0
187.50294494628906	152.0
187.6337890625	184.0
189.99119567871094	192.0
190.28758239746094	188.0
191.57464599609375	208.0
194.58132934570312	140.0
194.93629455566406	176.0
196.04904174804688	152.0
197.29705810546875	152.0
198.49539184570312	164.0
198.84324645996094	160.0
198.9920196533203	200.0
199.03115844726562	11940.0
199.12010192871094	144.0
200.03396606445312	1676.0
201.02743530273438	2716.0
201.07505798339844	144.0
202.0313720703125	416.0
202.0791778564453	144.0
202.14666748046875	180.0
203.88160705566406	192.0
205.61598205566406	144.0
207.68167114257812	140.0
208.13510131835938	144.0
208.77877807617188	144.0
209.27947998046875	160.0
210.90940856933594	184.0
211.23904418945312	168.0
215.08560180664062	1024.0
215.27316284179688	148.0
215.47470092773438	168.0
216.09046936035156	552.0
216.54824829101562	144.0
216.65077209472656	156.0
219.33071899414062	176.0
219.95309448242188	212.0
220.2247314453125	160.0
224.32846069335938	144.0
224.35231018066406	148.0
224.89520263671875	224.0
225.95004272460938	156.0
226.07777404785156	960.0
226.4319610595703	152.0
227.08428955078125	732.0
228.01658630371094	108.0
228.0869140625	200.0
228.27757263183594	160.0
233.67982482910156	156.0
235.29815673828125	144.0
235.38670349121094	172.0
235.46609497070312	168.0
236.04367065429688	160.0
236.3862762451172	180.0
239.08413696289062	1188.0
239.1483154296875	140.0
239.99069213867188	156.0
240.09231567382812	1328.0
240.51992797851562	188.0
240.7236785888672	156.0
241.1018524169922	22460.0
241.50698852539062	140.0
242.02841186523438	152.0
242.108642578125	26816.0
242.26516723632812	132.0
242.30162048339844	152.0
242.4752960205078	152.0
242.57073974609375	180.0
243.114013671875	3936.0
243.42391967773438	180.0
243.95831298828125	176.0
244.111328125	212.0
245.2183074951172	116.0
246.09552001953125	156.0
246.45782470703125	156.0
248.2953338623047	168.0
249.04673767089844	1076.0
250.0456085205078	144.0
250.5238494873047	140.0
251.00921630859375	144.0
251.04246520996094	180.0
251.5445098876953	204.0
252.0493621826172	140.0
253.06935119628906	164.0
254.68984985351562	152.0
256.7267150878906	144.0
257.02337646484375	248.0
258.30767822265625	148.0
260.638427734375	176.0
261.0080871582031	192.0
261.1624450683594	384.0
262.0536193847656	820.0
262.27972412109375	148.0
262.5313415527344	96.0
263.05853271484375	400.0
263.997314453125	160.0
264.0523376464844	132.0
264.1266784667969	176.0
265.0558166503906	220.0
266.08721923828125	148.0
266.6784362792969	148.0
267.1336364746094	156.0
269.8404235839844	168.0
271.3956298828125	156.0
273.7854919433594	152.0
274.16339111328125	328.0
275.06524658203125	656.0
275.2453918457031	192.0
275.7948303222656	112.0
276.0234680175781	168.0
276.0687255859375	120.0
276.4376525878906	116.0
276.53466796875	192.0
276.5765686035156	244.0
276.6306457519531	160.0
276.7015380859375	100.0
276.8247375488281	128.0
276.8618469238281	160.0
276.8849792480469	148.0
276.9233703613281	148.0
276.9534912109375	464.0
276.9873352050781	196.0
277.0789489746094	131712.0
277.2143859863281	228.0
277.4151611328125	116.0
277.4488830566406	140.0
277.50335693359375	136.0
277.54205322265625	112.0
277.59210205078125	124.0
277.623046875	728.0
277.74615478515625	168.0
277.7884826660156	176.0
277.8228454589844	180.0
277.96337890625	188.0
278.081787109375	21396.0
278.169677734375	240.0
278.2079772949219	96.0
278.30902099609375	104.0
278.3824157714844	144.0
278.59844970703125	120.0
278.6278381347656	112.0
278.758056640625	212.0
279.07611083984375	37660.0
279.1272888183594	156.0
279.2363586425781	216.0
279.3738098144531	164.0
279.4640808105469	160.0
279.5490417480469	132.0
279.6422119140625	172.0
279.6754150390625	128.0
279.738525390625	144.0
279.8135986328125	132.0
279.8739318847656	116.0
279.9236145019531	192.0
279.9696350097656	124.0
279.9986267089844	228.0
280.07916259765625	4328.0
280.1192932128906	196.0
280.4478759765625	104.0
281.0903015136719	236.0
281.6099548339844	120.0
281.6661682128906	136.0
286.2076721191406	100.0
291.3128356933594	144.0
291.35443115234375	148.0
297.1918029785156	176.0
328.2712707519531	204.0
343.18194580078125	172.0
345.17584228515625	172.0
471.19073486328125	140.0
568.0084228515625	132.0
1274.64501953125	184.0
1459.3443603515625	212.0
1515.716064453125	252.0
1594.089111328125	152.0
1614.816650390625	160.0
1636.3624267578125	180.0
1642.4547119140625	200.0
1648.7603759765625	144.0
1744.503662109375	152.0
1795.344482421875	184.0
1816.9896240234375	204.0
1819.128173828125	144.0
1822.958740234375	244.0
1848.386962890625	156.0
1866.7611083984375	160.0
1901.6549072265625	152.0
1947.265380859375	140.0
1958.4530029296875	240.0
1995.69189453125	180.0
1999.072021484375	192.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079153
PEPMASS=341.174469
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Cinanserin [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CCCSc1ccccc1NC(=O)/C=C/c2ccccc2
INCHI=InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+
INCHIAUX=RSUVYMGADVXGOU-BUHFOSPRSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079153
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079153
SCANS=1137
44.887290954589844	160.0
45.31635665893555	152.0
45.5632209777832	248.0
45.77705001831055	160.0
46.21036911010742	160.0
46.417606353759766	200.0
46.45829391479492	240.0
46.85118103027344	192.0
47.432151794433594	140.0
47.54854202270508	192.0
47.69550323486328	156.0
47.79865264892578	148.0
48.06735610961914	164.0
48.234466552734375	164.0
48.62644958496094	192.0
48.6861457824707	176.0
48.813995361328125	140.0
49.12541198730469	148.0
49.213905334472656	176.0
49.27954864501953	172.0
49.42356491088867	184.0
49.528560638427734	180.0
49.59581756591797	156.0
50.08761215209961	156.0
50.430484771728516	172.0
50.47431182861328	164.0
50.564849853515625	140.0
50.74333190917969	176.0
50.853981018066406	148.0
51.136817932128906	156.0
51.17667770385742	144.0
51.22509765625	188.0
51.37763214111328	240.0
51.48183059692383	172.0
51.52182388305664	220.0
51.66798782348633	100.0
52.050376892089844	120.0
52.25155258178711	204.0
52.48806381225586	156.0
52.54834747314453	176.0
53.057430267333984	152.0
53.06903076171875	140.0
53.10942077636719	136.0
53.250423431396484	180.0
53.339054107666016	196.0
53.35795211791992	200.0
53.43241500854492	100.0
53.6666145324707	248.0
53.755592346191406	188.0
53.78770065307617	196.0
54.547950744628906	176.0
54.76719284057617	216.0
54.910160064697266	188.0
55.20404815673828	160.0
55.23954391479492	180.0
55.57881546020508	176.0
55.838783264160156	168.0
55.86555480957031	160.0
55.944427490234375	192.0
56.002498626708984	168.0
56.04719161987305	156.0
56.06358337402344	164.0
56.4307861328125	160.0
56.73320388793945	144.0
57.221466064453125	272.0
57.40529251098633	196.0
58.02219772338867	152.0
58.158721923828125	172.0
58.412479400634766	188.0
58.432254791259766	164.0
59.07146453857422	188.0
59.293479919433594	160.0
59.48674011230469	168.0
59.68254089355469	224.0
59.76491165161133	200.0
59.894229888916016	172.0
60.23358154296875	164.0
61.551021575927734	116.0
61.57870101928711	208.0
61.622440338134766	180.0
62.104591369628906	152.0
62.27096176147461	152.0
62.50519943237305	152.0
62.65005111694336	144.0
62.809261322021484	156.0
62.997108459472656	176.0
63.068214416503906	188.0
63.18048858642578	168.0
63.262779235839844	164.0
63.48618698120117	188.0
63.54011535644531	172.0
63.657569885253906	156.0
64.00581359863281	144.0
64.18746185302734	184.0
64.42687225341797	172.0
64.6251220703125	164.0
64.98401641845703	144.0
65.14134979248047	152.0
65.50489044189453	148.0
65.64027404785156	160.0
65.76126861572266	156.0
66.04078674316406	176.0
66.4295425415039	180.0
66.62921905517578	152.0
66.72510528564453	176.0
66.90894317626953	160.0
67.10445404052734	168.0
67.72379302978516	176.0
67.80899047851562	172.0
68.0449447631836	228.0
68.4743881225586	200.0
69.0487289428711	188.0
69.43460845947266	172.0
69.48802947998047	156.0
69.92305755615234	164.0
69.94303131103516	152.0
70.05625915527344	224.0
70.23796081542969	140.0
70.54855346679688	148.0
70.60205841064453	140.0
70.6689682006836	160.0
70.846435546875	184.0
70.88117980957031	168.0
71.52484893798828	184.0
71.63261413574219	172.0
71.82140350341797	148.0
71.95640563964844	196.0
72.55531311035156	156.0
72.7707748413086	172.0
72.80473327636719	176.0
72.97358703613281	184.0
72.99506378173828	156.0
73.13626861572266	140.0
73.32361602783203	144.0
73.34066009521484	184.0
73.54193115234375	140.0
73.67682647705078	156.0
74.58755493164062	172.0
74.82588195800781	156.0
74.93955993652344	160.0
75.0567626953125	160.0
75.10332489013672	188.0
75.14472961425781	184.0
75.18441772460938	216.0
75.31562805175781	164.0
75.32945251464844	180.0
75.41065979003906	140.0
76.38338470458984	152.0
76.406005859375	232.0
76.48143768310547	172.0
76.52435302734375	164.0
76.78398895263672	148.0
76.95848846435547	176.0
77.15766143798828	156.0
77.20195770263672	132.0
77.22236633300781	160.0
77.3196792602539	180.0
77.52873992919922	176.0
77.6953125	168.0
77.97450256347656	228.0
78.09757995605469	196.0
78.15387725830078	228.0
78.23307037353516	144.0
78.26652526855469	164.0
79.1086654663086	140.0
79.12814331054688	240.0
79.31742858886719	132.0
79.51811981201172	196.0
79.62464141845703	192.0
79.91189575195312	188.0
80.34554290771484	204.0
80.40799713134766	144.0
80.70989990234375	140.0
80.72777557373047	172.0
80.76712799072266	140.0
81.08940887451172	160.0
81.11808776855469	224.0
81.83489990234375	156.0
81.89612579345703	216.0
82.09437561035156	164.0
82.64350128173828	148.0
82.7412338256836	168.0
82.79012298583984	176.0
82.8625717163086	196.0
83.56702423095703	148.0
83.66893768310547	196.0
83.87478637695312	196.0
84.23060607910156	216.0
84.27810668945312	188.0
84.47189331054688	208.0
84.55005645751953	172.0
84.67506408691406	176.0
84.86930847167969	240.0
85.07662200927734	152.0
85.2180404663086	156.0
85.64482879638672	160.0
86.00068664550781	276.0
86.21492767333984	176.0
86.84944152832031	172.0
87.76306915283203	144.0
88.06351470947266	208.0
88.13565063476562	124.0
88.44868469238281	208.0
88.87973022460938	164.0
89.0843734741211	180.0
89.34003448486328	188.0
89.52072143554688	212.0
89.58099365234375	164.0
89.62055969238281	180.0
89.99371337890625	180.0
90.01667022705078	188.0
90.2850112915039	236.0
90.47582244873047	128.0
90.51776885986328	176.0
91.25186157226562	184.0
91.51740264892578	140.0
91.58890533447266	184.0
91.77375793457031	148.0
91.85194396972656	176.0
91.90727233886719	164.0
92.2379379272461	140.0
92.29692840576172	176.0
92.38299560546875	144.0
92.59162902832031	164.0
92.68740844726562	204.0
92.7219009399414	200.0
92.86761474609375	168.0
92.9712142944336	156.0
93.0	244.0
93.50933074951172	188.0
93.81366729736328	228.0
94.06472778320312	176.0
94.20926666259766	172.0
94.49152374267578	140.0
95.0650634765625	172.0
95.07864379882812	212.0
95.14076232910156	140.0
95.35636901855469	156.0
95.81169891357422	184.0
96.08853912353516	144.0
96.31303405761719	204.0
96.5945053100586	160.0
96.91667175292969	112.0
97.01748657226562	144.0
97.18026733398438	232.0
97.28035736083984	156.0
97.87825775146484	144.0
97.99030303955078	140.0
98.05730438232422	192.0
98.11249542236328	224.0
98.26435089111328	140.0
98.90660095214844	172.0
99.25527954101562	148.0
99.52910614013672	180.0
99.58868408203125	224.0
99.90673065185547	148.0
100.44657135009766	156.0
100.52438354492188	248.0
100.5762710571289	168.0
100.83192443847656	164.0
100.85590362548828	180.0
101.02387237548828	168.0
101.07948303222656	212.0
101.18597412109375	152.0
101.97230529785156	164.0
102.04674530029297	1064.0
102.16533660888672	148.0
102.54187774658203	140.0
102.82476806640625	136.0
102.86882781982422	128.0
102.89286041259766	148.0
102.951416015625	188.0
102.99293518066406	108.0
103.05510711669922	47436.0
103.22278594970703	208.0
103.38853454589844	96.0
103.83580780029297	176.0
103.89665985107422	160.0
104.05807495117188	4728.0
104.52989959716797	120.0
104.5570297241211	204.0
104.65677642822266	224.0
104.68016052246094	124.0
104.81249237060547	188.0
104.89409637451172	180.0
104.91120910644531	104.0
105.023193359375	140.0
105.06145477294922	308.0
105.12152099609375	256.0
105.28279113769531	180.0
105.59343719482422	168.0
105.84923553466797	156.0
105.92911529541016	144.0
105.96296691894531	164.0
106.1443099975586	176.0
106.2283935546875	164.0
106.25096130371094	188.0
106.75308227539062	208.0
106.84468841552734	192.0
106.93728637695312	204.0
107.8261947631836	152.0
108.0267562866211	196.0
108.16426086425781	128.0
108.40290832519531	168.0
108.67668151855469	192.0
108.92433166503906	196.0
109.26110076904297	172.0
109.48590087890625	168.0
109.50750732421875	192.0
109.55160522460938	144.0
109.80267333984375	188.0
109.9779281616211	224.0
110.2285385131836	164.0
110.24734497070312	240.0
110.37277221679688	196.0
110.63639068603516	192.0
111.0899658203125	172.0
111.36820983886719	152.0
111.43543243408203	156.0
111.50057220458984	164.0
111.59727478027344	160.0
111.76554107666016	160.0
111.8749771118164	264.0
111.90023803710938	224.0
111.93814086914062	212.0
112.40821838378906	144.0
112.57075500488281	212.0
112.66791534423828	156.0
112.72918701171875	168.0
113.21785736083984	256.0
113.3089370727539	156.0
113.3386001586914	176.0
113.85619354248047	164.0
113.89867401123047	260.0
114.10480499267578	140.0
114.472900390625	160.0
114.58152770996094	152.0
115.06138610839844	156.0
116.47259521484375	160.0
116.64450073242188	192.0
117.07540893554688	128.0
117.32474517822266	176.0
117.3829574584961	180.0
117.60301208496094	164.0
117.71095275878906	196.0
117.88592529296875	188.0
118.06929016113281	3172.0
119.07182312011719	352.0
119.56226348876953	156.0
119.74732208251953	152.0
120.03498077392578	184.0
120.06463623046875	356.0
120.08513641357422	200.0
120.29637145996094	208.0
120.93363189697266	184.0
120.98289489746094	136.0
121.15184020996094	180.0
121.5420913696289	152.0
121.58598327636719	144.0
121.71330261230469	196.0
121.92413330078125	160.0
121.9571533203125	180.0
122.0099105834961	172.0
122.57776641845703	156.0
122.68356323242188	148.0
122.70780944824219	208.0
122.86219024658203	188.0
122.93941497802734	148.0
123.67094421386719	144.0
123.77499389648438	152.0
123.7971420288086	160.0
124.02213287353516	576.0
125.02505493164062	140.0
125.99917602539062	176.0
126.26517486572266	236.0
126.68821716308594	172.0
126.95269775390625	192.0
127.3454360961914	152.0
127.66007232666016	180.0
127.72754669189453	200.0
127.79727935791016	332.0
127.90755462646484	144.0
127.97959899902344	140.0
128.4870147705078	204.0
129.1533966064453	176.0
129.42918395996094	180.0
129.55828857421875	168.0
129.69424438476562	152.0
129.83184814453125	196.0
130.2478790283203	224.0
130.45346069335938	128.0
130.57504272460938	136.0
130.59791564941406	184.0
130.64920043945312	148.0
130.67710876464844	188.0
130.75718688964844	148.0
130.9366455078125	184.0
130.96165466308594	144.0
130.9765167236328	176.0
131.00025939941406	408.0
131.0506134033203	150556.0
131.18389892578125	160.0
131.26197814941406	144.0
131.31564331054688	260.0
131.42437744140625	2344.0
131.50701904296875	148.0
131.59068298339844	136.0
131.63783264160156	140.0
131.8172149658203	208.0
131.89710998535156	152.0
132.00120544433594	176.0
132.05287170410156	17984.0
132.2078094482422	120.0
132.41795349121094	96.0
132.5624542236328	144.0
132.85366821289062	268.0
132.9048614501953	140.0
132.96170043945312	200.0
133.05494689941406	1136.0
133.08958435058594	240.0
133.3140411376953	184.0
133.37374877929688	152.0
133.49330139160156	164.0
133.86294555664062	132.0
134.06581115722656	148.0
134.1002655029297	104.0
134.55661010742188	116.0
135.03897094726562	160.0
135.369384765625	180.0
135.5120086669922	140.0
135.5732421875	212.0
135.84915161132812	224.0
135.9071502685547	156.0
136.00083923339844	152.0
136.02333068847656	796.0
136.20431518554688	192.0
137.02777099609375	280.0
137.14987182617188	236.0
137.22825622558594	152.0
137.7445068359375	148.0
138.03871154785156	2044.0
138.25604248046875	152.0
138.61900329589844	172.0
138.71041870117188	140.0
138.9908447265625	112.0
139.03965759277344	320.0
139.525634765625	164.0
140.03091430664062	140.0
140.76905822753906	180.0
141.08802795410156	144.0
141.41287231445312	132.0
141.6014862060547	148.0
142.9094696044922	176.0
143.40240478515625	180.0
144.07769775390625	152.0
144.57742309570312	140.0
145.10198974609375	152.0
145.5218505859375	192.0
146.3922882080078	144.0
147.52870178222656	176.0
148.0213165283203	736.0
148.29359436035156	140.0
148.67921447753906	200.0
150.0021209716797	128.0
150.7125244140625	200.0
150.77117919921875	148.0
151.01077270507812	148.0
151.04788208007812	140.0
151.5713653564453	140.0
151.93177795410156	140.0
152.95867919921875	172.0
153.98960876464844	192.0
154.1427764892578	156.0
154.97415161132812	172.0
155.2046661376953	160.0
155.94195556640625	144.0
158.51243591308594	192.0
158.87095642089844	164.0
159.0666961669922	180.0
159.68731689453125	156.0
159.94898986816406	164.0
160.05723571777344	152.0
160.1630096435547	140.0
160.4225616455078	172.0
161.6373748779297	200.0
161.65509033203125	200.0
161.88038635253906	144.0
162.5890350341797	200.0
163.61456298828125	208.0
163.8055419921875	152.0
164.0537872314453	240.0
164.2439727783203	172.0
164.3358154296875	148.0
165.75489807128906	140.0
166.06886291503906	5208.0
166.24725341796875	220.0
166.7223358154297	144.0
166.78485107421875	148.0
167.07278442382812	472.0
167.42015075683594	172.0
168.03038024902344	204.0
168.0671844482422	168.0
168.8801727294922	112.0
169.2865753173828	148.0
170.9297332763672	152.0
170.96336364746094	104.0
172.0113067626953	152.0
172.30902099609375	140.0
173.31370544433594	148.0
173.7777862548828	140.0
174.04287719726562	200.0
174.80780029296875	180.0
175.2053680419922	276.0
176.01797485351562	192.0
176.5700225830078	144.0
177.34310913085938	164.0
177.84971618652344	224.0
177.9957275390625	144.0
179.12071228027344	216.0
179.4564971923828	176.0
179.56582641601562	244.0
179.71788024902344	220.0
180.41226196289062	184.0
180.9259033203125	144.0
181.19908142089844	184.0
181.9016876220703	192.0
182.20013427734375	144.0
184.8014678955078	144.0
184.8231201171875	244.0
185.56796264648438	176.0
185.784912109375	216.0
185.8852996826172	148.0
185.9341583251953	152.0
187.25	148.0
189.4554443359375	184.0
189.65159606933594	144.0
190.03689575195312	136.0
190.4525146484375	124.0
192.03887939453125	244.0
193.01300048828125	164.0
193.76583862304688	168.0
193.84341430664062	192.0
195.3429718017578	176.0
195.94668579101562	140.0
197.36380004882812	152.0
197.44570922851562	196.0
198.257568359375	180.0
199.3435821533203	148.0
202.33053588867188	144.0
202.562744140625	172.0
202.6392364501953	184.0
202.7582550048828	156.0
203.42762756347656	140.0
203.65480041503906	144.0
204.16636657714844	144.0
204.90074157714844	184.0
205.36669921875	172.0
206.02761840820312	160.0
206.67376708984375	172.0
206.9800262451172	208.0
207.08885192871094	140.0
207.7768096923828	240.0
207.81124877929688	144.0
209.11209106445312	264.0
209.61407470703125	156.0
210.0897979736328	172.0
210.90988159179688	140.0
210.9619140625	176.0
210.99661254882812	160.0
211.12716674804688	22188.0
212.13072204589844	2760.0
212.699951171875	204.0
213.12420654296875	856.0
214.11575317382812	148.0
214.12648010253906	140.0
214.53549194335938	164.0
215.0780487060547	160.0
219.15733337402344	200.0
219.53759765625	192.0
222.01951599121094	152.0
222.09120178222656	328.0
222.31329345703125	164.0
223.0445556640625	136.0
223.0935821533203	156.0
223.49209594726562	140.0
223.67959594726562	184.0
224.95541381835938	140.0
225.05990600585938	144.0
226.06907653808594	304.0
226.3546142578125	188.0
226.58226013183594	204.0
226.8040008544922	164.0
227.0718536376953	212.0
228.13076782226562	140.0
230.2791748046875	252.0
230.45135498046875	192.0
233.70773315429688	188.0
234.66983032226562	168.0
234.85926818847656	140.0
235.0636749267578	168.0
235.0880889892578	212.0
236.148193359375	148.0
236.19406127929688	156.0
236.58575439453125	144.0
237.10354614257812	256.0
237.1485137939453	156.0
238.07015991210938	720.0
238.7427520751953	144.0
238.95358276367188	96.0
239.07823181152344	276.0
239.86962890625	232.0
241.50303649902344	252.0
241.6886444091797	152.0
242.34814453125	144.0
243.40274047851562	164.0
244.37611389160156	124.0
245.3753662109375	176.0
247.82257080078125	184.0
248.66297912597656	152.0
249.3256378173828	172.0
250.55908203125	160.0
250.65675354003906	148.0
250.7103271484375	204.0
251.8618927001953	184.0
252.36436462402344	192.0
252.87367248535156	200.0
254.0654296875	436.0
254.91600036621094	152.0
255.06802368164062	192.0
255.7174072265625	152.0
256.6348571777344	236.0
257.636962890625	188.0
259.1053771972656	168.0
259.73370361328125	168.0
260.7514953613281	144.0
263.2126770019531	148.0
263.6949768066406	188.0
264.71307373046875	248.0
264.7357177734375	192.0
265.01226806640625	160.0
265.24761962890625	172.0
272.40704345703125	140.0
272.6534729003906	200.0
273.0743103027344	180.0
273.2914123535156	164.0
273.77508544921875	128.0
275.1073303222656	156.0
275.4705810546875	152.0
275.7613525390625	176.0
277.93707275390625	164.0
278.0498962402344	140.0
279.5187072753906	172.0
279.6998596191406	136.0
280.2945556640625	184.0
280.6112060546875	196.0
281.7626037597656	156.0
282.2822570800781	120.0
282.49139404296875	176.0
284.0322570800781	164.0
284.8412170410156	192.0
284.93328857421875	108.0
287.28173828125	144.0
288.3520812988281	144.0
289.2826232910156	148.0
289.61749267578125	140.0
289.8851318359375	224.0
290.4852294921875	164.0
290.73968505859375	164.0
290.7973937988281	176.0
292.4968566894531	156.0
294.1223449707031	160.0
294.69989013671875	160.0
295.91064453125	256.0
296.11175537109375	3140.0
296.2471008300781	144.0
296.79803466796875	148.0
297.1135559082031	1080.0
297.6009216308594	144.0
298.0611877441406	180.0
298.10369873046875	284.0
299.5815124511719	148.0
301.7560729980469	188.0
304.28173828125	224.0
306.5181884765625	140.0
309.0776672363281	196.0
309.7428283691406	140.0
309.8619384765625	156.0
310.4543151855469	208.0
310.6647644042969	188.0
312.02734375	180.0
312.1363525390625	204.0
312.18206787109375	140.0
313.470458984375	144.0
313.7418518066406	152.0
314.3787841796875	248.0
314.44024658203125	180.0
315.2277526855469	220.0
315.7332763671875	148.0
319.3543701171875	156.0
320.030517578125	192.0
320.6360778808594	188.0
320.7979431152344	208.0
321.1601867675781	160.0
321.6668701171875	212.0
321.7453918457031	156.0
322.1775207519531	220.0
324.0450134277344	252.0
324.1955261230469	188.0
324.35321044921875	148.0
326.1212158203125	132.0
327.19830322265625	156.0
328.63995361328125	192.0
328.8564758300781	180.0
330.4016418457031	152.0
330.7178649902344	220.0
331.7393493652344	148.0
332.25067138671875	156.0
333.9506530761719	216.0
334.4127197265625	212.0
334.4527587890625	148.0
335.4872741699219	140.0
336.136474609375	140.0
336.2021789550781	188.0
336.6760559082031	144.0
337.1089782714844	152.0
337.56475830078125	176.0
337.6854248046875	308.0
338.2691345214844	100.0
338.4129333496094	104.0
338.45025634765625	140.0
338.63336181640625	220.0
339.0171203613281	120.0
339.072998046875	112.0
339.1434020996094	152.0
339.2579040527344	132.0
339.3565368652344	296.0
339.4015197753906	168.0
339.49224853515625	180.0
339.5299377441406	156.0
339.58831787109375	156.0
339.62078857421875	152.0
339.6577453613281	332.0
339.70733642578125	232.0
339.73712158203125	108.0
339.8173828125	180.0
339.87213134765625	196.0
339.88519287109375	124.0
339.9367370605469	280.0
340.01141357421875	164.0
340.1142578125	200.0
340.1572570800781	204.0
340.2878723144531	152.0
340.3822021484375	308.0
340.4111633300781	100.0
340.4344787597656	220.0
340.4763488769531	112.0
340.54351806640625	196.0
340.6341552734375	296.0
340.6861572265625	360.0
340.7268371582031	112.0
340.7731628417969	344.0
340.83319091796875	268.0
340.8666076660156	348.0
340.9106750488281	304.0
340.9395446777344	152.0
340.9849853515625	176.0
341.0127258300781	128.0
341.06781005859375	136.0
341.1283874511719	512.0
341.17181396484375	229012.0
341.271728515625	140.0
341.3001403808594	272.0
341.33953857421875	152.0
341.42132568359375	276.0
341.50421142578125	340.0
341.57159423828125	244.0
341.6074523925781	364.0
341.6539306640625	256.0
341.728271484375	344.0
341.7760009765625	8236.0
341.8259582519531	288.0
341.91998291015625	232.0
342.0389404296875	336.0
342.0848083496094	316.0
342.1077575683594	400.0
342.1728210449219	109168.0
342.2901611328125	380.0
342.39508056640625	180.0
342.50274658203125	128.0
342.557373046875	168.0
342.6035461425781	252.0
342.6429748535156	196.0
342.677978515625	204.0
342.7164611816406	228.0
342.786865234375	212.0
342.8415832519531	124.0
342.9059753417969	144.0
342.98052978515625	136.0
343.0336608886719	156.0
343.0719909667969	144.0
343.1689147949219	25132.0
343.26788330078125	128.0
343.34625244140625	240.0
343.4739074707031	100.0
343.61334228515625	112.0
343.6843566894531	184.0
343.7096862792969	100.0
343.7966613769531	220.0
343.8307189941406	108.0
343.8686828613281	156.0
343.9034423828125	196.0
343.9543762207031	188.0
344.02532958984375	236.0
344.0705871582031	188.0
344.1132507324219	216.0
344.1690368652344	4172.0
344.2370300292969	192.0
344.3174743652344	208.0
344.3615417480469	136.0
344.41827392578125	216.0
344.4302673339844	148.0
344.45916748046875	208.0
344.5279846191406	420.0
344.5917053222656	120.0
344.6365051269531	304.0
344.7508239746094	144.0
344.7964172363281	108.0
344.8787536621094	148.0
344.9104309082031	96.0
344.9970703125	100.0
345.02813720703125	144.0
345.0793762207031	104.0
345.15045166015625	148.0
345.2394714355469	104.0
345.29486083984375	104.0
345.32666015625	112.0
345.42218017578125	104.0
345.5856628417969	152.0
346.1817321777344	188.0
346.3905334472656	208.0
347.0376281738281	124.0
347.8765563964844	116.0
348.164306640625	100.0
352.438720703125	120.0
356.2650146484375	140.0
360.9989929199219	144.0
377.7017517089844	156.0
437.4422607421875	248.0
486.13861083984375	108.0
553.4220581054688	116.0
568.9120483398438	144.0
586.3109741210938	116.0
637.5499267578125	156.0
735.981201171875	148.0
869.1814575195312	156.0
924.771240234375	152.0
927.6605224609375	148.0
1040.9013671875	144.0
1042.404541015625	172.0
1072.094970703125	232.0
1107.01123046875	164.0
1125.5504150390625	152.0
1141.9920654296875	120.0
1153.4991455078125	176.0
1170.255859375	140.0
1178.952880859375	176.0
1187.2362060546875	172.0
1188.210205078125	140.0
1193.62255859375	144.0
1197.8206787109375	208.0
1201.88134765625	184.0
1205.2923583984375	256.0
1212.49609375	260.0
1222.0927734375	232.0
1232.0904541015625	248.0
1239.36669921875	300.0
1241.308349609375	160.0
1248.61181640625	172.0
1261.423095703125	200.0
1261.7764892578125	204.0
1263.5374755859375	180.0
1282.7613525390625	164.0
1291.1722412109375	208.0
1295.662353515625	184.0
1296.41259765625	176.0
1311.8367919921875	184.0
1313.03369140625	236.0
1324.4169921875	220.0
1328.6722412109375	144.0
1339.7806396484375	188.0
1349.19482421875	224.0
1359.148193359375	156.0
1360.6748046875	148.0
1362.7825927734375	144.0
1363.3116455078125	216.0
1371.3778076171875	156.0
1372.896484375	172.0
1381.7454833984375	144.0
1410.9510498046875	204.0
1415.058349609375	208.0
1421.9622802734375	204.0
1422.059814453125	140.0
1424.1771240234375	152.0
1424.5902099609375	172.0
1424.943359375	208.0
1429.1688232421875	144.0
1434.5008544921875	212.0
1435.9786376953125	172.0
1436.6953125	168.0
1437.9403076171875	164.0
1441.754150390625	164.0
1445.5050048828125	164.0
1451.1251220703125	192.0
1452.9453125	152.0
1453.2841796875	176.0
1453.5675048828125	168.0
1457.553955078125	180.0
1458.6483154296875	140.0
1459.6138916015625	140.0
1464.530029296875	140.0
1469.5003662109375	208.0
1474.853515625	152.0
1475.94677734375	160.0
1477.9124755859375	160.0
1485.090576171875	156.0
1485.6734619140625	156.0
1488.728271484375	176.0
1490.203125	168.0
1491.2174072265625	148.0
1496.7640380859375	216.0
1503.8961181640625	124.0
1504.2037353515625	200.0
1506.4971923828125	172.0
1508.9779052734375	212.0
1509.1480712890625	152.0
1510.1708984375	152.0
1512.5906982421875	200.0
1513.58935546875	160.0
1515.6884765625	204.0
1522.6546630859375	144.0
1523.439208984375	200.0
1523.8121337890625	176.0
1526.454833984375	172.0
1527.2169189453125	260.0
1536.9002685546875	168.0
1538.383056640625	236.0
1541.4993896484375	140.0
1552.40380859375	212.0
1558.41650390625	192.0
1560.6014404296875	188.0
1563.47265625	176.0
1566.0076904296875	232.0
1567.5360107421875	168.0
1570.6895751953125	144.0
1572.7806396484375	160.0
1587.8846435546875	172.0
1589.52685546875	160.0
1591.32861328125	284.0
1592.940673828125	160.0
1593.647705078125	148.0
1595.10205078125	228.0
1596.5650634765625	196.0
1603.945556640625	220.0
1604.2803955078125	196.0
1607.901611328125	180.0
1613.197265625	152.0
1613.4849853515625	156.0
1622.7720947265625	264.0
1623.3333740234375	180.0
1624.704833984375	152.0
1629.6826171875	168.0
1631.338134765625	168.0
1639.169189453125	140.0
1642.0712890625	232.0
1644.556396484375	156.0
1646.3890380859375	148.0
1647.85107421875	152.0
1650.591064453125	172.0
1654.8065185546875	216.0
1657.2445068359375	156.0
1658.857177734375	144.0
1659.3436279296875	160.0
1661.1763916015625	148.0
1661.8741455078125	212.0
1663.3267822265625	144.0
1666.07958984375	196.0
1667.96484375	180.0
1668.6234130859375	148.0
1673.5050048828125	220.0
1676.893798828125	192.0
1679.2662353515625	148.0
1680.63671875	216.0
1683.248779296875	188.0
1686.48388671875	228.0
1688.5850830078125	152.0
1689.0841064453125	148.0
1689.3212890625	168.0
1692.7177734375	244.0
1698.200439453125	192.0
1699.808349609375	228.0
1700.9737548828125	152.0
1703.9383544921875	196.0
1710.5335693359375	164.0
1711.019287109375	184.0
1712.0980224609375	152.0
1712.8062744140625	144.0
1713.9102783203125	144.0
1714.2645263671875	192.0
1715.1134033203125	176.0
1715.2618408203125	204.0
1716.531494140625	172.0
1718.4285888671875	172.0
1720.3843994140625	248.0
1722.275390625	148.0
1723.126220703125	180.0
1724.316162109375	200.0
1724.59716796875	176.0
1734.6375732421875	140.0
1739.44873046875	152.0
1740.9183349609375	160.0
1744.790283203125	140.0
1747.06884765625	224.0
1750.1617431640625	148.0
1750.6229248046875	256.0
1750.6895751953125	160.0
1753.8316650390625	164.0
1753.9971923828125	156.0
1754.280517578125	192.0
1754.614013671875	236.0
1755.3978271484375	152.0
1757.9405517578125	160.0
1761.899658203125	216.0
1762.45947265625	180.0
1763.086181640625	140.0
1763.6962890625	164.0
1764.6158447265625	268.0
1770.054443359375	148.0
1775.576904296875	140.0
1776.6337890625	164.0
1780.8812255859375	152.0
1782.225341796875	148.0
1783.19580078125	140.0
1783.5111083984375	140.0
1784.18359375	140.0
1785.1336669921875	192.0
1785.81494140625	252.0
1787.14404296875	168.0
1791.277587890625	140.0
1792.0106201171875	168.0
1793.9573974609375	160.0
1795.6943359375	236.0
1800.5606689453125	144.0
1801.6451416015625	160.0
1805.94775390625	204.0
1808.3505859375	204.0
1810.213134765625	176.0
1816.3321533203125	144.0
1819.8795166015625	176.0
1823.3792724609375	180.0
1823.481201171875	164.0
1826.8228759765625	188.0
1831.26611328125	176.0
1832.1690673828125	192.0
1832.5780029296875	164.0
1835.1519775390625	188.0
1839.2581787109375	244.0
1839.9979248046875	164.0
1846.1756591796875	184.0
1849.144287109375	176.0
1849.9573974609375	156.0
1850.90771484375	164.0
1850.9677734375	148.0
1851.772705078125	208.0
1853.5374755859375	160.0
1857.2752685546875	164.0
1864.753662109375	152.0
1870.8521728515625	188.0
1870.99853515625	140.0
1872.15234375	176.0
1872.5484619140625	160.0
1878.202880859375	236.0
1880.60986328125	168.0
1881.269287109375	212.0
1883.485107421875	160.0
1885.5452880859375	132.0
1886.7083740234375	144.0
1888.9913330078125	148.0
1889.8392333984375	196.0
1894.4276123046875	188.0
1896.489990234375	148.0
1898.9176025390625	148.0
1901.9022216796875	140.0
1902.9930419921875	112.0
1904.7503662109375	220.0
1909.0263671875	184.0
1909.652587890625	168.0
1914.0994873046875	184.0
1915.8414306640625	148.0
1917.462158203125	220.0
1922.5377197265625	228.0
1923.6898193359375	176.0
1923.9168701171875	172.0
1926.755126953125	196.0
1927.7510986328125	168.0
1929.2750244140625	340.0
1931.9566650390625	196.0
1933.1029052734375	148.0
1935.2210693359375	192.0
1935.527587890625	212.0
1940.0133056640625	156.0
1943.7584228515625	188.0
1946.189697265625	216.0
1947.436767578125	156.0
1947.7529296875	140.0
1949.562255859375	128.0
1954.6015625	160.0
1957.5780029296875	116.0
1957.9554443359375	160.0
1958.343017578125	204.0
1958.7745361328125	144.0
1959.1885986328125	172.0
1959.5675048828125	268.0
1962.504150390625	164.0
1962.599365234375	216.0
1963.0225830078125	208.0
1964.4866943359375	180.0
1966.322021484375	144.0
1969.4210205078125	140.0
1972.7169189453125	176.0
1975.0159912109375	152.0
1976.7410888671875	204.0
1977.7235107421875	188.0
1981.3009033203125	148.0
1983.1883544921875	276.0
1984.1103515625	148.0
1987.9775390625	276.0
1993.0833740234375	152.0
1993.7764892578125	156.0
1997.8944091796875	132.0
1998.080078125	188.0
1998.7117919921875	180.0
1999.0321044921875	192.0
1999.62841796875	188.0
2002.0321044921875	184.0
2002.56640625	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079154
PEPMASS=319.16684
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Fluvoxamine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F
INCHI=InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3
INCHIAUX=CJOFXWAVKWHTFT-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079154
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079154
SCANS=1224
86.37940979003906	236.0
130.05906677246094	140.0
131.07398986816406	144.0
172.1182098388672	200.0
176.92709350585938	184.0
187.06198120117188	164.0
189.28707885742188	200.0
191.06838989257812	184.0
200.0688934326172	512.0
200.164794921875	232.0
208.13540649414062	140.0
211.08607482910156	212.0
226.08465576171875	304.0
228.1031494140625	280.0
234.98109436035156	144.0
235.0909423828125	152.0
242.09759521484375	180.0
244.0887908935547	132.0
251.8016815185547	148.0
258.1112060546875	1764.0
259.1170349121094	1152.0
260.03509521484375	220.0
260.1258239746094	544.0
261.1223449707031	144.0
270.11224365234375	152.0
274.03857421875	128.0
291.1060791015625	164.0
299.902099609375	140.0
301.40673828125	140.0
310.78729248046875	176.0
315.0826416015625	204.0
317.100341796875	1036.0
317.1806945800781	168.0
317.20947265625	264.0
318.1086120605469	344.0
318.2088928222656	100.0
318.3270568847656	176.0
319.1614074707031	2276.0
319.21044921875	252.0
319.382568359375	164.0
319.4857482910156	192.0
320.168212890625	388.0
321.13275146484375	196.0
321.2135925292969	180.0
322.2701416015625	144.0
325.2030334472656	152.0
330.1423645019531	308.0
330.16766357421875	148.0
333.4850158691406	152.0
335.1051940917969	508.0
337.1148681640625	140.0
377.9413146972656	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079155
PEPMASS=201.162979
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="N,N'-DIACETYL-1,6-DIAMINOHEXANE" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(=O)NCCCCCCNC(=O)C
INCHI=InChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)
INCHIAUX=BNQSTAOJRULKNX-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079155
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079155
SCANS=1004
45.20651626586914	144.0
46.22385787963867	244.0
46.833431243896484	180.0
46.94382095336914	212.0
48.11009979248047	168.0
48.239952087402344	148.0
48.851505279541016	164.0
49.20408630371094	164.0
49.397926330566406	176.0
49.81748580932617	164.0
51.008758544921875	256.0
51.227901458740234	164.0
52.027313232421875	152.0
52.49204635620117	148.0
53.15166091918945	160.0
53.6550178527832	256.0
54.66997528076172	188.0
55.853607177734375	160.0
55.93693542480469	164.0
56.341064453125	152.0
56.59531784057617	164.0
58.03427505493164	168.0
58.34855651855469	144.0
58.426116943359375	220.0
58.677406311035156	196.0
62.31332015991211	152.0
62.55393600463867	196.0
64.28471374511719	188.0
64.4140396118164	216.0
64.8604736328125	144.0
65.2988052368164	332.0
66.01323699951172	172.0
66.86073303222656	144.0
68.8850326538086	232.0
69.09001922607422	192.0
69.22242736816406	140.0
69.53741455078125	140.0
71.04083251953125	152.0
72.02726745605469	140.0
72.30793762207031	180.0
72.95365905761719	216.0
73.73143768310547	180.0
74.71395111083984	192.0
74.99291229248047	204.0
75.35356903076172	196.0
75.9508056640625	152.0
76.30158996582031	220.0
78.04827117919922	164.0
79.04134368896484	156.0
82.12135314941406	176.0
82.34876251220703	148.0
82.5439453125	140.0
82.98030853271484	140.0
84.08628845214844	248.0
85.22898864746094	208.0
85.90306091308594	148.0
89.94673156738281	180.0
90.26223754882812	176.0
90.7886734008789	144.0
92.11719512939453	196.0
92.14012145996094	144.0
92.21082305908203	256.0
94.21498107910156	160.0
94.71599578857422	172.0
95.21446228027344	200.0
95.2960433959961	148.0
95.60716247558594	160.0
97.05072784423828	188.0
97.56511688232422	172.0
97.80707550048828	160.0
98.25242614746094	144.0
99.3484115600586	172.0
99.41388702392578	156.0
99.59256744384766	372.0
100.08145904541016	176.0
100.11294555664062	11584.0
101.11624145507812	1280.0
101.15185546875	144.0
102.72728729248047	188.0
102.9472885131836	168.0
104.06704711914062	180.0
105.57493591308594	156.0
105.9413070678711	168.0
106.3719482421875	208.0
107.77236938476562	176.0
108.47602081298828	156.0
109.32134246826172	188.0
110.42285919189453	152.0
110.56512451171875	232.0
110.60488891601562	180.0
112.92992401123047	164.0
113.37240600585938	184.0
113.45294952392578	140.0
113.88795471191406	172.0
114.33016967773438	168.0
115.98326873779297	192.0
116.00899505615234	196.0
117.03378295898438	168.0
117.13960266113281	916.0
117.23626708984375	172.0
118.80167388916016	344.0
119.0013427734375	188.0
120.20719909667969	196.0
121.95704650878906	160.0
122.05772399902344	292.0
123.01435089111328	172.0
124.11168670654297	156.0
124.79999542236328	160.0
126.60523223876953	144.0
127.13204956054688	164.0
127.89168548583984	160.0
129.58761596679688	144.0
129.73492431640625	164.0
130.14556884765625	192.0
130.6387481689453	144.0
130.7115478515625	164.0
131.6758575439453	220.0
131.8540496826172	164.0
132.3367156982422	236.0
134.60386657714844	148.0
135.1146697998047	168.0
135.2743377685547	184.0
138.54156494140625	168.0
139.57424926757812	168.0
139.84007263183594	140.0
140.1085205078125	156.0
141.1403045654297	1400.0
141.20140075683594	204.0
141.51849365234375	152.0
141.91416931152344	168.0
141.9707489013672	148.0
142.08535766601562	176.0
142.12356567382812	28188.0
142.23300170898438	112.0
142.36500549316406	164.0
142.9045867919922	288.0
142.97596740722656	156.0
143.12583923339844	2336.0
143.1680450439453	176.0
143.9939727783203	144.0
144.0238494873047	144.0
144.1317596435547	324.0
145.1162567138672	180.0
146.64993286132812	180.0
147.93255615234375	172.0
148.1650390625	204.0
148.40013122558594	176.0
151.5320281982422	156.0
151.58348083496094	208.0
151.73789978027344	212.0
154.63723754882812	140.0
154.88978576660156	160.0
155.0830535888672	168.0
155.8672637939453	244.0
156.01141357421875	224.0
157.97900390625	152.0
158.6368865966797	112.0
158.7002716064453	156.0
158.77049255371094	180.0
158.8106231689453	152.0
158.95761108398438	316.0
159.0844268798828	136.0
159.150146484375	63776.0
159.37057495117188	144.0
159.42092895507812	120.0
159.71900939941406	140.0
159.96563720703125	152.0
160.15277099609375	5632.0
160.37704467773438	152.0
160.79837036132812	108.0
160.84115600585938	232.0
160.9361114501953	104.0
161.1543426513672	296.0
161.4247589111328	148.0
162.05755615234375	152.0
164.1979217529297	184.0
166.36773681640625	152.0
169.02239990234375	148.0
169.4755096435547	164.0
169.66729736328125	180.0
169.9422149658203	212.0
175.03138732910156	140.0
176.01756286621094	160.0
183.14918518066406	5392.0
184.1513671875	928.0
185.36180114746094	264.0
189.2405242919922	184.0
193.89590454101562	192.0
195.06719970703125	152.0
196.06640625	184.0
197.912841796875	252.0
200.0211944580078	152.0
200.16123962402344	172.0
200.35067749023438	164.0
200.7635498046875	140.0
200.87782287597656	176.0
200.9088592529297	144.0
200.9850311279297	164.0
201.02171325683594	200.0
201.04200744628906	168.0
201.12399291992188	412.0
201.16079711914062	52244.0
201.29611206054688	172.0
201.34353637695312	116.0
201.5489959716797	120.0
201.91163635253906	216.0
202.0155487060547	164.0
202.1627960205078	5008.0
202.74673461914062	160.0
203.165283203125	228.0
203.25747680664062	108.0
203.43313598632812	176.0
203.45433044433594	100.0
203.63165283203125	96.0
203.6769561767578	108.0
203.77676391601562	140.0
211.99647521972656	124.0
218.06539916992188	160.0
239.14865112304688	168.0
1283.8011474609375	184.0
1415.648681640625	180.0
1434.816162109375	148.0
1446.283203125	164.0
1518.65625	168.0
1561.386474609375	144.0
1563.967041015625	160.0
1592.0020751953125	172.0
1595.57763671875	188.0
1596.6669921875	188.0
1600.8529052734375	148.0
1605.2117919921875	204.0
1606.0491943359375	200.0
1608.44287109375	188.0
1612.220703125	152.0
1635.5758056640625	256.0
1645.6527099609375	168.0
1652.862548828125	176.0
1655.8740234375	212.0
1659.366455078125	148.0
1684.51318359375	164.0
1690.5469970703125	148.0
1695.944091796875	176.0
1725.4388427734375	160.0
1729.6507568359375	176.0
1741.1741943359375	192.0
1745.30419921875	220.0
1756.4637451171875	148.0
1805.8023681640625	140.0
1817.1448974609375	148.0
1820.4212646484375	144.0
1823.420166015625	180.0
1834.0421142578125	152.0
1840.909912109375	140.0
1847.5767822265625	148.0
1849.099853515625	156.0
1852.2763671875	148.0
1852.3963623046875	144.0
1856.776123046875	160.0
1859.1268310546875	156.0
1866.866943359375	212.0
1873.67529296875	192.0
1885.064453125	212.0
1887.7874755859375	192.0
1888.89453125	204.0
1900.58154296875	180.0
1906.8338623046875	140.0
1915.203857421875	144.0
1922.1171875	216.0
1943.049560546875	168.0
1944.6605224609375	180.0
1948.0323486328125	164.0
1955.20703125	184.0
1957.258056640625	180.0
1961.9276123046875	176.0
1969.5517578125	184.0
1978.8282470703125	184.0
1987.478759765625	164.0
2003.3663330078125	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079156
PEPMASS=230.058716
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="Pyrazinecarboxamide, 3,5-diamino-N-(aminoiminomethyl)-6-chloro- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
INCHI=InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
INCHIAUX=XSDQTOBWRPYKKA-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079156
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079156
SCANS=971
45.65324020385742	236.0
46.6524543762207	144.0
49.85121154785156	232.0
50.669593811035156	144.0
53.523780822753906	152.0
59.74024963378906	140.0
61.383575439453125	156.0
62.06220245361328	188.0
65.27308654785156	152.0
81.21485137939453	184.0
82.62895965576172	204.0
88.78024291992188	172.0
90.9879150390625	212.0
91.26150512695312	152.0
93.36304473876953	164.0
94.78187561035156	148.0
98.1419906616211	208.0
99.31668090820312	160.0
100.98979187011719	188.0
105.40528106689453	160.0
107.0339584350586	164.0
107.1534194946289	156.0
108.04304504394531	768.0
114.9737777709961	164.0
116.00199890136719	2868.0
116.07917022705078	116.0
117.83181762695312	140.0
117.99772644042969	468.0
119.7537612915039	160.0
119.95204162597656	148.0
123.56462860107422	192.0
123.61331176757812	168.0
124.0540542602539	140.0
129.28195190429688	152.0
129.94358825683594	232.0
134.1632080078125	160.0
142.3080291748047	140.0
143.01187133789062	1716.0
144.01309204101562	144.0
145.00921630859375	384.0
145.932373046875	264.0
153.932861328125	168.0
160.90933227539062	156.0
161.0234832763672	1856.0
163.0191650390625	808.0
164.0251922607422	144.0
170.02786254882812	156.0
170.75531005859375	204.0
171.0071258544922	12844.0
171.7032928466797	160.0
172.0083770751953	864.0
173.00357055664062	3452.0
173.40155029296875	160.0
174.0091552734375	180.0
183.11148071289062	176.0
186.6212615966797	184.0
187.9422607421875	152.0
188.03221130371094	544.0
189.01673889160156	2600.0
190.02001953125	344.0
190.79063415527344	232.0
191.01547241210938	648.0
192.0159454345703	164.0
194.603271484375	184.0
195.99769592285156	188.0
200.2042236328125	172.0
201.0443115234375	144.0
205.5078582763672	196.0
213.02719116210938	460.0
213.86825561523438	172.0
213.92356872558594	176.0
214.0298309326172	296.0
215.02479553222656	148.0
218.53591918945312	164.0
228.23281860351562	164.0
229.3135223388672	148.0
229.8231658935547	276.0
230.0042266845703	244.0
230.05593872070312	24116.0
230.15032958984375	152.0
230.5828857421875	108.0
231.0565643310547	1804.0
232.0526885986328	5292.0
232.1768798828125	244.0
232.3532257080078	152.0
232.5527801513672	160.0
232.6907958984375	120.0
233.0531768798828	316.0
233.08726501464844	172.0
324.19122314453125	156.0
1558.6116943359375	156.0
1604.5980224609375	140.0
1693.609130859375	160.0
1736.2115478515625	200.0
1830.18310546875	176.0
1869.551025390625	152.0
1893.672607421875	200.0
1917.4693603515625	160.0
1948.146728515625	148.0
1965.102783203125	196.0
1993.3394775390625	176.0
2000.855224609375	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079157
PEPMASS=332.070953
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=SKF 83566 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCc2cc(Br)c(O)cc2C(C1)c3ccccc3
INCHI=InChI=1S/C17H18BrNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
INCHIAUX=XFTVOHWWEQGXLS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079157
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079157
SCANS=1092
44.90184783935547	188.0
45.17299270629883	148.0
45.40068817138672	260.0
45.49461364746094	184.0
45.54282760620117	128.0
46.23189926147461	140.0
46.7094841003418	236.0
48.24540328979492	144.0
48.25922775268555	144.0
48.32284927368164	160.0
49.49622344970703	184.0
49.58868408203125	184.0
49.7191162109375	160.0
50.03960418701172	224.0
50.11425018310547	180.0
50.35688781738281	160.0
50.70634841918945	140.0
50.80702209472656	232.0
51.38957214355469	188.0
52.06742858886719	176.0
52.214019775390625	156.0
52.55386734008789	148.0
53.203819274902344	164.0
53.480010986328125	168.0
53.49846649169922	112.0
53.863494873046875	160.0
53.90440368652344	144.0
54.37595748901367	156.0
55.2630729675293	160.0
55.51933670043945	144.0
55.630615234375	224.0
56.36188507080078	188.0
56.50093460083008	180.0
56.71357345581055	140.0
56.97016906738281	204.0
57.87400817871094	152.0
58.06450653076172	152.0
58.59805679321289	148.0
58.680355072021484	160.0
58.96886444091797	156.0
60.06208801269531	204.0
60.225704193115234	156.0
60.340057373046875	192.0
60.35242462158203	160.0
61.32734298706055	220.0
62.22526550292969	176.0
62.32107162475586	164.0
62.78702163696289	200.0
63.082279205322266	148.0
63.34812927246094	144.0
63.64470672607422	148.0
64.08528900146484	152.0
64.67456817626953	188.0
65.47895812988281	164.0
65.56595611572266	144.0
66.14741516113281	152.0
69.82305145263672	160.0
70.12940216064453	168.0
70.45144653320312	192.0
70.72085571289062	144.0
71.39175415039062	212.0
71.42538452148438	140.0
72.68911743164062	168.0
73.13778686523438	216.0
73.1667251586914	160.0
73.32684326171875	156.0
73.37797546386719	188.0
73.48371887207031	168.0
74.23633575439453	148.0
75.36553955078125	196.0
75.65609741210938	196.0
76.6112289428711	144.0
76.9390869140625	140.0
77.72845458984375	144.0
79.01290130615234	140.0
79.17398071289062	184.0
79.22357177734375	196.0
79.33167266845703	196.0
80.46134185791016	196.0
80.62210083007812	196.0
80.68644714355469	232.0
80.95304870605469	160.0
81.24161529541016	140.0
81.28108978271484	184.0
81.37801361083984	188.0
81.94095611572266	200.0
83.13253021240234	192.0
83.43768310546875	188.0
83.66438293457031	152.0
83.92379760742188	180.0
84.04052734375	180.0
84.61624908447266	164.0
84.68217468261719	180.0
87.32707977294922	168.0
87.94939422607422	184.0
87.97926330566406	144.0
88.4316177368164	148.0
88.71070861816406	204.0
89.16681671142578	176.0
89.28713989257812	164.0
89.7616958618164	244.0
89.97953033447266	248.0
90.1959228515625	144.0
90.4285659790039	172.0
90.46263885498047	160.0
90.97241973876953	100.0
91.05420684814453	3484.0
91.07886505126953	184.0
91.82408905029297	160.0
92.05811309814453	504.0
92.08586883544922	288.0
92.231689453125	140.0
92.84819793701172	156.0
93.0631103515625	164.0
93.32441711425781	144.0
93.43907165527344	176.0
95.04735565185547	144.0
96.36748504638672	184.0
96.54145050048828	224.0
98.15956115722656	164.0
99.28874206542969	148.0
100.26593017578125	176.0
100.60595703125	176.0
100.84765625	176.0
101.0736312866211	152.0
101.19277954101562	112.0
101.34394073486328	204.0
101.49427032470703	140.0
101.55643463134766	172.0
101.91376495361328	176.0
101.93185424804688	152.0
102.26262664794922	192.0
102.49137878417969	116.0
102.8724136352539	152.0
103.05432891845703	444.0
103.30081176757812	220.0
103.35746002197266	144.0
103.74430084228516	148.0
104.87244415283203	152.0
105.06946563720703	1912.0
105.10289001464844	176.0
105.1539077758789	148.0
105.34342956542969	156.0
105.55840301513672	184.0
105.5931625366211	156.0
105.78959655761719	184.0
106.07127380371094	304.0
106.6737289428711	292.0
106.76625061035156	156.0
107.05099487304688	220.0
107.18619537353516	164.0
107.68336486816406	156.0
107.92308044433594	152.0
108.0988998413086	180.0
108.13822174072266	372.0
108.56084442138672	164.0
109.47103881835938	156.0
109.49811553955078	160.0
109.52622985839844	168.0
109.66896057128906	164.0
109.99017333984375	176.0
110.48960876464844	160.0
111.1349105834961	140.0
111.54862976074219	212.0
111.59488677978516	216.0
111.67179107666016	216.0
111.9062728881836	140.0
112.00314331054688	144.0
112.30244445800781	140.0
112.84515380859375	180.0
113.166748046875	196.0
114.19169616699219	192.0
114.38668060302734	188.0
114.6387710571289	156.0
114.7176284790039	192.0
115.05572509765625	376.0
115.08457946777344	140.0
115.13155364990234	208.0
115.29605102539062	172.0
115.58259582519531	196.0
115.79881286621094	216.0
115.9809341430664	148.0
116.06356048583984	316.0
116.2275619506836	212.0
116.30911254882812	200.0
116.61625671386719	184.0
116.65924835205078	168.0
117.06854248046875	208.0
117.67178344726562	156.0
117.79920196533203	152.0
118.16022491455078	200.0
118.76702117919922	176.0
118.78392028808594	208.0
118.9158706665039	128.0
119.05325317382812	192.0
119.07359313964844	164.0
119.36834716796875	184.0
119.55760955810547	156.0
119.90169525146484	168.0
120.05729675292969	2372.0
120.08111572265625	288.0
120.70941162109375	148.0
121.06159210205078	584.0
121.27642822265625	156.0
121.99922943115234	132.0
123.47372436523438	148.0
124.62641906738281	188.0
124.71975708007812	208.0
124.822021484375	164.0
125.38968658447266	160.0
125.75992584228516	220.0
125.994384765625	164.0
126.22907257080078	160.0
126.3006362915039	140.0
126.38565063476562	156.0
126.57142639160156	156.0
126.72149658203125	144.0
127.1969223022461	180.0
127.66424560546875	144.0
127.72271728515625	164.0
128.06285095214844	660.0
128.28341674804688	216.0
128.6623992919922	148.0
128.9605712890625	144.0
129.0329132080078	140.0
129.06898498535156	1280.0
129.43112182617188	168.0
129.79139709472656	144.0
130.07351684570312	248.0
130.54527282714844	152.0
130.68858337402344	156.0
131.04945373535156	2496.0
131.0856475830078	340.0
131.4182586669922	160.0
131.4701690673828	160.0
131.87896728515625	172.0
132.05641174316406	1344.0
132.29986572265625	160.0
132.33877563476562	152.0
132.74972534179688	188.0
133.06443786621094	296.0
133.08761596679688	556.0
133.42857360839844	144.0
133.56654357910156	148.0
133.64016723632812	156.0
134.071533203125	168.0
134.09727478027344	1640.0
134.46743774414062	168.0
134.92710876464844	160.0
134.94329833984375	148.0
135.08251953125	100.0
135.10121154785156	168.0
135.3528289794922	208.0
135.70037841796875	156.0
136.0832061767578	144.0
136.41773986816406	172.0
136.95758056640625	144.0
137.37716674804688	220.0
138.01007080078125	192.0
138.13401794433594	204.0
138.43125915527344	152.0
138.45468139648438	172.0
139.22857666015625	140.0
139.25205993652344	180.0
139.3342742919922	148.0
140.5294952392578	200.0
141.0971221923828	204.0
141.45669555664062	192.0
141.563232421875	152.0
142.94955444335938	224.0
143.05665588378906	176.0
143.54507446289062	160.0
143.71205139160156	152.0
143.91014099121094	140.0
144.0573272705078	11156.0
144.28762817382812	172.0
145.06150817871094	1632.0
145.3414764404297	144.0
146.01890563964844	140.0
146.07077026367188	1324.0
146.09519958496094	200.0
146.35182189941406	172.0
146.51234436035156	160.0
146.57980346679688	140.0
147.0668182373047	664.0
147.5452423095703	144.0
148.0751953125	480.0
148.12118530273438	212.0
148.29563903808594	144.0
149.08456420898438	164.0
149.30075073242188	160.0
149.56837463378906	152.0
149.6341094970703	144.0
149.82162475585938	176.0
150.15313720703125	168.0
150.6266326904297	168.0
151.5734405517578	148.0
151.82347106933594	192.0
152.31434631347656	144.0
152.42489624023438	160.0
153.03981018066406	148.0
153.06471252441406	220.0
153.12107849121094	144.0
153.9185028076172	132.0
154.15968322753906	172.0
154.33023071289062	144.0
154.7681884765625	168.0
154.80532836914062	148.0
155.12989807128906	184.0
155.65090942382812	232.0
155.946533203125	140.0
156.08822631835938	144.0
156.45147705078125	144.0
156.523681640625	140.0
156.96246337890625	136.0
158.19143676757812	140.0
158.22683715820312	176.0
158.59222412109375	140.0
159.08193969726562	216.0
159.61398315429688	164.0
160.07565307617188	1408.0
160.2154998779297	228.0
160.60621643066406	140.0
161.0848846435547	536.0
161.27532958984375	144.0
162.09097290039062	2328.0
162.3132781982422	232.0
162.97157287597656	160.0
163.33676147460938	156.0
164.97642517089844	180.0
165.07357788085938	156.0
166.0786590576172	144.0
166.92120361328125	128.0
167.08721923828125	240.0
167.39846801757812	140.0
167.49891662597656	288.0
167.72824096679688	204.0
168.02737426757812	160.0
168.0867919921875	132.0
168.17189025878906	168.0
168.6031951904297	192.0
168.91603088378906	144.0
168.96023559570312	156.0
169.0651092529297	188.0
169.1411590576172	152.0
169.56333923339844	164.0
169.92636108398438	140.0
170.07427978515625	148.0
170.12100219726562	140.0
171.04641723632812	168.0
171.1193084716797	152.0
172.3323211669922	132.0
173.9900665283203	152.0
174.09185791015625	312.0
174.92051696777344	152.0
175.09854125976562	1180.0
175.1759490966797	192.0
175.53619384765625	156.0
175.90110778808594	160.0
176.10093688964844	300.0
176.44155883789062	204.0
176.633056640625	168.0
176.79444885253906	192.0
177.06947326660156	244.0
177.371826171875	156.0
177.39639282226562	252.0
177.81210327148438	228.0
177.88111877441406	184.0
178.07591247558594	452.0
178.96046447753906	160.0
179.0137176513672	160.0
179.0536651611328	144.0
179.0828094482422	580.0
180.48556518554688	204.0
180.77288818359375	144.0
180.8371124267578	140.0
181.0670623779297	452.0
181.09701538085938	380.0
181.5363311767578	424.0
181.66775512695312	184.0
181.9656524658203	156.0
182.0659942626953	312.0
182.58636474609375	292.0
183.60165405273438	160.0
184.62315368652344	144.0
184.96058654785156	2184.0
185.24497985839844	160.0
185.31271362304688	164.0
185.43466186523438	216.0
185.54515075683594	204.0
185.74375915527344	148.0
185.96929931640625	288.0
186.1046905517578	208.0
186.3643035888672	124.0
186.53121948242188	140.0
186.77593994140625	140.0
186.95657348632812	1832.0
187.27261352539062	100.0
187.3475799560547	204.0
187.96539306640625	120.0
188.66693115234375	140.0
189.0677490234375	144.0
189.23342895507812	296.0
189.4285430908203	124.0
189.74432373046875	208.0
189.8128662109375	188.0
189.9225616455078	188.0
190.6116485595703	144.0
190.70233154296875	176.0
190.7985382080078	152.0
191.08702087402344	340.0
191.78125	172.0
192.09854125976562	120.0
192.29977416992188	148.0
193.05398559570312	172.0
193.1026611328125	1104.0
193.21163940429688	184.0
194.07237243652344	520.0
194.1061553955078	232.0
195.08058166503906	1476.0
195.2003173828125	152.0
195.45553588867188	144.0
195.98887634277344	148.0
196.0888214111328	1032.0
196.15248107910156	204.0
196.7745819091797	160.0
196.9086151123047	200.0
196.95884704589844	176.0
197.6494140625	212.0
197.7473602294922	188.0
197.8145294189453	188.0
198.3439483642578	156.0
198.40000915527344	144.0
198.42803955078125	212.0
198.67764282226562	148.0
198.81512451171875	172.0
198.97482299804688	5468.0
199.09866333007812	156.0
199.3767852783203	184.0
199.49203491210938	180.0
199.97901916503906	348.0
200.18946838378906	172.0
200.48558044433594	172.0
200.86056518554688	160.0
200.9728240966797	4032.0
201.97927856445312	664.0
202.0763397216797	224.0
202.3130340576172	176.0
202.48858642578125	192.0
203.08558654785156	640.0
203.44699096679688	156.0
203.52647399902344	200.0
203.6315460205078	188.0
203.71676635742188	160.0
204.0931854248047	660.0
204.70652770996094	152.0
205.00564575195312	160.0
205.1015625	992.0
205.8214569091797	176.0
205.88999938964844	164.0
206.0870361328125	196.0
206.11280822753906	172.0
206.6875457763672	140.0
206.8949432373047	112.0
207.08111572265625	9340.0
207.63099670410156	148.0
207.76480102539062	140.0
208.08580017089844	1420.0
208.27517700195312	156.0
208.95994567871094	148.0
209.0635223388672	260.0
209.09512329101562	1824.0
209.23638916015625	116.0
209.40036010742188	164.0
209.85565185546875	180.0
209.96823120117188	420.0
210.1033477783203	1980.0
210.40093994140625	304.0
210.53086853027344	140.0
210.97572326660156	480.0
211.10960388183594	296.0
211.36338806152344	212.0
211.7223358154297	140.0
211.97158813476562	264.0
212.00732421875	148.0
212.15695190429688	180.0
212.3435821533203	120.0
212.69837951660156	204.0
212.85568237304688	160.0
212.9720916748047	408.0
213.0740203857422	180.0
213.11178588867188	156.0
213.28033447265625	144.0
213.87953186035156	204.0
214.15904235839844	168.0
214.37171936035156	192.0
215.78443908691406	220.0
215.8136749267578	180.0
215.9949951171875	228.0
216.7479248046875	220.0
217.1079559326172	212.0
217.7052001953125	116.0
218.03564453125	144.0
218.35903930664062	156.0
218.6267547607422	176.0
219.10374450683594	164.0
219.33949279785156	168.0
219.70220947265625	148.0
219.9589385986328	140.0
220.0873565673828	476.0
220.26602172851562	148.0
220.6522216796875	128.0
221.04652404785156	140.0
221.09515380859375	5472.0
221.13900756835938	148.0
221.24778747558594	140.0
221.87872314453125	280.0
222.0266571044922	116.0
222.10397338867188	23348.0
222.6814422607422	108.0
222.9749755859375	2268.0
223.02761840820312	168.0
223.10740661621094	3672.0
223.1643524169922	184.0
223.30880737304688	132.0
223.4736785888672	144.0
223.6313934326172	168.0
223.73353576660156	140.0
223.75575256347656	196.0
223.9796905517578	368.0
224.1204071044922	1584.0
224.273193359375	100.0
224.4297637939453	148.0
224.58599853515625	144.0
224.87538146972656	176.0
224.97402954101562	1196.0
225.1205596923828	324.0
225.4775390625	164.0
225.69874572753906	152.0
225.98658752441406	952.0
226.0247802734375	184.0
226.68812561035156	144.0
226.9915008544922	1052.0
227.0882568359375	236.0
227.796630859375	160.0
227.9912567138672	412.0
228.66860961914062	188.0
228.77093505859375	160.0
228.91546630859375	188.0
228.9910430908203	836.0
229.11631774902344	204.0
229.5060577392578	196.0
229.7519073486328	132.0
229.99879455566406	388.0
230.75904846191406	168.0
231.095947265625	124.0
231.21884155273438	168.0
231.51248168945312	192.0
231.66998291015625	184.0
232.0579071044922	196.0
232.75973510742188	108.0
233.5795440673828	132.0
233.97610473632812	140.0
234.85256958007812	180.0
234.97406005859375	208.0
235.1149444580078	340.0
235.30604553222656	196.0
235.37442016601562	160.0
236.04360961914062	156.0
236.1042022705078	152.0
236.1399383544922	136.0
236.98289489746094	152.0
237.16409301757812	176.0
237.3633575439453	184.0
237.6148681640625	184.0
237.93283081054688	160.0
237.98544311523438	264.0
238.12225341796875	212.0
238.3137664794922	144.0
238.58534240722656	144.0
238.9922332763672	312.0
239.13067626953125	152.0
239.16671752929688	144.0
239.4118194580078	144.0
239.58885192871094	232.0
240.0028533935547	2632.0
241.00596618652344	940.0
241.13140869140625	160.0
241.42201232910156	164.0
241.99981689453125	3304.0
242.19264221191406	164.0
242.3258514404297	144.0
242.6227569580078	228.0
242.94898986816406	160.0
243.0074920654297	848.0
243.6071014404297	224.0
243.83934020996094	156.0
244.8948516845703	164.0
244.93223571777344	180.0
244.9571533203125	140.0
245.1800079345703	152.0
245.30548095703125	148.0
246.797119140625	188.0
247.2397003173828	192.0
247.57447814941406	144.0
247.75927734375	144.0
247.95040893554688	168.0
248.06639099121094	144.0
250.3096160888672	140.0
250.42929077148438	140.0
250.72544860839844	160.0
251.300537109375	232.0
252.13731384277344	428.0
252.30364990234375	176.0
252.45425415039062	120.0
252.7310791015625	244.0
253.08511352539062	196.0
253.14524841308594	2252.0
253.75363159179688	240.0
254.01783752441406	976.0
254.14942932128906	504.0
254.443603515625	176.0
255.0180206298828	360.0
256.0162353515625	740.0
257.0174865722656	204.0
257.38079833984375	144.0
257.96746826171875	128.0
257.99102783203125	204.0
258.18499755859375	140.0
258.52197265625	144.0
259.2937927246094	172.0
259.39312744140625	148.0
259.8453063964844	164.0
262.4761047363281	124.0
262.6665954589844	180.0
263.10546875	144.0
263.3896179199219	144.0
263.4930114746094	144.0
264.58935546875	176.0
265.3052978515625	176.0
265.33447265625	140.0
265.5679626464844	184.0
265.73663330078125	148.0
265.8826599121094	164.0
265.9205627441406	324.0
266.5841064453125	176.0
267.46221923828125	176.0
267.5791015625	200.0
269.0040283203125	196.0
270.105224609375	144.0
270.4171447753906	136.0
270.8318786621094	152.0
270.8835144042969	156.0
271.5168762207031	172.0
271.93798828125	168.0
271.9839172363281	588.0
272.31768798828125	160.0
272.8565673828125	148.0
272.97802734375	136.0
273.54742431640625	148.0
273.977294921875	192.0
274.084228515625	204.0
274.1402587890625	236.0
274.6051025390625	160.0
274.6469421386719	156.0
274.982421875	260.0
275.23870849609375	188.0
275.2618103027344	168.0
275.63836669921875	212.0
275.750732421875	156.0
276.0008239746094	128.0
276.243408203125	144.0
276.8822021484375	208.0
277.57843017578125	128.0
277.881103515625	144.0
278.4010925292969	152.0
278.60369873046875	164.0
279.26849365234375	172.0
279.58123779296875	160.0
280.7155456542969	128.0
280.7705383300781	148.0
280.9540100097656	180.0
281.1308288574219	140.0
282.0426025390625	176.0
282.1495666503906	184.0
282.33013916015625	168.0
282.75164794921875	148.0
282.8487243652344	140.0
283.01263427734375	184.0
283.0628967285156	184.0
284.19256591796875	172.0
284.2496032714844	140.0
284.346923828125	156.0
284.8236999511719	176.0
285.0132141113281	144.0
285.3849182128906	148.0
285.5059509277344	172.0
285.75823974609375	144.0
286.0021667480469	372.0
286.778564453125	176.0
286.97747802734375	180.0
287.0050354003906	136.0
287.7703552246094	152.0
288.00042724609375	456.0
288.13848876953125	152.0
288.6961975097656	244.0
289.02203369140625	124.0
289.0615234375	148.0
289.69305419921875	180.0
290.03509521484375	160.0
290.90032958984375	160.0
291.0084228515625	164.0
291.2889709472656	200.0
291.74432373046875	184.0
292.0257263183594	132.0
292.2374572753906	196.0
292.6254577636719	232.0
294.5898132324219	160.0
294.66497802734375	196.0
294.9007568359375	180.0
295.9817810058594	168.0
296.5457458496094	172.0
298.036376953125	204.0
298.1250305175781	160.0
299.0093994140625	124.0
299.1919860839844	144.0
299.346923828125	156.0
300.7668762207031	124.0
300.85015869140625	144.0
301.0206298828125	2436.0
301.76568603515625	176.0
302.0256042480469	644.0
302.3675537109375	168.0
302.7483825683594	228.0
303.0214538574219	2508.0
303.73614501953125	156.0
304.0243835449219	616.0
304.0865783691406	168.0
304.38165283203125	180.0
304.62823486328125	148.0
305.03448486328125	936.0
305.1008605957031	196.0
305.46600341796875	144.0
305.69366455078125	128.0
305.7632141113281	132.0
306.6438293457031	132.0
306.78228759765625	196.0
306.8833923339844	144.0
307.0403137207031	152.0
308.76904296875	144.0
309.8226013183594	180.0
309.9872741699219	144.0
310.0679016113281	176.0
310.3377990722656	144.0
310.7095642089844	184.0
310.828857421875	148.0
310.9359130859375	196.0
311.0394287109375	172.0
312.04412841796875	160.0
312.3043518066406	156.0
312.55059814453125	144.0
312.8075256347656	156.0
312.8779296875	164.0
313.3028259277344	172.0
313.9173278808594	180.0
314.34063720703125	148.0
314.49591064453125	148.0
314.601806640625	180.0
314.9584655761719	152.0
315.4496154785156	232.0
315.5804138183594	152.0
315.62640380859375	160.0
316.9183044433594	180.0
317.1025695800781	140.0
317.52801513671875	156.0
317.7444152832031	140.0
317.9927978515625	152.0
318.1739501953125	236.0
319.04205322265625	172.0
319.33221435546875	176.0
319.8908386230469	212.0
321.1986083984375	156.0
321.3874816894531	144.0
321.493896484375	136.0
321.6731872558594	144.0
322.3946533203125	196.0
323.1419677734375	144.0
323.1746826171875	256.0
323.4708557128906	160.0
324.255615234375	244.0
325.23834228515625	176.0
325.7015380859375	180.0
325.74462890625	184.0
325.9494323730469	212.0
327.3505859375	192.0
327.71441650390625	136.0
328.41546630859375	196.0
328.458740234375	260.0
328.5874938964844	260.0
328.8520202636719	140.0
329.595947265625	148.0
329.9126892089844	100.0
329.94537353515625	124.0
330.0420837402344	120.0
330.08709716796875	220.0
330.1158752441406	248.0
330.1674499511719	124.0
330.3710021972656	160.0
330.5071105957031	152.0
330.5772705078125	124.0
330.6405944824219	136.0
330.7714538574219	280.0
330.8283386230469	104.0
330.910400390625	144.0
330.97906494140625	136.0
331.0834045410156	164.0
331.141357421875	100.0
331.2076721191406	720.0
331.3152160644531	100.0
331.4147644042969	268.0
331.4521179199219	120.0
331.55517578125	108.0
331.5827331542969	164.0
331.6381530761719	260.0
331.7362976074219	112.0
331.7456359863281	216.0
331.79901123046875	236.0
331.84149169921875	168.0
331.8927001953125	264.0
331.9349670410156	280.0
332.0663146972656	200960.0
332.1734924316406	192.0
332.2086486816406	508.0
332.2406311035156	144.0
332.3160400390625	336.0
332.4013671875	492.0
332.4606628417969	376.0
332.4989318847656	144.0
332.5294494628906	196.0
332.55938720703125	196.0
332.615234375	128.0
332.66387939453125	6496.0
332.7139892578125	308.0
332.75946044921875	244.0
332.836181640625	148.0
332.88555908203125	148.0
332.9543762207031	344.0
332.971923828125	196.0
332.9881591796875	372.0
332.99951171875	252.0
333.0686950683594	65016.0
333.1302490234375	232.0
333.199951171875	172.0
333.29937744140625	232.0
333.4179382324219	284.0
333.47100830078125	228.0
333.5093994140625	256.0
333.5880126953125	148.0
333.60760498046875	132.0
333.7380065917969	156.0
333.7755432128906	148.0
333.81390380859375	176.0
333.8813781738281	176.0
333.94268798828125	680.0
334.0644226074219	176708.0
334.14892578125	248.0
334.179443359375	200.0
334.28271484375	168.0
334.37139892578125	160.0
334.40679931640625	352.0
334.4524841308594	252.0
334.4883117675781	272.0
334.5172119140625	180.0
334.5590515136719	108.0
334.6009521484375	164.0
334.6177062988281	144.0
334.66314697265625	3208.0
334.74139404296875	220.0
334.8064880371094	156.0
334.84246826171875	168.0
334.8883056640625	148.0
334.92742919921875	172.0
334.9705505371094	328.0
335.0665588378906	45164.0
335.145751953125	204.0
335.1841735839844	276.0
335.2236633300781	152.0
335.24755859375	300.0
335.302001953125	176.0
335.3352966308594	580.0
335.3728332519531	268.0
335.3970947265625	360.0
335.4222412109375	328.0
335.47589111328125	276.0
335.55181884765625	128.0
335.66943359375	184.0
335.78375244140625	148.0
335.8531494140625	152.0
335.9942321777344	112.0
336.0638122558594	280.0
336.118896484375	108.0
336.2076721191406	128.0
336.35321044921875	120.0
336.4200439453125	196.0
336.46026611328125	212.0
336.5962829589844	100.0
336.7902526855469	244.0
336.8686218261719	200.0
336.8984680175781	204.0
336.9831237792969	140.0
337.04290771484375	128.0
337.0978698730469	196.0
337.2017517089844	104.0
337.2828063964844	248.0
337.33154296875	184.0
337.3761901855469	232.0
337.4226989746094	120.0
337.4587707519531	180.0
337.489013671875	188.0
337.552978515625	216.0
338.3691101074219	112.0
338.41387939453125	168.0
338.4521484375	192.0
341.1435241699219	100.0
345.67510986328125	180.0
346.5570373535156	108.0
347.025634765625	104.0
348.0342712402344	104.0
348.1179504394531	156.0
349.9344177246094	120.0
350.8553771972656	104.0
351.10858154296875	204.0
456.2461853027344	140.0
1113.819580078125	148.0
1146.753173828125	204.0
1157.975341796875	172.0
1169.8443603515625	152.0
1184.3477783203125	224.0
1269.7109375	160.0
1279.224853515625	164.0
1392.70556640625	172.0
1430.8057861328125	176.0
1443.859619140625	156.0
1468.5888671875	148.0
1497.16064453125	152.0
1533.9171142578125	200.0
1569.1163330078125	176.0
1584.5751953125	140.0
1595.50341796875	160.0
1600.94580078125	144.0
1631.430419921875	164.0
1634.4947509765625	144.0
1673.4599609375	184.0
1701.002197265625	156.0
1729.0125732421875	148.0
1739.3447265625	204.0
1746.482177734375	152.0
1795.08251953125	192.0
1795.45361328125	172.0
1816.870361328125	164.0
1832.104736328125	188.0
1837.5582275390625	304.0
1839.8994140625	220.0
1847.864501953125	156.0
1857.05615234375	180.0
1869.281005859375	188.0
1876.1282958984375	140.0
1890.0074462890625	168.0
1936.1180419921875	188.0
1968.9566650390625	152.0
1982.9439697265625	148.0
1987.1116943359375	148.0
1988.4959716796875	172.0
1992.705078125	144.0
1995.842529296875	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079158
PEPMASS=388.203644
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Terazosin [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4CCCO4
INCHI=InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
INCHIAUX=VCKUSRYTPJJLNI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079158
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079158
SCANS=1027
45.764869689941406	152.0
51.32190704345703	176.0
54.03602600097656	140.0
57.164154052734375	160.0
60.61937713623047	164.0
63.90858840942383	164.0
63.97861862182617	152.0
65.86124420166016	156.0
66.6047134399414	180.0
68.4330825805664	144.0
68.62255096435547	140.0
72.0221176147461	180.0
73.32858276367188	144.0
73.88353729248047	248.0
74.86705780029297	164.0
75.13594818115234	180.0
76.02532196044922	144.0
78.13612365722656	188.0
79.2200698852539	152.0
80.31149291992188	152.0
80.45067596435547	144.0
81.1986083984375	156.0
83.41409301757812	140.0
86.20551300048828	232.0
89.68236541748047	192.0
90.40400695800781	160.0
92.69488525390625	140.0
97.01336669921875	160.0
97.85420989990234	248.0
98.0571060180664	152.0
98.33914184570312	172.0
98.52278137207031	188.0
98.96183776855469	172.0
99.626220703125	212.0
101.12571716308594	172.0
102.1249008178711	176.0
103.6268081665039	172.0
104.58649444580078	144.0
105.3724594116211	144.0
105.59117889404297	236.0
105.69960021972656	172.0
110.58174133300781	140.0
112.16334533691406	148.0
113.99829864501953	164.0
114.09394836425781	184.0
114.73047637939453	152.0
115.92955780029297	172.0
116.09248352050781	160.0
117.77118682861328	152.0
118.29878997802734	148.0
120.08271789550781	200.0
121.08588409423828	156.0
121.30499267578125	180.0
122.06549072265625	184.0
122.63481903076172	196.0
122.92813110351562	228.0
123.71275329589844	224.0
123.86529541015625	176.0
124.0760726928711	124.0
124.10932922363281	188.0
124.7198257446289	208.0
125.06681060791016	168.0
128.31503295898438	168.0
132.55186462402344	156.0
133.81285095214844	204.0
134.8370361328125	152.0
136.70156860351562	228.0
137.29559326171875	180.0
139.60231018066406	152.0
140.78057861328125	160.0
141.1090087890625	176.0
141.8262939453125	172.0
142.08665466308594	2392.0
142.20578002929688	160.0
143.09173583984375	148.0
143.62147521972656	144.0
144.06068420410156	184.0
144.33314514160156	176.0
149.33731079101562	148.0
150.0888214111328	260.0
151.07894897460938	176.0
152.17689514160156	152.0
153.36260986328125	160.0
158.544677734375	168.0
159.1667938232422	152.0
160.09649658203125	112.0
163.06478881835938	148.0
164.1798858642578	192.0
165.16061401367188	148.0
166.0801544189453	196.0
167.39340209960938	248.0
168.1046905517578	396.0
168.72735595703125	204.0
168.8566436767578	240.0
169.0724334716797	136.0
169.1101837158203	144.0
169.82269287109375	180.0
170.01531982421875	228.0
171.950927734375	212.0
172.4628448486328	168.0
174.6837921142578	160.0
176.033203125	144.0
176.434814453125	144.0
176.67811584472656	156.0
177.07156372070312	144.0
177.2738494873047	160.0
177.745849609375	212.0
180.4038848876953	184.0
180.67933654785156	192.0
181.8798370361328	140.0
182.67127990722656	164.0
183.94981384277344	156.0
184.0171661376953	160.0
184.72805786132812	152.0
185.1296844482422	152.0
186.11265563964844	184.0
186.94471740722656	196.0
187.02908325195312	212.0
189.0583038330078	140.0
189.21566772460938	180.0
190.0625762939453	168.0
190.4936065673828	176.0
191.08384704589844	296.0
192.4738006591797	152.0
192.73068237304688	144.0
193.79315185546875	176.0
195.00820922851562	144.0
196.28082275390625	148.0
196.67140197753906	148.0
198.04144287109375	176.0
198.53189086914062	156.0
200.24903869628906	160.0
200.5758819580078	140.0
201.07228088378906	144.0
202.08282470703125	324.0
203.09320068359375	1320.0
203.13211059570312	156.0
204.07461547851562	308.0
204.12045288085938	200.0
205.07301330566406	748.0
205.32789611816406	208.0
205.54469299316406	148.0
205.6417236328125	180.0
206.0807342529297	1088.0
206.6704864501953	160.0
207.08682250976562	128.0
207.73623657226562	180.0
208.41664123535156	164.0
208.75296020507812	176.0
209.6107635498047	152.0
210.02590942382812	140.0
210.0720672607422	140.0
212.60084533691406	200.0
212.88243103027344	152.0
213.46942138671875	144.0
213.8505401611328	200.0
214.094482421875	192.0
216.3813934326172	164.0
216.49266052246094	184.0
217.07400512695312	416.0
218.0736846923828	172.0
218.10629272460938	204.0
218.8682403564453	144.0
219.09066772460938	492.0
220.0994873046875	308.0
220.4227294921875	184.0
221.10321044921875	11372.0
221.21487426757812	188.0
222.03646850585938	184.0
222.1060028076172	1108.0
222.63052368164062	144.0
223.10638427734375	112.0
224.3314971923828	236.0
224.40304565429688	180.0
225.45375061035156	164.0
225.79156494140625	192.0
226.9984130859375	152.0
227.42742919921875	152.0
228.10025024414062	160.0
229.07012939453125	192.0
229.10804748535156	236.0
230.07640075683594	592.0
230.8589630126953	176.0
231.08718872070312	4436.0
231.1342315673828	152.0
231.1653594970703	124.0
232.09603881835938	4472.0
233.10096740722656	1068.0
233.36660766601562	200.0
234.1097412109375	196.0
234.8252410888672	156.0
237.11630249023438	228.0
239.3330841064453	188.0
239.72120666503906	152.0
240.48912048339844	152.0
241.1809844970703	160.0
243.08718872070312	180.0
243.40846252441406	144.0
243.666259765625	160.0
244.08102416992188	108.0
244.12628173828125	172.0
244.5415496826172	108.0
244.77975463867188	168.0
245.1031951904297	1212.0
246.114501953125	208.0
246.43096923828125	156.0
246.46578979492188	204.0
246.8173370361328	284.0
247.06021118164062	172.0
247.08538818359375	420.0
247.11952209472656	46636.0
247.2408447265625	204.0
247.50430297851562	164.0
247.6133270263672	100.0
247.64834594726562	96.0
248.00836181640625	252.0
248.12149047851562	4544.0
248.2097625732422	100.0
248.78062438964844	100.0
249.12484741210938	668.0
249.6057586669922	176.0
249.92095947265625	116.0
249.9755096435547	216.0
250.00177001953125	148.0
250.0319061279297	292.0
251.0408172607422	196.0
254.48095703125	120.0
255.73916625976562	164.0
255.76144409179688	164.0
256.0097961425781	152.0
257.0043029785156	140.0
257.10235595703125	748.0
257.7642517089844	160.0
258.1084289550781	244.0
259.1174011230469	476.0
259.3498229980469	128.0
260.11676025390625	500.0
261.1127014160156	172.0
263.3219299316406	204.0
266.5160217285156	144.0
266.7792663574219	172.0
267.4623718261719	160.0
268.41693115234375	160.0
270.06939697265625	156.0
271.1202392578125	260.0
271.5355529785156	136.0
272.11431884765625	172.0
272.89617919921875	152.0
273.05181884765625	144.0
273.1354675292969	4296.0
273.1767272949219	156.0
273.30731201171875	180.0
274.1318664550781	1632.0
274.7701721191406	160.0
275.1378173828125	1596.0
275.84674072265625	172.0
276.13653564453125	508.0
277.0082092285156	148.0
280.2740173339844	148.0
281.5415954589844	148.0
282.6748352050781	192.0
284.1121826171875	288.0
284.1397399902344	172.0
284.3772888183594	180.0
285.0321350097656	188.0
285.87615966796875	200.0
286.1275634765625	288.0
287.1321105957031	144.0
288.1447448730469	3792.0
288.8756103515625	176.0
289.0684509277344	204.0
289.0999450683594	104.0
289.1521911621094	684.0
289.1902770996094	212.0
289.6473693847656	148.0
289.7218933105469	264.0
289.8089294433594	128.0
289.9129638671875	224.0
290.0901794433594	200.0
290.1622314453125	58684.0
290.227294921875	168.0
290.36956787109375	108.0
290.86474609375	140.0
291.1644287109375	6044.0
291.27056884765625	120.0
292.169921875	696.0
293.060546875	128.0
293.1637268066406	176.0
293.4057922363281	156.0
294.07989501953125	148.0
298.0502624511719	200.0
299.13946533203125	160.0
300.1441650390625	920.0
300.2533874511719	180.0
301.0609436035156	200.0
301.1358337402344	152.0
301.2375793457031	144.0
302.115234375	144.0
302.1531982421875	232.0
303.68426513671875	220.0
304.1191711425781	176.0
305.2783508300781	156.0
305.765380859375	140.0
308.09967041015625	124.0
309.0589904785156	152.0
309.5145568847656	216.0
310.13262939453125	948.0
311.1365051269531	596.0
312.0863952636719	148.0
312.13232421875	212.0
313.15045166015625	276.0
314.169677734375	216.0
316.1402587890625	892.0
317.1539001464844	140.0
317.175048828125	380.0
318.4314880371094	200.0
319.1385498046875	696.0
320.1438293457031	156.0
320.2008056640625	256.0
322.1875915527344	148.0
322.9167785644531	140.0
324.1493225097656	152.0
324.7254333496094	140.0
324.8653259277344	188.0
325.1523742675781	212.0
326.1257019042969	152.0
326.1603088378906	120.0
327.0320739746094	140.0
328.14208984375	156.0
329.15350341796875	120.0
329.18072509765625	156.0
332.1044616699219	132.0
333.85906982421875	172.0
334.3428955078125	140.0
334.4994201660156	164.0
334.91815185546875	140.0
335.45379638671875	172.0
337.7652282714844	212.0
339.9010925292969	140.0
340.178955078125	388.0
342.15728759765625	616.0
343.1593322753906	124.0
344.1660461425781	264.0
344.84320068359375	140.0
345.1278381347656	156.0
345.1708068847656	116.0
347.0717468261719	172.0
348.8426513671875	164.0
349.09661865234375	156.0
351.18475341796875	192.0
352.17291259765625	380.0
354.1521301269531	252.0
355.5208435058594	164.0
356.15838623046875	164.0
358.47283935546875	224.0
358.9327087402344	164.0
359.1944274902344	164.0
360.2005310058594	284.0
361.1999816894531	224.0
362.0162048339844	168.0
366.41082763671875	164.0
366.5594177246094	164.0
370.1828918457031	1332.0
370.6978454589844	188.0
371.1966247558594	104.0
372.0402526855469	148.0
372.1676330566406	1784.0
373.1737365722656	1504.0
374.1722717285156	288.0
375.0813903808594	168.0
375.1755676269531	160.0
376.57623291015625	144.0
380.2465515136719	152.0
380.5260314941406	200.0
382.45806884765625	192.0
384.2779235839844	156.0
384.50250244140625	144.0
384.644775390625	176.0
385.1057434082031	136.0
385.2344055175781	164.0
385.8034973144531	120.0
386.15032958984375	108.0
386.19049072265625	180.0
386.2644958496094	100.0
386.3775634765625	172.0
386.7060852050781	96.0
386.7559814453125	124.0
386.8924865722656	160.0
387.14349365234375	116.0
387.3500061035156	172.0
387.4742431640625	520.0
387.5223693847656	296.0
387.58587646484375	112.0
387.6329650878906	140.0
387.7188720703125	220.0
387.7565002441406	264.0
387.7917785644531	228.0
387.874755859375	388.0
387.9169006347656	104.0
387.95037841796875	180.0
388.02734375	212.0
388.0723876953125	180.0
388.19964599609375	221696.0
388.3507995605469	216.0
388.4923095703125	344.0
388.56585693359375	196.0
388.64910888671875	188.0
388.7225341796875	308.0
388.7952575683594	244.0
388.84417724609375	1908.0
388.8954162597656	284.0
388.9384765625	160.0
388.99700927734375	256.0
389.0559997558594	200.0
389.09417724609375	300.0
389.1341857910156	228.0
389.2013244628906	58528.0
389.4884338378906	240.0
389.52142333984375	172.0
389.5605773925781	228.0
389.65631103515625	340.0
389.7652893066406	212.0
389.79052734375	312.0
389.8481140136719	180.0
389.9303283691406	108.0
389.96673583984375	120.0
390.02166748046875	284.0
390.06256103515625	176.0
390.133056640625	168.0
390.2024841308594	7704.0
390.3798522949219	112.0
390.46612548828125	108.0
390.66668701171875	140.0
390.78680419921875	136.0
390.867431640625	168.0
390.9348449707031	216.0
391.10296630859375	116.0
391.2027587890625	628.0
391.3937072753906	212.0
391.44854736328125	220.0
391.4794921875	124.0
391.6565246582031	108.0
391.6935729980469	308.0
391.7436218261719	240.0
391.7796630859375	244.0
391.83197021484375	144.0
391.8962097167969	220.0
392.010009765625	124.0
392.0606384277344	180.0
392.24200439453125	160.0
392.3726806640625	108.0
392.5868225097656	140.0
392.6358947753906	188.0
392.7018737792969	140.0
393.17279052734375	132.0
395.54638671875	132.0
402.7476806640625	108.0
452.7374572753906	140.0
560.7091064453125	156.0
569.0960693359375	172.0
595.52880859375	140.0
657.9107666015625	148.0
674.0123291015625	140.0
694.833984375	148.0
816.46142578125	152.0
1082.839599609375	140.0
1198.555419921875	164.0
1571.9013671875	172.0
1747.3731689453125	188.0
1775.346923828125	188.0
1803.08642578125	192.0
1953.6385498046875	176.0
1987.1837158203125	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079159
PEPMASS=383.155792
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Loratadine 79794-75-5 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1
INCHI=InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
INCHIAUX=JCCNYMKQOSZNPW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079159
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079159
SCANS=1741
47.425113677978516	148.0
87.2585220336914	204.0
94.65025329589844	152.0
107.96472930908203	188.0
124.0766830444336	132.0
180.98484802246094	148.0
181.0464324951172	140.0
186.00173950195312	160.0
206.0933837890625	156.0
226.03575134277344	200.0
227.04859924316406	924.0
228.04896545410156	156.0
229.0518798828125	308.0
230.05413818359375	176.0
232.1161651611328	160.0
278.17938232421875	176.0
282.0950012207031	168.0
286.9277038574219	160.0
306.2117004394531	156.0
310.0932922363281	168.0
311.1315612792969	196.0
317.85882568359375	160.0
326.86724853515625	172.0
331.0908508300781	148.0
337.111083984375	440.0
338.10595703125	272.0
340.9263610839844	192.0
366.14501953125	172.0
382.2734069824219	216.0
383.1524353027344	2632.0
384.1551818847656	576.0
385.15106201171875	1012.0
385.2725524902344	176.0
386.1613464355469	216.0
387.1569519042969	100.0
387.42987060546875	144.0
389.253662109375	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079160
PEPMASS=233.601654
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Cisapride [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c3cc(Cl)c(N)cc3OC
INCHI=InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m1/s1
INCHIAUX=DCSUBABJRXZOMT-IRLDBZIGSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079160
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079160
SCANS=1164
56.105262756347656	180.0
76.10698699951172	172.0
81.02302551269531	232.0
92.53217315673828	228.0
95.95191955566406	156.0
97.04714965820312	272.0
99.03916931152344	164.0
100.07828521728516	224.0
101.23192596435547	236.0
112.03182220458984	164.0
113.61622619628906	280.0
115.06980895996094	160.0
122.05621337890625	176.0
122.09801483154297	708.0
122.88854217529297	156.0
124.24252319335938	200.0
125.03913116455078	504.0
125.82931518554688	180.0
126.01022338867188	164.0
128.05972290039062	172.0
130.02297973632812	144.0
133.0359344482422	188.0
135.05511474609375	336.0
137.89340209960938	152.0
138.05735778808594	420.0
140.11085510253906	140.0
140.9984588623047	164.0
142.04458618164062	192.0
143.02061462402344	172.0
143.04498291015625	168.0
143.1137237548828	160.0
146.0191192626953	144.0
147.55657958984375	840.0
148.0478057861328	172.0
148.08265686035156	184.0
148.55087280273438	188.0
149.06031799316406	160.0
149.1016387939453	256.0
149.56861877441406	216.0
150.0485076904297	176.0
151.14515686035156	164.0
152.01504516601562	144.0
153.06422424316406	176.0
154.07479858398438	140.0
154.52833557128906	164.0
156.02256774902344	156.0
158.0137939453125	144.0
158.03599548339844	620.0
160.0369415283203	140.0
161.56875610351562	388.0
163.56642150878906	3624.0
164.0652313232422	388.0
164.17750549316406	152.0
164.5663299560547	984.0
165.0666961669922	360.0
168.9994659423828	220.0
169.10260009765625	184.0
170.6824493408203	172.0
171.14971923828125	612.0
171.6041717529297	156.0
172.03985595703125	188.0
172.1547393798828	384.0
172.57020568847656	180.0
172.60157775878906	196.0
177.5152587890625	164.0
177.5821075439453	1220.0
178.03273010253906	188.0
178.07850646972656	204.0
178.58319091796875	452.0
179.08323669433594	412.0
183.03543090820312	300.0
184.01580810546875	3480.0
185.0183563232422	444.0
186.0148468017578	668.0
187.02244567871094	180.0
187.0891571044922	208.0
187.58494567871094	176.0
189.08172607421875	144.0
191.3758544921875	164.0
197.13368225097656	148.0
200.9709014892578	268.0
201.04214477539062	1148.0
201.08004760742188	200.0
202.05015563964844	208.0
203.03997802734375	444.0
209.3430938720703	180.0
211.54315185546875	200.0
213.05982971191406	196.0
213.5190887451172	228.0
213.53944396972656	164.0
216.06553649902344	156.0
219.045166015625	140.0
220.08917236328125	172.0
221.73687744140625	184.0
222.9387969970703	152.0
227.05470275878906	268.0
231.1038055419922	180.0
233.5994110107422	10940.0
234.1007080078125	1876.0
234.5989227294922	3680.0
235.0985870361328	804.0
235.13482666015625	316.0
236.10513305664062	156.0
236.35935974121094	112.0
236.41001892089844	148.0
236.92164611816406	116.0
242.6050262451172	384.0
243.60369873046875	148.0
253.06651306152344	160.0
254.11558532714844	164.0
255.0651092529297	164.0
266.1569519042969	248.0
280.0877380371094	172.0
283.17938232421875	496.0
309.1593322753906	164.0
314.0518493652344	220.0
315.1214599609375	280.0
1386.668212890625	140.0
1518.83447265625	160.0
1815.2447509765625	204.0
1915.0816650390625	208.0
1992.1307373046875	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079161
PEPMASS=466.198975
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Cisapride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c3cc(Cl)c(N)cc3OC
INCHI=InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m1/s1
INCHIAUX=DCSUBABJRXZOMT-IRLDBZIGSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079161
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079161
SCANS=1170
45.38866424560547	148.0
45.779701232910156	172.0
45.96842575073242	200.0
46.838844299316406	176.0
47.59788513183594	176.0
48.14872360229492	192.0
48.20658493041992	172.0
48.22747802734375	148.0
48.591678619384766	192.0
48.62636947631836	172.0
49.12729263305664	140.0
49.3745231628418	188.0
49.55649948120117	156.0
49.69811248779297	188.0
51.64610290527344	140.0
51.66756057739258	224.0
51.9469108581543	148.0
52.83576583862305	152.0
53.108097076416016	172.0
53.17338943481445	140.0
53.38113021850586	212.0
54.28651809692383	232.0
54.640506744384766	140.0
54.96170425415039	160.0
55.248329162597656	220.0
55.42007064819336	160.0
56.29621124267578	236.0
56.592281341552734	140.0
56.698638916015625	188.0
56.82159423828125	220.0
56.845603942871094	216.0
57.613487243652344	140.0
57.69358444213867	164.0
58.32722854614258	160.0
59.02242660522461	148.0
61.462615966796875	256.0
61.76616287231445	140.0
61.92267990112305	176.0
62.255157470703125	180.0
62.69406509399414	172.0
62.82809066772461	156.0
63.04282760620117	188.0
63.50880432128906	172.0
63.70988082885742	232.0
64.44114685058594	140.0
65.31002044677734	144.0
65.47418212890625	172.0
65.50640106201172	172.0
66.08597564697266	160.0
66.10700988769531	204.0
67.94170379638672	172.0
68.17649841308594	152.0
68.62093353271484	184.0
68.98577880859375	176.0
69.52076721191406	196.0
69.54399871826172	168.0
69.5755386352539	192.0
69.81314086914062	184.0
70.15280151367188	144.0
71.55840301513672	152.0
72.0457992553711	200.0
72.22836303710938	200.0
72.47045135498047	188.0
74.17811584472656	144.0
74.9084243774414	184.0
76.53118896484375	192.0
76.6200180053711	140.0
77.73905181884766	168.0
79.8004379272461	164.0
80.25624084472656	228.0
81.36731719970703	208.0
81.57929992675781	168.0
81.81676483154297	168.0
82.5565414428711	236.0
82.68136596679688	180.0
83.50140380859375	204.0
83.7088623046875	184.0
84.43883514404297	184.0
85.4017333984375	168.0
85.72943878173828	148.0
86.64962005615234	180.0
87.38668823242188	140.0
87.80977630615234	160.0
89.26653289794922	172.0
90.13363647460938	148.0
91.1264877319336	160.0
91.49544525146484	188.0
92.16680145263672	216.0
92.71983337402344	168.0
93.06511688232422	188.0
93.9600830078125	176.0
94.07007598876953	192.0
95.64212799072266	224.0
95.78621673583984	192.0
96.08124542236328	1972.0
96.11764526367188	140.0
96.26990509033203	144.0
97.08317565917969	180.0
97.7755126953125	224.0
98.469482421875	216.0
99.43961334228516	156.0
99.78923034667969	188.0
100.05980682373047	168.0
102.04450988769531	180.0
102.18730163574219	220.0
102.22553253173828	172.0
102.38475036621094	220.0
102.86443328857422	208.0
103.14521026611328	212.0
105.43584442138672	156.0
106.1856918334961	152.0
106.87598419189453	136.0
107.08329010009766	184.0
107.2769775390625	140.0
107.96660614013672	184.0
108.04727172851562	160.0
108.07830810546875	160.0
108.4883804321289	208.0
108.89507293701172	140.0
108.99271392822266	236.0
109.01348876953125	244.0
109.08831787109375	140.0
109.36288452148438	144.0
111.09095764160156	156.0
112.07276916503906	176.0
112.80931854248047	212.0
113.0002212524414	160.0
114.39181518554688	148.0
115.0035629272461	184.0
115.81605529785156	176.0
116.60991668701172	172.0
116.76901245117188	168.0
117.36551666259766	168.0
118.2577133178711	204.0
119.58165740966797	140.0
120.04351043701172	180.0
120.26167297363281	148.0
121.00928497314453	156.0
121.62310028076172	212.0
122.095703125	1644.0
122.30071258544922	180.0
123.10063171386719	256.0
123.17766571044922	172.0
123.47826385498047	176.0
125.03453063964844	152.0
126.00955200195312	404.0
126.544677734375	276.0
126.67681121826172	172.0
126.99395751953125	96.0
127.01304626464844	172.0
128.00787353515625	168.0
128.02511596679688	476.0
128.10763549804688	140.0
128.5948028564453	216.0
128.92904663085938	188.0
130.0252685546875	288.0
130.48855590820312	140.0
131.0028839111328	160.0
131.26473999023438	168.0
132.5863037109375	156.0
132.8430938720703	140.0
132.91421508789062	160.0
133.8681640625	164.0
133.99024963378906	172.0
134.43295288085938	192.0
134.78855895996094	180.0
136.0879669189453	148.0
136.69696044921875	156.0
140.11312866210938	212.0
140.2545166015625	192.0
140.99839782714844	2616.0
141.22352600097656	120.0
141.90931701660156	144.0
142.00267028808594	268.0
142.7023162841797	176.0
142.86402893066406	188.0
142.9652557373047	96.0
142.99462890625	1300.0
144.00225830078125	152.0
144.02101135253906	196.0
144.72320556640625	172.0
144.91961669921875	204.0
145.74258422851562	200.0
146.01663208007812	140.0
146.18502807617188	184.0
148.0438232421875	200.0
148.99705505371094	160.0
151.01541137695312	140.0
151.05943298339844	156.0
151.1450653076172	172.0
151.45843505859375	176.0
151.5147705078125	144.0
153.0730438232422	164.0
153.1015167236328	180.0
153.17787170410156	188.0
153.20742797851562	164.0
153.5242462158203	216.0
153.65118408203125	148.0
154.0027313232422	852.0
154.0782928466797	332.0
154.1233673095703	636.0
154.16943359375	164.0
156.00213623046875	308.0
156.0229034423828	680.0
156.38690185546875	200.0
156.6707763671875	164.0
156.84881591796875	144.0
157.02859497070312	136.0
157.38406372070312	148.0
157.83236694335938	220.0
158.01596069335938	496.0
158.03892517089844	244.0
158.8288116455078	148.0
159.42559814453125	200.0
160.5029754638672	180.0
160.55088806152344	156.0
161.6548309326172	200.0
162.66929626464844	120.0
163.0546875	180.0
163.41323852539062	192.0
165.29627990722656	180.0
165.93661499023438	188.0
166.6269989013672	176.0
167.010009765625	164.0
167.4552764892578	156.0
168.8489532470703	144.0
168.99264526367188	2392.0
169.12579345703125	180.0
169.99806213378906	412.0
170.02772521972656	168.0
170.11077880859375	152.0
170.99229431152344	552.0
171.99234008789062	124.0
172.4402618408203	104.0
173.98220825195312	188.0
175.1644287109375	120.0
175.42381286621094	148.0
175.4844512939453	212.0
177.75389099121094	144.0
178.01376342773438	200.0
180.44940185546875	160.0
181.8440704345703	112.0
182.01414489746094	188.0
182.07591247558594	216.0
183.21368408203125	184.0
183.26487731933594	160.0
183.41310119628906	176.0
183.57215881347656	188.0
183.59373474121094	208.0
183.7528839111328	228.0
183.83653259277344	188.0
183.88870239257812	180.0
183.92774963378906	120.0
183.95294189453125	196.0
184.01718139648438	171924.0
184.10047912597656	260.0
184.1232147216797	156.0
184.1613311767578	232.0
184.22964477539062	140.0
184.3234405517578	140.0
184.39097595214844	236.0
184.41773986816406	172.0
184.46095275878906	432.0
184.50100708007812	256.0
184.6810302734375	212.0
184.8488006591797	128.0
184.8897247314453	160.0
185.0194091796875	18056.0
185.10411071777344	100.0
185.20046997070312	160.0
185.30406188964844	108.0
185.49717712402344	152.0
185.8133544921875	108.0
185.90415954589844	136.0
185.97483825683594	236.0
186.01393127441406	49684.0
186.12562561035156	160.0
186.160888671875	116.0
186.20323181152344	160.0
186.26881408691406	108.0
186.30516052246094	128.0
186.38462829589844	176.0
186.40798950195312	164.0
186.4679718017578	144.0
186.5039825439453	192.0
186.67698669433594	108.0
186.71249389648438	156.0
187.01528930664062	5028.0
187.08714294433594	120.0
187.24632263183594	248.0
187.31752014160156	100.0
187.42196655273438	156.0
187.47036743164062	148.0
187.7769317626953	124.0
188.01974487304688	140.0
188.08401489257812	140.0
188.4091796875	104.0
188.4403839111328	152.0
189.00071716308594	168.0
190.37437438964844	100.0
190.52389526367188	168.0
191.02146911621094	156.0
191.08473205566406	148.0
191.1177520751953	184.0
193.2007598876953	180.0
200.6971893310547	184.0
201.03939819335938	212.0
201.73330688476562	160.0
203.52099609375	180.0
206.08157348632812	144.0
206.10728454589844	204.0
207.7162322998047	196.0
208.11241149902344	308.0
209.11148071289062	128.0
209.95965576171875	208.0
215.06893920898438	176.0
219.36585998535156	160.0
224.07827758789062	152.0
227.08547973632812	164.0
227.74578857421875	148.0
231.70352172851562	152.0
232.1183319091797	260.0
233.69822692871094	172.0
234.1295928955078	23976.0
234.29324340820312	128.0
234.31463623046875	96.0
234.40960693359375	108.0
235.05718994140625	216.0
235.13290405273438	3576.0
235.2105712890625	140.0
236.1337432861328	228.0
236.3741912841797	208.0
236.82814025878906	100.0
244.48724365234375	156.0
250.12344360351562	192.0
250.8076171875	164.0
251.0945281982422	148.0
251.15760803222656	160.0
252.14195251464844	356.0
253.07635498046875	204.0
253.10435485839844	220.0
253.150146484375	164.0
257.0629577636719	184.0
261.5455017089844	144.0
264.14276123046875	516.0
264.9037170410156	188.0
265.1475830078125	136.0
266.156005859375	1264.0
267.16094970703125	692.0
268.15948486328125	144.0
270.87799072265625	172.0
273.0837097167969	156.0
273.9131774902344	184.0
274.0943603515625	248.0
277.1246337890625	148.0
280.5040588378906	140.0
281.16156005859375	136.0
283.184814453125	1244.0
284.1864318847656	492.0
288.3211975097656	148.0
293.6650695800781	164.0
296.5507507324219	164.0
297.0997619628906	912.0
298.0962219238281	136.0
298.9911193847656	128.0
299.1029968261719	232.0
300.1016540527344	104.0
302.92877197265625	140.0
309.15850830078125	236.0
310.4195251464844	144.0
310.5379638671875	144.0
314.0763244628906	160.0
319.44635009765625	148.0
326.4026184082031	156.0
330.1434326171875	224.0
331.3546447753906	228.0
332.82720947265625	148.0
333.8919372558594	180.0
335.4356994628906	160.0
335.86962890625	156.0
336.17242431640625	156.0
337.4837646484375	140.0
338.1861267089844	148.0
339.6884460449219	140.0
340.1544494628906	144.0
340.2278747558594	188.0
342.1689758300781	148.0
342.2978515625	164.0
351.1625061035156	140.0
356.17803955078125	176.0
356.4335021972656	172.0
359.8421630859375	148.0
377.9874267578125	188.0
380.8640441894531	200.0
384.5590515136719	156.0
385.4025573730469	172.0
387.3194885253906	148.0
389.8657531738281	164.0
390.28240966796875	160.0
391.1568908691406	216.0
393.02777099609375	148.0
394.9081726074219	172.0
399.22308349609375	160.0
399.3344421386719	152.0
401.4870910644531	104.0
403.27362060546875	180.0
409.0133361816406	140.0
409.87921142578125	252.0
410.988037109375	196.0
411.6581115722656	148.0
422.4901123046875	168.0
422.95660400390625	152.0
423.8288879394531	180.0
427.4546203613281	140.0
429.01971435546875	148.0
429.0898132324219	200.0
433.1851806640625	176.0
433.8772277832031	152.0
433.91455078125	160.0
433.9435729980469	172.0
434.0099182128906	200.0
434.16448974609375	6096.0
434.371826171875	156.0
435.16680908203125	1408.0
436.0341491699219	136.0
436.0854797363281	192.0
436.1628112792969	2096.0
437.16632080078125	444.0
438.0911560058594	172.0
438.2077941894531	208.0
439.11236572265625	164.0
439.8338623046875	104.0
440.6526794433594	140.0
443.31805419921875	152.0
448.1772766113281	116.0
450.5339660644531	196.0
453.5722961425781	156.0
458.1531677246094	172.0
458.6048278808594	172.0
461.11871337890625	160.0
461.2041931152344	156.0
461.8033752441406	140.0
463.7900390625	144.0
463.9258117675781	152.0
464.3082275390625	160.0
464.42535400390625	128.0
464.5870361328125	192.0
464.6385192871094	188.0
464.79791259765625	264.0
464.9029235839844	148.0
465.02301025390625	172.0
465.11053466796875	144.0
465.1922302246094	148.0
465.2419738769531	148.0
465.30987548828125	164.0
465.34930419921875	132.0
465.467529296875	184.0
465.4980773925781	224.0
465.63623046875	160.0
465.7371826171875	188.0
465.790771484375	124.0
465.92095947265625	160.0
466.0234680175781	164.0
466.0929870605469	228.0
466.1925964355469	189428.0
466.29071044921875	348.0
466.39483642578125	180.0
466.4501953125	128.0
466.51312255859375	172.0
466.5441589355469	464.0
466.59478759765625	132.0
466.6504821777344	196.0
466.7669982910156	192.0
466.8227844238281	172.0
466.9008483886719	688.0
467.0260009765625	248.0
467.19476318359375	46832.0
467.3480529785156	148.0
467.5059509277344	176.0
467.5823669433594	184.0
467.65667724609375	140.0
467.7821960449219	144.0
467.86181640625	128.0
467.9777526855469	104.0
468.10504150390625	284.0
468.1892395019531	47344.0
468.4052429199219	164.0
468.4699401855469	188.0
468.5869445800781	128.0
468.6552429199219	104.0
468.7181396484375	152.0
468.7735900878906	188.0
468.9106140136719	148.0
468.947021484375	132.0
469.1916809082031	10580.0
469.4029235839844	172.0
469.4632263183594	156.0
469.53546142578125	200.0
469.6291809082031	156.0
469.6622314453125	316.0
469.70465087890625	176.0
469.7622985839844	176.0
469.8063659667969	108.0
469.9141845703125	128.0
469.9452209472656	180.0
470.0826416015625	248.0
470.1297607421875	120.0
470.1910095214844	908.0
470.28814697265625	180.0
470.40509033203125	256.0
470.4341125488281	152.0
470.59033203125	140.0
470.7622985839844	136.0
470.837158203125	172.0
471.3854675292969	196.0
471.7628173828125	168.0
471.82586669921875	108.0
471.928466796875	216.0
472.0263977050781	192.0
472.0876159667969	120.0
472.1913757324219	124.0
472.8601379394531	148.0
472.9120788574219	160.0
473.1558532714844	96.0
483.36907958984375	112.0
486.94268798828125	192.0
487.6632080078125	140.0
657.3358764648438	104.0
685.0634765625	144.0
1216.1075439453125	148.0
1333.629638671875	148.0
1362.4581298828125	160.0
1431.2589111328125	208.0
1451.9947509765625	176.0
1484.643310546875	140.0
1488.2037353515625	160.0
1521.4642333984375	192.0
1567.1710205078125	180.0
1582.7945556640625	148.0
1632.4208984375	180.0
1682.756103515625	156.0
1698.50927734375	160.0
1700.1337890625	208.0
1705.82568359375	148.0
1729.1019287109375	144.0
1747.115966796875	184.0
1747.556884765625	240.0
1823.7757568359375	140.0
1848.4139404296875	168.0
1849.8004150390625	184.0
1850.7591552734375	164.0
1858.507568359375	148.0
1864.32958984375	144.0
1881.3837890625	160.0
1892.7703857421875	148.0
1895.1610107421875	224.0
1903.1927490234375	144.0
1910.188720703125	140.0
1914.4534912109375	140.0
1918.670654296875	156.0
1933.69482421875	144.0
1942.06201171875	140.0
1953.5601806640625	248.0
1985.9071044921875	180.0
1992.5469970703125	248.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079162
PEPMASS=280.173676
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Doxepin [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CC/C=C\1/c2ccccc2COc3ccccc13
INCHI=InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
INCHIAUX=ODQWQRRAPPTVAG-BOPFTXTBSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079162
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079162
SCANS=1138
45.27081298828125	180.0
45.3002815246582	176.0
45.83769989013672	188.0
46.03194808959961	144.0
46.34847640991211	172.0
46.46779251098633	180.0
47.01070785522461	192.0
47.45937728881836	184.0
47.52658462524414	160.0
48.38386917114258	148.0
48.498844146728516	152.0
48.64985275268555	144.0
48.97682571411133	148.0
49.66452407836914	180.0
51.289222717285156	148.0
51.37335205078125	164.0
52.20696258544922	180.0
53.414669036865234	180.0
53.6884880065918	188.0
53.799381256103516	148.0
53.971778869628906	192.0
53.99956512451172	176.0
54.9617919921875	188.0
55.09614944458008	172.0
55.30760955810547	144.0
55.96527099609375	156.0
56.112060546875	136.0
56.39789581298828	140.0
56.49658966064453	180.0
56.60884475708008	228.0
56.76319122314453	280.0
57.634437561035156	204.0
57.675537109375	164.0
58.85444259643555	248.0
58.92470169067383	128.0
59.514373779296875	216.0
59.87112808227539	140.0
60.33402633666992	176.0
60.42218017578125	148.0
60.470149993896484	152.0
60.56459426879883	144.0
61.802242279052734	156.0
62.28667068481445	180.0
62.54139709472656	264.0
62.561859130859375	188.0
62.9560432434082	164.0
63.08718490600586	160.0
63.1630859375	140.0
63.189979553222656	168.0
63.45130157470703	172.0
63.55121994018555	184.0
63.899173736572266	164.0
64.45083618164062	164.0
64.74037170410156	208.0
64.7547836303711	224.0
65.63043975830078	204.0
66.2998275756836	180.0
69.5374755859375	176.0
70.17125701904297	140.0
70.66227722167969	180.0
71.12311553955078	252.0
71.43734741210938	180.0
72.1135025024414	208.0
72.30292510986328	148.0
73.0086669921875	180.0
74.42699432373047	200.0
74.75015258789062	164.0
75.9109878540039	208.0
76.0864028930664	160.0
76.58704376220703	172.0
77.61112976074219	216.0
79.07857513427734	196.0
79.6139907836914	204.0
79.74012756347656	192.0
79.85035705566406	172.0
80.12448120117188	204.0
80.475830078125	168.0
80.6920166015625	140.0
80.73851013183594	204.0
81.31000518798828	172.0
81.9699935913086	232.0
82.98219299316406	204.0
84.078369140625	148.0
84.12651824951172	260.0
84.30003356933594	200.0
84.73734283447266	164.0
84.96101379394531	176.0
85.494873046875	192.0
86.19644165039062	152.0
86.32953643798828	176.0
86.65531158447266	144.0
87.1544189453125	208.0
87.24549102783203	156.0
87.43521118164062	148.0
87.83206939697266	160.0
88.4674072265625	160.0
88.71656036376953	220.0
89.8260498046875	336.0
90.63142395019531	168.0
90.69206237792969	192.0
91.05440521240234	812.0
91.08470153808594	164.0
91.88628387451172	172.0
92.21089935302734	180.0
92.49971771240234	196.0
92.68780517578125	136.0
92.80049133300781	148.0
93.52857971191406	156.0
94.15518951416016	156.0
94.20926666259766	212.0
94.7354507446289	172.0
94.9428482055664	152.0
95.123291015625	144.0
95.26116180419922	164.0
95.88964080810547	228.0
98.83535766601562	252.0
99.73969268798828	180.0
99.84705352783203	140.0
100.20535278320312	252.0
100.54034423828125	240.0
100.56842803955078	168.0
100.6661148071289	140.0
100.69007873535156	140.0
101.48651123046875	164.0
102.07684326171875	236.0
102.3484878540039	200.0
103.05933380126953	264.0
104.81768798828125	204.0
105.06949615478516	108.0
106.04180908203125	204.0
106.1853256225586	172.0
106.43363189697266	160.0
106.57740783691406	164.0
106.62887573242188	440.0
106.79661560058594	184.0
106.90371704101562	180.0
107.0495376586914	16764.0
107.0828857421875	408.0
107.10089111328125	104.0
107.1969985961914	140.0
107.266845703125	144.0
107.73528289794922	172.0
108.05311584472656	1124.0
108.2130126953125	140.0
109.05353546142578	152.0
109.30479431152344	160.0
109.69425201416016	152.0
109.72552490234375	140.0
109.95806121826172	208.0
111.21283721923828	224.0
111.82656860351562	184.0
111.86235046386719	172.0
112.0287094116211	152.0
113.26021575927734	180.0
113.86894226074219	156.0
114.08992004394531	140.0
114.44947814941406	152.0
114.84586334228516	160.0
115.05496978759766	3264.0
116.05679321289062	572.0
116.4339370727539	216.0
116.84449005126953	180.0
117.0698471069336	5972.0
117.23206329345703	176.0
118.07241821289062	732.0
119.0511474609375	704.0
119.2847671508789	116.0
119.4544906616211	172.0
119.96957397460938	200.0
120.57637023925781	204.0
121.3753890991211	160.0
121.63426971435547	168.0
122.99017333984375	192.0
123.3745346069336	168.0
123.55145263671875	160.0
123.6134033203125	184.0
123.89681243896484	168.0
124.35221862792969	144.0
125.1961898803711	232.0
125.51484680175781	148.0
125.72453308105469	184.0
126.95045471191406	144.0
127.05502319335938	332.0
127.81978607177734	260.0
128.06170654296875	1456.0
128.65370178222656	156.0
128.81402587890625	228.0
129.0700225830078	2748.0
130.0723419189453	308.0
130.55699157714844	220.0
130.6484375	172.0
130.9087371826172	140.0
131.04945373535156	1576.0
131.9021759033203	144.0
132.04818725585938	400.0
133.06591796875	164.0
133.68780517578125	152.0
133.82693481445312	148.0
134.65478515625	184.0
135.17726135253906	152.0
136.40414428710938	176.0
136.9742431640625	148.0
137.8429718017578	144.0
138.1601104736328	220.0
139.33229064941406	164.0
139.4779815673828	184.0
140.45516967773438	224.0
141.070556640625	7132.0
141.63938903808594	144.0
142.07754516601562	4056.0
142.873779296875	152.0
143.08229064941406	1128.0
144.05857849121094	208.0
144.07769775390625	164.0
145.065185546875	180.0
145.10919189453125	156.0
146.1354217529297	140.0
146.3393096923828	172.0
147.01905822753906	148.0
147.0914764404297	184.0
147.8479766845703	192.0
148.85885620117188	192.0
150.03402709960938	176.0
150.09085083007812	608.0
150.20472717285156	152.0
151.08169555664062	172.0
152.06289672851562	540.0
153.06480407714844	360.0
154.0771942138672	176.0
154.36524963378906	180.0
154.5210723876953	160.0
155.06101989746094	148.0
155.5743408203125	188.0
156.71836853027344	140.0
156.91526794433594	156.0
157.06483459472656	824.0
157.10479736328125	156.0
157.45175170898438	168.0
158.07516479492188	116.0
158.10203552246094	324.0
159.08175659179688	204.0
159.10435485839844	160.0
159.38565063476562	192.0
159.62193298339844	156.0
159.7954864501953	168.0
159.9867401123047	164.0
160.077392578125	184.0
160.11297607421875	164.0
162.56736755371094	144.0
163.2379913330078	172.0
164.07566833496094	176.0
164.35877990722656	152.0
164.38821411132812	104.0
164.46450805664062	176.0
164.52212524414062	156.0
165.07012939453125	3980.0
165.0998077392578	180.0
165.60870361328125	176.0
166.07717895507812	3240.0
166.4397735595703	156.0
166.70948791503906	240.0
167.08633422851562	4988.0
167.25987243652344	144.0
167.69773864746094	272.0
168.08901977539062	844.0
168.17747497558594	156.0
169.07040405273438	268.0
169.4912109375	220.0
170.0952911376953	112.0
170.71383666992188	172.0
170.98439025878906	184.0
171.10369873046875	452.0
171.7921142578125	152.0
172.07135009765625	188.0
172.11312866210938	556.0
172.1522979736328	156.0
172.21237182617188	176.0
172.42921447753906	156.0
173.1197052001953	1172.0
173.69384765625	176.0
174.1265411376953	176.0
174.1610565185547	180.0
174.2950439453125	148.0
176.0612335205078	176.0
176.1081085205078	176.0
176.49069213867188	224.0
176.8223419189453	184.0
176.8901824951172	140.0
177.0077667236328	212.0
177.0684356689453	596.0
178.07766723632812	3768.0
178.11158752441406	300.0
179.01593017578125	372.0
179.0856170654297	5136.0
180.0886993408203	1252.0
180.85630798339844	188.0
181.06666564941406	736.0
181.10110473632812	1308.0
181.53538513183594	112.0
182.105712890625	156.0
183.07931518554688	160.0
183.52122497558594	196.0
184.51748657226562	172.0
184.53640747070312	156.0
185.00445556640625	184.0
185.17503356933594	180.0
186.13282775878906	360.0
186.55615234375	192.0
187.13563537597656	300.0
188.75912475585938	160.0
189.07135009765625	324.0
189.92030334472656	180.0
190.0772247314453	316.0
190.9090118408203	168.0
191.08653259277344	3340.0
191.1735382080078	208.0
192.09312438964844	6032.0
193.0654754638672	420.0
193.0975341796875	1380.0
193.646728515625	188.0
194.07301330566406	9292.0
195.07962036132812	4120.0
195.76849365234375	176.0
195.9188995361328	204.0
196.08412170410156	928.0
196.6172637939453	104.0
197.10745239257812	180.0
197.13819885253906	184.0
197.41555786132812	180.0
198.19871520996094	168.0
199.20309448242188	204.0
199.67530822753906	176.0
201.06695556640625	268.0
201.29005432128906	204.0
201.7110137939453	168.0
202.04470825195312	172.0
202.07765197753906	9248.0
202.19122314453125	164.0
203.0833282470703	2268.0
203.60650634765625	148.0
203.6341094970703	172.0
203.89344787597656	152.0
204.0878143310547	364.0
204.45297241210938	220.0
204.71844482421875	140.0
205.06492614746094	708.0
205.10084533691406	720.0
206.0719757080078	512.0
206.10528564453125	176.0
206.20037841796875	104.0
206.3677215576172	168.0
207.08116149902344	5436.0
207.1175537109375	3808.0
207.17897033691406	136.0
207.45562744140625	180.0
208.0854949951172	1340.0
208.11695861816406	384.0
209.09683227539062	1800.0
209.15040588378906	172.0
209.31785583496094	148.0
209.77963256835938	144.0
210.09193420410156	368.0
210.23695373535156	176.0
212.32276916503906	152.0
212.6273956298828	140.0
213.0629425048828	160.0
215.08566284179688	2648.0
215.16270446777344	196.0
215.8931884765625	148.0
216.09320068359375	2180.0
216.36134338378906	224.0
217.1016082763672	5060.0
217.29849243164062	156.0
217.5667266845703	192.0
217.60440063476562	216.0
217.66018676757812	140.0
217.70716857910156	148.0
218.0695037841797	156.0
218.10531616210938	812.0
219.00120544433594	224.0
219.04833984375	188.0
219.080322265625	2924.0
219.11105346679688	288.0
219.345947265625	196.0
219.44029235839844	148.0
219.60487365722656	172.0
219.9506378173828	160.0
220.05307006835938	132.0
220.08843994140625	10688.0
221.09201049804688	2220.0
221.31349182128906	160.0
221.40232849121094	144.0
222.08734130859375	152.0
223.35227966308594	152.0
223.38796997070312	176.0
226.16302490234375	144.0
226.2139129638672	176.0
226.75904846191406	184.0
226.81898498535156	184.0
228.00152587890625	200.0
228.25103759765625	172.0
228.9130401611328	196.0
229.65139770507812	192.0
230.04063415527344	148.0
230.49366760253906	180.0
231.1726837158203	224.0
232.07972717285156	148.0
233.09527587890625	732.0
233.1295623779297	172.0
234.05776977539062	172.0
234.10311889648438	708.0
234.69154357910156	176.0
235.0514678955078	152.0
235.11297607421875	23888.0
235.84243774414062	180.0
235.90357971191406	156.0
236.1160430908203	3568.0
236.21241760253906	196.0
236.49392700195312	144.0
236.9379425048828	160.0
237.11708068847656	480.0
237.56182861328125	132.0
237.9324493408203	100.0
238.12608337402344	168.0
239.19195556640625	140.0
240.32913208007812	160.0
240.79525756835938	148.0
242.26583862304688	116.0
243.22268676757812	144.0
243.49900817871094	160.0
244.08946228027344	152.0
244.97023010253906	156.0
246.4629669189453	224.0
250.20941162109375	144.0
251.09178161621094	168.0
253.33595275878906	152.0
255.35153198242188	216.0
257.09417724609375	172.0
261.66180419921875	172.0
263.5744323730469	160.0
265.24639892578125	116.0
265.67242431640625	160.0
266.50030517578125	204.0
266.7115478515625	140.0
266.7733154296875	156.0
268.7566833496094	184.0
269.23980712890625	140.0
269.435791015625	140.0
273.34075927734375	176.0
275.2196044921875	200.0
276.1944885253906	164.0
276.6809387207031	188.0
277.0128173828125	108.0
278.0697937011719	144.0
278.1531066894531	1092.0
278.3038330078125	104.0
278.76055908203125	184.0
279.084228515625	160.0
279.1446838378906	160.0
279.1645812988281	428.0
279.20452880859375	152.0
279.2669677734375	208.0
279.29534912109375	112.0
279.51312255859375	176.0
279.55865478515625	244.0
279.61846923828125	152.0
279.7360534667969	268.0
279.7983093261719	184.0
279.8415832519531	172.0
279.8951416015625	264.0
279.9441223144531	220.0
279.9726257324219	244.0
280.04656982421875	216.0
280.08917236328125	184.0
280.1720886230469	207160.0
280.29595947265625	124.0
280.35546875	228.0
280.4440002441406	240.0
280.52484130859375	276.0
280.5468444824219	320.0
280.57537841796875	228.0
280.62530517578125	212.0
280.6580505371094	144.0
280.7196350097656	2508.0
280.7760925292969	140.0
280.80108642578125	140.0
280.9508972167969	128.0
280.9733581542969	284.0
281.0279235839844	140.0
281.1744079589844	44072.0
281.28509521484375	184.0
281.4485778808594	96.0
281.5408630371094	268.0
281.64361572265625	180.0
281.6765441894531	132.0
281.9555358886719	132.0
282.0515441894531	152.0
282.1068420410156	140.0
282.1316223144531	172.0
282.1767883300781	5772.0
282.24444580078125	148.0
282.3580017089844	220.0
282.511474609375	148.0
282.6011657714844	152.0
282.6852111816406	168.0
282.7596435546875	216.0
282.85894775390625	432.0
282.8960266113281	148.0
282.9208984375	116.0
282.9728088378906	160.0
283.0059814453125	268.0
283.05859375	184.0
283.0934143066406	176.0
283.14520263671875	116.0
283.1836242675781	316.0
283.2252502441406	184.0
283.28070068359375	104.0
283.36181640625	200.0
283.4678649902344	264.0
283.5347595214844	136.0
283.5980529785156	112.0
283.8608703613281	148.0
284.1017761230469	188.0
284.1630859375	148.0
284.7432861328125	128.0
314.9698486328125	156.0
351.6854248046875	144.0
392.2672424316406	172.0
414.615966796875	144.0
596.9879760742188	164.0
601.5599365234375	108.0
1282.6971435546875	164.0
1312.1683349609375	172.0
1317.55224609375	148.0
1342.01806640625	184.0
1397.198974609375	180.0
1409.755126953125	172.0
1410.293212890625	140.0
1491.3096923828125	188.0
1514.340576171875	140.0
1522.041259765625	176.0
1523.2760009765625	248.0
1538.8514404296875	152.0
1544.266845703125	160.0
1547.6788330078125	204.0
1578.4766845703125	164.0
1588.2733154296875	168.0
1615.852294921875	180.0
1618.309326171875	160.0
1631.338134765625	188.0
1647.0028076171875	208.0
1649.531982421875	180.0
1663.4647216796875	172.0
1666.7620849609375	164.0
1674.4332275390625	180.0
1677.6680908203125	196.0
1686.1324462890625	212.0
1701.482666015625	216.0
1710.755859375	208.0
1712.130859375	144.0
1725.6304931640625	220.0
1730.7603759765625	164.0
1747.01904296875	148.0
1747.67626953125	156.0
1766.012451171875	156.0
1766.8656005859375	208.0
1767.7274169921875	212.0
1779.940673828125	148.0
1797.626220703125	236.0
1802.9718017578125	176.0
1804.1719970703125	204.0
1811.441162109375	160.0
1819.709716796875	208.0
1820.7286376953125	204.0
1831.17236328125	160.0
1831.4534912109375	168.0
1833.7879638671875	168.0
1843.6025390625	152.0
1848.28857421875	172.0
1851.7213134765625	156.0
1854.10302734375	188.0
1857.995849609375	144.0
1861.6951904296875	148.0
1868.5888671875	188.0
1872.832763671875	176.0
1879.2723388671875	152.0
1886.1983642578125	200.0
1893.8646240234375	144.0
1896.22998046875	152.0
1905.94921875	160.0
1914.221435546875	160.0
1914.2998046875	196.0
1916.825927734375	164.0
1919.1358642578125	164.0
1920.094970703125	184.0
1927.410400390625	148.0
1942.2669677734375	204.0
1943.21435546875	160.0
1946.1195068359375	184.0
1949.914306640625	172.0
1950.2386474609375	180.0
1952.4814453125	140.0
1973.3623046875	192.0
1975.1309814453125	184.0
1988.0484619140625	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079163
PEPMASS=256.172974
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Diphenhydramine 147-24-0 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CCOC(c1ccccc1)c2ccccc2
INCHI=InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
INCHIAUX=ZZVUWRFHKOJYTH-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079163
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079163
SCANS=1139
44.99403381347656	144.0
45.11025619506836	148.0
45.12095260620117	160.0
45.18113327026367	204.0
45.587406158447266	144.0
45.62638473510742	144.0
45.65462112426758	204.0
45.77296829223633	184.0
45.80805969238281	164.0
45.87543869018555	216.0
45.96580505371094	172.0
45.99009704589844	236.0
46.016387939453125	136.0
46.31189727783203	148.0
46.50442886352539	160.0
46.528865814208984	164.0
46.55059051513672	144.0
46.633460998535156	172.0
46.76811599731445	164.0
46.79261779785156	152.0
46.89596939086914	216.0
47.02273178100586	212.0
47.15410232543945	216.0
47.17791748046875	276.0
47.40209197998047	192.0
47.43606948852539	180.0
47.65427780151367	144.0
47.83258056640625	184.0
47.91292953491211	196.0
47.96253967285156	148.0
47.974945068359375	228.0
48.01493453979492	204.0
48.13085174560547	196.0
48.15985107421875	228.0
48.30417251586914	176.0
48.808433532714844	140.0
48.92669677734375	176.0
48.960113525390625	164.0
48.97760772705078	184.0
49.147151947021484	136.0
49.47394943237305	216.0
49.65751266479492	176.0
49.86362075805664	180.0
49.918724060058594	160.0
50.029876708984375	168.0
50.307594299316406	216.0
50.38608169555664	236.0
50.40504837036133	208.0
50.433311462402344	140.0
50.48453903198242	172.0
50.54503631591797	196.0
50.564849853515625	204.0
50.69514083862305	312.0
50.777366638183594	176.0
51.04150390625	172.0
51.12400817871094	192.0
51.16386413574219	152.0
51.24646759033203	152.0
51.36336898803711	180.0
51.39475631713867	196.0
51.434715270996094	196.0
51.462528228759766	224.0
51.59470748901367	164.0
51.62330627441406	164.0
51.70914077758789	144.0
51.916229248046875	112.0
52.03310012817383	140.0
52.06612777709961	192.0
52.20673751831055	152.0
52.29328536987305	140.0
52.450103759765625	160.0
52.598854064941406	156.0
52.630615234375	176.0
52.89494323730469	168.0
52.91110610961914	332.0
52.927032470703125	148.0
53.093048095703125	128.0
53.339054107666016	152.0
53.36958694458008	188.0
53.40739440917969	220.0
53.46413803100586	156.0
53.58353805541992	148.0
53.866554260253906	160.0
53.90277099609375	208.0
54.01711654663086	140.0
54.08296203613281	192.0
54.110774993896484	192.0
54.2436637878418	124.0
54.46272277832031	140.0
54.53913116455078	168.0
54.777503967285156	208.0
55.12569808959961	204.0
55.1981315612793	192.0
55.20905685424805	164.0
55.41127014160156	200.0
55.491302490234375	188.0
55.509098052978516	200.0
55.53727340698242	148.0
55.69758224487305	248.0
55.86766815185547	124.0
55.892333984375	152.0
55.92805099487305	188.0
55.95782470703125	144.0
56.17093276977539	172.0
56.18286895751953	176.0
56.484622955322266	148.0
56.5190315246582	216.0
56.737701416015625	192.0
57.02891540527344	160.0
57.05146408081055	200.0
57.072513580322266	212.0
57.15286636352539	192.0
57.18684387207031	204.0
57.32087707519531	172.0
57.34649658203125	208.0
57.4339485168457	184.0
57.48826217651367	188.0
57.52146530151367	168.0
57.64850616455078	140.0
57.7420654296875	156.0
58.0267448425293	256.0
58.07223892211914	160.0
58.20730209350586	156.0
58.432254791259766	164.0
58.444427490234375	164.0
58.5085334777832	164.0
58.613182067871094	164.0
58.76897048950195	168.0
58.854190826416016	96.0
58.93692398071289	164.0
59.314937591552734	156.0
59.402339935302734	172.0
60.12858963012695	176.0
60.2984733581543	156.0
60.448482513427734	160.0
60.52719497680664	188.0
60.7025260925293	140.0
60.790016174316406	160.0
60.834407806396484	224.0
60.90217208862305	156.0
61.086151123046875	188.0
61.29253387451172	164.0
61.32951354980469	124.0
61.394134521484375	168.0
61.683387756347656	184.0
61.71308898925781	168.0
61.83354187011719	264.0
61.8992919921875	188.0
61.96350860595703	188.0
62.13125991821289	200.0
62.175193786621094	200.0
62.23170471191406	152.0
62.3290901184082	196.0
62.69416809082031	148.0
62.76668167114258	156.0
62.81084060668945	140.0
62.98052978515625	168.0
63.08876419067383	208.0
63.232704162597656	212.0
63.300777435302734	244.0
63.41325759887695	244.0
63.66233444213867	188.0
63.689334869384766	176.0
63.859405517578125	208.0
63.93099594116211	152.0
63.97237777709961	152.0
64.12847900390625	176.0
64.33378601074219	152.0
64.5179672241211	200.0
64.61579895019531	256.0
64.64752197265625	404.0
64.70194244384766	188.0
64.90877532958984	132.0
65.12055206298828	224.0
65.27474212646484	144.0
65.52583312988281	160.0
65.91307067871094	156.0
66.01006317138672	164.0
66.06343078613281	148.0
66.07476043701172	152.0
66.13301086425781	148.0
66.41007232666016	180.0
66.51554107666016	140.0
66.61297607421875	180.0
66.70072174072266	184.0
66.7803955078125	208.0
66.88289642333984	156.0
67.0001449584961	156.0
67.01644134521484	224.0
67.08488464355469	172.0
67.12890625	196.0
67.16968536376953	152.0
67.20067596435547	204.0
67.32637023925781	168.0
67.55846405029297	164.0
67.83686065673828	144.0
67.85816955566406	140.0
67.89096069335938	212.0
67.95001220703125	172.0
68.31143188476562	156.0
68.3695068359375	216.0
68.60125732421875	156.0
68.97763061523438	180.0
69.01565551757812	168.0
69.08842468261719	196.0
69.22579956054688	148.0
69.29371643066406	148.0
69.44124603271484	176.0
69.83654022216797	156.0
70.14958190917969	196.0
70.23796081542969	144.0
70.36478424072266	156.0
70.46893310546875	180.0
70.53277587890625	228.0
70.79283905029297	176.0
70.80958557128906	160.0
70.86821746826172	280.0
70.98219299316406	200.0
71.07109069824219	160.0
71.30115509033203	152.0
71.3680419921875	172.0
71.5467300415039	148.0
72.14562225341797	140.0
72.2467269897461	168.0
72.374267578125	140.0
72.59600067138672	152.0
72.6384048461914	156.0
72.68035888671875	184.0
72.79345703125	156.0
73.0004653930664	180.0
73.01547241210938	244.0
73.12605285644531	152.0
73.2831802368164	120.0
73.31680297851562	208.0
73.37134552001953	176.0
73.58972930908203	208.0
74.0411605834961	152.0
74.17308807373047	148.0
74.21937561035156	196.0
74.31371307373047	140.0
74.51131439208984	172.0
74.652099609375	188.0
75.07400512695312	140.0
75.13782501220703	184.0
75.25691223144531	160.0
75.34405517578125	256.0
75.70649719238281	148.0
75.85897064208984	160.0
75.87630462646484	208.0
75.88844299316406	356.0
75.92832946777344	148.0
75.97449493408203	208.0
75.9890365600586	180.0
76.1053237915039	232.0
76.20954132080078	152.0
76.350341796875	188.0
76.42166137695312	160.0
76.51738739013672	200.0
76.57659149169922	180.0
76.71075439453125	164.0
76.83980560302734	148.0
76.85900115966797	160.0
76.98992156982422	148.0
77.15006256103516	184.0
77.37566375732422	132.0
77.69005584716797	140.0
77.89368438720703	160.0
77.90597534179688	140.0
77.99765014648438	224.0
78.08733367919922	136.0
78.10516357421875	128.0
78.12396240234375	184.0
78.14155578613281	168.0
78.28060913085938	184.0
78.56790924072266	180.0
78.76738739013672	232.0
78.91053009033203	164.0
79.16178131103516	176.0
79.20606231689453	176.0
79.24503326416016	176.0
79.35669708251953	184.0
79.53764343261719	144.0
79.58557891845703	232.0
79.62641906738281	248.0
79.70280456542969	176.0
80.18763732910156	216.0
80.28311920166016	140.0
80.2991714477539	148.0
80.4133529663086	200.0
80.67056274414062	184.0
80.7081069946289	208.0
80.74661254882812	140.0
80.7850112915039	140.0
81.34590148925781	160.0
81.66934204101562	176.0
82.18456268310547	140.0
82.27706909179688	220.0
82.3127212524414	176.0
82.38135528564453	140.0
82.40303039550781	172.0
82.51146697998047	184.0
82.64169311523438	168.0
82.84808349609375	176.0
82.93505859375	200.0
83.14000701904297	208.0
83.34060668945312	220.0
83.37063598632812	172.0
83.62525177001953	284.0
83.75999450683594	148.0
83.83625030517578	140.0
83.95865631103516	188.0
83.99148559570312	184.0
84.22017669677734	176.0
84.292724609375	180.0
84.49018859863281	172.0
84.55422973632812	164.0
84.71772003173828	124.0
84.82714080810547	196.0
85.041748046875	156.0
85.14640045166016	288.0
85.20885467529297	176.0
85.57266235351562	168.0
85.71852111816406	152.0
85.82543182373047	160.0
85.93255615234375	196.0
86.01360321044922	220.0
86.2091064453125	160.0
86.60159301757812	140.0
86.67013549804688	224.0
86.74612426757812	436.0
86.8128662109375	144.0
86.9334487915039	144.0
87.03062438964844	104.0
87.11726379394531	144.0
87.16556549072266	160.0
87.24920654296875	140.0
87.43148803710938	184.0
87.477294921875	156.0
87.60651397705078	180.0
87.6251449584961	148.0
87.6996841430664	248.0
87.76679229736328	168.0
87.93282318115234	156.0
88.0915298461914	180.0
88.18682861328125	140.0
88.31397247314453	176.0
88.36260223388672	172.0
88.55728912353516	156.0
88.80281829833984	152.0
88.85721588134766	156.0
89.01675415039062	156.0
89.09257507324219	208.0
89.32498168945312	188.0
89.43412017822266	184.0
89.50377655029297	160.0
89.62491607666016	140.0
89.65635681152344	172.0
89.76569366455078	148.0
90.0506591796875	156.0
90.24152374267578	172.0
90.26609802246094	144.0
90.38526916503906	172.0
90.40608215332031	144.0
90.52534484863281	152.0
90.85894012451172	140.0
91.00507354736328	172.0
91.06964111328125	208.0
91.10383605957031	144.0
91.21405029296875	168.0
91.45942687988281	172.0
91.96833801269531	180.0
92.1546859741211	172.0
92.43656158447266	168.0
92.52323913574219	240.0
93.0268783569336	252.0
93.08255004882812	184.0
93.14208984375	200.0
93.18627166748047	160.0
93.24776458740234	168.0
93.27467346191406	180.0
93.32273864746094	212.0
93.34698486328125	236.0
93.50196838378906	184.0
93.54584503173828	132.0
93.70574188232422	144.0
93.75006103515625	184.0
93.78860473632812	140.0
93.91779327392578	140.0
94.62506866455078	140.0
94.7005844116211	192.0
94.87886047363281	220.0
95.11552429199219	184.0
95.2669906616211	176.0
95.76300048828125	160.0
95.92472839355469	140.0
96.17635345458984	248.0
96.4967269897461	168.0
96.5632095336914	196.0
96.5945053100586	192.0
97.05474090576172	172.0
97.10964965820312	224.0
97.18418884277344	156.0
97.3804931640625	188.0
97.45907592773438	176.0
97.51213073730469	208.0
97.54254150390625	204.0
97.57128143310547	176.0
97.73828125	164.0
97.77960968017578	164.0
97.99818420410156	140.0
98.04744720458984	176.0
98.31170654296875	180.0
98.37683868408203	200.0
98.4637222290039	176.0
98.53878021240234	168.0
98.61387634277344	164.0
98.73130798339844	160.0
98.99173736572266	152.0
99.1026611328125	156.0
99.34452819824219	152.0
99.61053466796875	160.0
99.64827728271484	140.0
99.72237396240234	180.0
100.15355682373047	232.0
100.2272720336914	240.0
100.31900024414062	160.0
100.70405578613281	156.0
100.83592224121094	168.0
100.90875244140625	172.0
100.98854064941406	144.0
101.20199584960938	148.0
101.28009796142578	156.0
101.49653625488281	164.0
101.9682846069336	144.0
102.08890533447266	164.0
102.46127319335938	188.0
102.52374267578125	164.0
102.57614135742188	180.0
102.74553680419922	140.0
102.7635726928711	136.0
103.11708068847656	164.0
103.1744613647461	144.0
103.61763000488281	132.0
103.68173217773438	188.0
103.81147003173828	144.0
103.87434387207031	140.0
104.13821411132812	180.0
104.15852355957031	168.0
104.4410629272461	156.0
104.93590545654297	168.0
104.95833587646484	180.0
105.07255554199219	188.0
105.54435729980469	224.0
105.64456939697266	140.0
105.71617889404297	200.0
106.00696563720703	152.0
106.03975677490234	188.0
106.69866943359375	156.0
107.08552551269531	124.0
107.13496398925781	180.0
107.16380310058594	200.0
107.34896850585938	188.0
107.39452362060547	148.0
107.40160369873047	136.0
107.43388366699219	204.0
107.70879364013672	204.0
107.79519653320312	156.0
108.04531860351562	132.0
108.411865234375	188.0
108.73538970947266	152.0
108.87448120117188	264.0
109.04484558105469	152.0
109.29647064208984	176.0
109.33184051513672	144.0
109.47965240478516	232.0
109.55255126953125	144.0
110.15209197998047	184.0
110.19928741455078	204.0
110.59803771972656	224.0
111.00933837890625	196.0
111.05757141113281	152.0
111.09850311279297	156.0
111.34931182861328	148.0
111.46275329589844	196.0
111.78973388671875	160.0
112.27953338623047	204.0
112.31538391113281	176.0
112.63223266601562	224.0
112.67847442626953	224.0
112.73666381835938	148.0
112.79682159423828	176.0
113.05484771728516	140.0
113.20726776123047	164.0
113.38734436035156	184.0
113.40641784667969	164.0
113.43936157226562	140.0
113.47212982177734	160.0
114.04740905761719	236.0
114.2621841430664	252.0
114.54531860351562	160.0
114.65611267089844	276.0
114.82879638671875	172.0
114.8949203491211	144.0
114.9696044921875	180.0
115.05711364746094	404.0
115.2942123413086	252.0
115.53582763671875	164.0
115.6877670288086	180.0
116.0552978515625	168.0
116.15277099609375	152.0
116.754150390625	152.0
117.08199310302734	220.0
117.15416717529297	184.0
117.82758331298828	144.0
117.95508575439453	164.0
117.98102569580078	172.0
118.03291320800781	200.0
118.2622299194336	180.0
118.29300689697266	164.0
118.44231414794922	140.0
118.79310607910156	224.0
118.84734344482422	172.0
118.89942169189453	148.0
119.13826751708984	164.0
119.20127868652344	152.0
119.21649169921875	188.0
119.26647186279297	180.0
119.42302703857422	144.0
119.48035430908203	180.0
119.9477767944336	172.0
119.98919677734375	176.0
120.109130859375	196.0
120.16526794433594	180.0
120.5064468383789	172.0
120.53922271728516	200.0
120.6178970336914	188.0
120.70075225830078	196.0
120.74690246582031	176.0
121.73859405517578	228.0
121.86925506591797	220.0
121.9505615234375	172.0
121.98078155517578	276.0
122.14845275878906	156.0
122.17704772949219	164.0
122.2144546508789	228.0
122.26506042480469	260.0
122.3200912475586	168.0
122.54912567138672	172.0
122.67694854736328	260.0
122.95418548583984	156.0
122.98355102539062	152.0
123.11823272705078	152.0
123.50373840332031	168.0
123.59127807617188	152.0
123.73942565917969	180.0
123.79308319091797	236.0
123.81826782226562	148.0
124.16864776611328	176.0
124.3935546875	192.0
124.4979019165039	152.0
124.59119415283203	144.0
124.68895721435547	144.0
124.79121398925781	160.0
124.94244384765625	148.0
125.15388488769531	144.0
125.18505859375	188.0
125.32315826416016	156.0
125.4925537109375	148.0
126.04810333251953	192.0
126.15113830566406	148.0
126.22268676757812	180.0
126.23833465576172	164.0
126.2562255859375	160.0
126.27411651611328	244.0
126.4352035522461	196.0
126.57623291015625	176.0
126.65237426757812	164.0
126.7576675415039	176.0
126.98857879638672	144.0
127.0499267578125	240.0
127.08952331542969	140.0
127.10747528076172	212.0
127.37014770507812	140.0
127.67131805419922	200.0
128.00436401367188	180.0
128.06163024902344	1204.0
128.20826721191406	132.0
128.500244140625	140.0
128.6469268798828	188.0
128.7361602783203	100.0
128.8230743408203	244.0
128.8976287841797	168.0
128.97447204589844	200.0
129.01515197753906	148.0
129.0422821044922	200.0
129.0664520263672	472.0
129.1508331298828	172.0
129.17095947265625	160.0
129.29110717773438	164.0
129.3567352294922	168.0
129.92327880859375	140.0
130.20785522460938	148.0
130.47740173339844	188.0
130.64114379882812	200.0
130.85507202148438	200.0
130.9210968017578	152.0
131.04638671875	344.0
131.07371520996094	156.0
131.1398162841797	148.0
131.3290557861328	216.0
131.50717163085938	180.0
131.52755737304688	232.0
131.5435333251953	200.0
131.57321166992188	180.0
131.72850036621094	116.0
132.22238159179688	156.0
132.2726287841797	168.0
132.4314727783203	252.0
132.46905517578125	156.0
132.59568786621094	180.0
132.64031982421875	168.0
132.75845336914062	168.0
132.79515075683594	192.0
132.9401397705078	160.0
133.1830291748047	200.0
133.3622589111328	184.0
133.40362548828125	188.0
133.57379150390625	308.0
133.6359100341797	204.0
133.82003784179688	144.0
133.97894287109375	160.0
134.04115295410156	156.0
134.0941619873047	160.0
134.22325134277344	212.0
134.4899444580078	212.0
134.84886169433594	180.0
134.9910430908203	128.0
135.0523223876953	148.0
135.1471710205078	168.0
135.2374267578125	144.0
135.52345275878906	152.0
135.77725219726562	256.0
135.84451293945312	208.0
135.92572021484375	164.0
135.9582061767578	156.0
135.97677612304688	148.0
136.12796020507812	156.0
136.22056579589844	204.0
136.32601928710938	176.0
136.39251708984375	164.0
136.70143127441406	180.0
136.8042449951172	172.0
136.92300415039062	152.0
137.22401428222656	176.0
137.3762969970703	168.0
137.5151824951172	156.0
137.8701629638672	140.0
137.92669677734375	192.0
138.17881774902344	148.0
138.277099609375	200.0
138.44566345214844	148.0
138.6119842529297	160.0
138.87689208984375	172.0
138.9730682373047	220.0
139.05471801757812	196.0
139.11154174804688	140.0
139.2007598876953	160.0
139.22633361816406	184.0
139.35108947753906	160.0
139.53675842285156	176.0
139.68960571289062	148.0
139.9838104248047	172.0
140.021484375	140.0
140.0632781982422	304.0
140.4056396484375	164.0
140.44100952148438	176.0
140.74307250976562	152.0
140.79568481445312	116.0
140.8162841796875	148.0
140.85171508789062	192.0
141.07057189941406	3500.0
141.13824462890625	180.0
141.29214477539062	124.0
141.43101501464844	152.0
141.5659637451172	168.0
141.6085968017578	188.0
142.07054138183594	256.0
142.40313720703125	160.0
143.0022735595703	176.0
143.3913116455078	208.0
143.5335235595703	244.0
144.01797485351562	176.0
144.05142211914062	192.0
144.38604736328125	232.0
144.48171997070312	148.0
144.5718994140625	208.0
144.64443969726562	160.0
144.85037231445312	208.0
144.9052276611328	156.0
145.13076782226562	188.0
145.32264709472656	148.0
145.45223999023438	176.0
145.80770874023438	172.0
146.04092407226562	184.0
146.39710998535156	176.0
146.55126953125	160.0
146.5748291015625	156.0
146.6163330078125	204.0
146.6380157470703	148.0
146.7296142578125	160.0
146.86224365234375	148.0
147.03077697753906	164.0
147.38851928710938	200.0
147.60122680664062	156.0
147.77735900878906	172.0
147.92868041992188	312.0
147.95932006835938	184.0
148.09735107421875	184.0
148.12399291992188	336.0
148.33238220214844	256.0
148.7156219482422	176.0
148.8661346435547	236.0
149.206298828125	224.0
149.2354736328125	184.0
149.30531311035156	172.0
149.60568237304688	220.0
149.74249267578125	180.0
149.90972900390625	188.0
150.045166015625	788.0
150.21449279785156	192.0
150.2974395751953	220.0
150.3804168701172	152.0
150.72474670410156	196.0
150.90072631835938	156.0
151.00253295898438	152.0
151.05519104003906	3772.0
151.1337890625	128.0
151.2995147705078	180.0
151.3607177734375	148.0
151.56402587890625	208.0
151.7674560546875	216.0
151.8258514404297	216.0
151.93177795410156	164.0
151.9665069580078	236.0
151.99241638183594	228.0
152.0223846435547	308.0
152.0630340576172	92628.0
152.14186096191406	212.0
152.18173217773438	116.0
152.24435424804688	152.0
152.37278747558594	132.0
152.4506378173828	184.0
152.53233337402344	208.0
152.61868286132812	100.0
152.70950317382812	184.0
152.94912719726562	180.0
153.06558227539062	10140.0
153.12904357910156	104.0
153.5607452392578	136.0
153.67474365234375	152.0
153.79165649414062	184.0
153.8108673095703	112.0
153.89370727539062	172.0
153.95590209960938	172.0
153.98309326171875	232.0
154.02523803710938	104.0
154.06863403320312	628.0
154.30838012695312	252.0
154.37342834472656	116.0
154.60572814941406	192.0
155.01177978515625	176.0
155.0491180419922	452.0
155.3327178955078	136.0
155.3758087158203	212.0
155.5271759033203	172.0
155.5966796875	144.0
155.74879455566406	188.0
155.7730712890625	140.0
155.86244201660156	144.0
156.1508026123047	192.0
157.24453735351562	156.0
157.27198791503906	148.0
157.4127655029297	144.0
157.60662841796875	152.0
157.7965850830078	208.0
158.044189453125	148.0
158.07672119140625	160.0
158.16932678222656	148.0
158.1938018798828	164.0
158.22689819335938	224.0
158.69790649414062	172.0
158.738037109375	236.0
158.84336853027344	144.0
159.4208221435547	144.0
159.64093017578125	216.0
159.8382568359375	188.0
159.8709716796875	144.0
159.9540252685547	164.0
160.12522888183594	220.0
160.2055206298828	160.0
160.7857666015625	152.0
160.89683532714844	160.0
160.98081970214844	164.0
161.01803588867188	152.0
161.1089630126953	140.0
161.40634155273438	164.0
161.74366760253906	156.0
162.09823608398438	148.0
162.3087921142578	188.0
162.9066619873047	296.0
162.9888916015625	196.0
163.0244598388672	228.0
163.0556182861328	536.0
163.0886688232422	120.0
163.11911010742188	180.0
163.32701110839844	164.0
163.58909606933594	140.0
163.8641357421875	148.0
163.96351623535156	152.0
164.0001678466797	168.0
164.02679443359375	156.0
164.06387329101562	744.0
164.1980743408203	160.0
164.22357177734375	252.0
164.3730926513672	136.0
164.39450073242188	188.0
164.54940795898438	136.0
164.65489196777344	172.0
164.77239990234375	148.0
164.8853302001953	224.0
164.98855590820312	124.0
165.0296630859375	312.0
165.07061767578125	99804.0
165.13026428222656	176.0
165.17327880859375	288.0
165.20443725585938	192.0
165.37001037597656	152.0
165.6461639404297	136.0
165.71014404296875	160.0
165.76771545410156	164.0
165.82540893554688	148.0
165.90420532226562	216.0
165.95315551757812	256.0
165.99514770507812	116.0
166.02606201171875	304.0
166.07737731933594	37428.0
166.12196350097656	196.0
166.1619873046875	456.0
166.18551635742188	188.0
166.344482421875	176.0
166.37245178222656	128.0
166.45062255859375	100.0
166.47161865234375	160.0
166.5138397216797	272.0
166.5462646484375	204.0
166.59735107421875	192.0
166.63389587402344	188.0
166.65699768066406	112.0
166.68382263183594	268.0
166.7294921875	168.0
166.7565155029297	96.0
166.78482055664062	140.0
166.83677673339844	164.0
166.88145446777344	240.0
166.92030334472656	324.0
166.95236206054688	364.0
166.98001098632812	228.0
166.99896240234375	204.0
167.01248168945312	288.0
167.06008911132812	540.0
167.08773803710938	407724.0
167.1814422607422	200.0
167.2532958984375	184.0
167.27597045898438	368.0
167.32225036621094	488.0
167.36834716796875	404.0
167.4029083251953	200.0
167.44564819335938	212.0
167.4828338623047	676.0
167.5095672607422	13668.0
167.5478973388672	164.0
167.5900421142578	236.0
167.63209533691406	252.0
167.6497344970703	456.0
167.71693420410156	152.0
167.77708435058594	256.0
167.8506317138672	192.0
167.88681030273438	272.0
167.93368530273438	116.0
167.95498657226562	164.0
168.03561401367188	140.0
168.05899047851562	256.0
168.09002685546875	92964.0
168.16470336914062	116.0
168.1981201171875	256.0
168.2188262939453	160.0
168.2671356201172	164.0
168.3372802734375	144.0
168.4026641845703	292.0
168.4302215576172	168.0
168.45101928710938	256.0
168.51016235351562	136.0
168.7263946533203	116.0
168.75682067871094	156.0
168.9544677734375	156.0
168.99081420898438	120.0
169.0664825439453	1276.0
169.0924530029297	5344.0
169.13778686523438	168.0
169.20570373535156	256.0
169.2317352294922	272.0
169.28561401367188	216.0
169.3662872314453	340.0
169.39930725097656	196.0
169.44259643554688	220.0
169.47976684570312	336.0
169.52206420898438	224.0
169.54617309570312	148.0
169.66696166992188	152.0
170.07391357421875	388.0
170.10020446777344	256.0
170.29965209960938	180.0
170.3319549560547	172.0
170.3710479736328	124.0
170.39796447753906	112.0
170.57083129882812	164.0
171.25254821777344	148.0
171.8816680908203	116.0
173.7987823486328	180.0
174.54879760742188	104.0
175.29905700683594	108.0
176.14303588867188	160.0
177.1257781982422	144.0
177.20266723632812	204.0
177.31283569335938	104.0
177.43698120117188	136.0
177.99462890625	124.0
178.23696899414062	132.0
178.29483032226562	108.0
178.85177612304688	140.0
179.0603485107422	1232.0
179.60049438476562	140.0
179.6778564453125	152.0
180.0664825439453	176.0
181.00509643554688	104.0
181.06210327148438	180.0
181.70730590820312	120.0
181.74871826171875	140.0
183.65066528320312	168.0
183.8449249267578	144.0
185.01527404785156	140.0
193.0751495361328	188.0
196.05104064941406	336.0
211.016845703125	148.0
241.039306640625	176.0
246.1460418701172	188.0
255.1734619140625	176.0
256.1705322265625	2168.0
256.272216796875	160.0
257.1738586425781	392.0
258.1726989746094	164.0
258.6218566894531	220.0
265.89306640625	144.0
332.2289123535156	140.0
512.2045288085938	160.0
842.4976806640625	144.0
941.4048461914062	156.0
1042.62939453125	140.0
1080.1712646484375	152.0
1167.486328125	240.0
1204.18701171875	140.0
1239.7100830078125	148.0
1258.2017822265625	160.0
1267.6583251953125	188.0
1278.75830078125	212.0
1308.7821044921875	208.0
1318.4482421875	164.0
1320.7183837890625	168.0
1322.11474609375	184.0
1345.9654541015625	148.0
1354.903076171875	188.0
1363.0618896484375	188.0
1363.333740234375	152.0
1364.23046875	196.0
1366.010009765625	156.0
1376.697021484375	152.0
1380.8577880859375	140.0
1383.05517578125	168.0
1394.767333984375	140.0
1400.466796875	184.0
1400.668701171875	188.0
1401.6588134765625	140.0
1405.849609375	176.0
1407.879638671875	124.0
1421.6619873046875	168.0
1427.792236328125	176.0
1430.5384521484375	148.0
1430.892333984375	192.0
1431.4344482421875	148.0
1432.2100830078125	160.0
1434.892822265625	256.0
1439.102783203125	260.0
1439.6690673828125	192.0
1454.4326171875	168.0
1460.0245361328125	164.0
1467.6622314453125	176.0
1467.8909912109375	140.0
1471.33203125	256.0
1473.6920166015625	180.0
1476.023193359375	180.0
1477.30810546875	172.0
1477.4075927734375	180.0
1483.028076171875	156.0
1488.451904296875	164.0
1500.27734375	152.0
1501.5418701171875	140.0
1502.112548828125	140.0
1507.123046875	196.0
1509.890380859375	140.0
1512.7686767578125	140.0
1513.92236328125	176.0
1514.03076171875	148.0
1515.33203125	156.0
1516.564208984375	148.0
1516.990478515625	244.0
1521.9635009765625	212.0
1522.14990234375	144.0
1522.63134765625	184.0
1531.326416015625	144.0
1537.376220703125	208.0
1540.413330078125	148.0
1541.96826171875	148.0
1542.1168212890625	212.0
1546.285400390625	180.0
1547.1229248046875	140.0
1558.1807861328125	144.0
1559.1629638671875	180.0
1569.5618896484375	160.0
1571.210205078125	164.0
1574.0753173828125	240.0
1575.963134765625	228.0
1578.935302734375	152.0
1582.2666015625	148.0
1591.4158935546875	156.0
1594.021240234375	160.0
1596.0640869140625	160.0
1596.4775390625	340.0
1601.4356689453125	184.0
1603.5533447265625	148.0
1604.44775390625	172.0
1607.13134765625	128.0
1608.500244140625	192.0
1611.1993408203125	152.0
1611.510986328125	164.0
1611.8065185546875	172.0
1617.28466796875	192.0
1619.0860595703125	172.0
1626.2054443359375	188.0
1628.5308837890625	216.0
1633.091064453125	240.0
1633.4530029296875	188.0
1635.1265869140625	260.0
1636.1890869140625	180.0
1636.688232421875	140.0
1639.5267333984375	256.0
1643.9268798828125	272.0
1644.9437255859375	184.0
1645.452392578125	172.0
1651.31884765625	172.0
1656.4505615234375	176.0
1656.7745361328125	204.0
1656.9366455078125	144.0
1660.4058837890625	152.0
1664.8775634765625	216.0
1667.1846923828125	220.0
1667.430419921875	148.0
1670.420654296875	160.0
1672.88623046875	248.0
1675.0767822265625	224.0
1675.1500244140625	188.0
1676.787841796875	200.0
1679.388671875	140.0
1684.7352294921875	180.0
1687.3585205078125	144.0
1687.767333984375	208.0
1690.42578125	184.0
1690.7449951171875	188.0
1691.6370849609375	148.0
1692.04638671875	152.0
1694.6180419921875	168.0
1702.287353515625	144.0
1705.343505859375	172.0
1705.738037109375	172.0
1705.8941650390625	188.0
1708.40234375	196.0
1712.5592041015625	172.0
1718.7091064453125	172.0
1726.15966796875	236.0
1727.92138671875	156.0
1728.55859375	144.0
1731.00048828125	140.0
1731.745849609375	156.0
1734.3309326171875	180.0
1736.8017578125	160.0
1741.8485107421875	180.0
1742.07275390625	220.0
1742.1475830078125	176.0
1742.5545654296875	180.0
1742.945068359375	176.0
1743.718017578125	180.0
1744.0338134765625	192.0
1748.6416015625	176.0
1753.9388427734375	196.0
1754.7391357421875	156.0
1756.8907470703125	144.0
1756.9658203125	152.0
1757.2578125	148.0
1763.6043701171875	180.0
1769.10009765625	148.0
1769.987548828125	140.0
1770.90869140625	156.0
1775.4847412109375	156.0
1775.82861328125	152.0
1780.3521728515625	140.0
1782.6455078125	172.0
1783.048828125	188.0
1784.780517578125	140.0
1785.2093505859375	188.0
1788.33056640625	156.0
1792.4403076171875	160.0
1792.6678466796875	216.0
1792.8363037109375	144.0
1793.055419921875	156.0
1793.26611328125	168.0
1796.1497802734375	188.0
1797.6177978515625	204.0
1798.5545654296875	148.0
1799.46630859375	156.0
1800.9356689453125	200.0
1803.8760986328125	164.0
1804.256591796875	216.0
1805.7025146484375	220.0
1807.6566162109375	148.0
1812.5302734375	112.0
1813.1103515625	140.0
1813.5594482421875	144.0
1814.966796875	252.0
1819.5399169921875	156.0
1821.0513916015625	216.0
1821.229736328125	160.0
1822.4019775390625	172.0
1822.5634765625	152.0
1824.26318359375	176.0
1824.3397216796875	236.0
1825.1558837890625	148.0
1827.8192138671875	188.0
1827.92041015625	148.0
1828.1927490234375	308.0
1828.6182861328125	176.0
1829.912109375	144.0
1832.109375	152.0
1832.6375732421875	172.0
1833.39599609375	148.0
1833.498291015625	288.0
1833.7879638671875	260.0
1835.6976318359375	212.0
1835.8511962890625	140.0
1836.1751708984375	144.0
1840.254150390625	156.0
1842.551513671875	152.0
1844.115234375	144.0
1845.5599365234375	152.0
1847.3988037109375	208.0
1848.64794921875	160.0
1850.017333984375	196.0
1851.866943359375	144.0
1852.971923828125	160.0
1855.4144287109375	144.0
1855.9117431640625	164.0
1856.7606201171875	156.0
1857.7899169921875	188.0
1859.12841796875	216.0
1859.41162109375	156.0
1860.4158935546875	172.0
1865.5186767578125	172.0
1866.9114990234375	140.0
1868.74365234375	156.0
1869.4234619140625	156.0
1870.1033935546875	184.0
1872.901611328125	188.0
1876.7193603515625	152.0
1877.6419677734375	180.0
1880.6185302734375	152.0
1880.87744140625	160.0
1883.8048095703125	176.0
1883.8997802734375	160.0
1884.4527587890625	180.0
1884.927978515625	152.0
1885.325439453125	180.0
1885.7921142578125	140.0
1886.3453369140625	156.0
1887.841064453125	176.0
1890.617919921875	224.0
1890.8603515625	188.0
1892.8773193359375	200.0
1895.449951171875	148.0
1897.469482421875	164.0
1903.1263427734375	140.0
1903.3868408203125	156.0
1903.612548828125	200.0
1909.72216796875	192.0
1910.913818359375	176.0
1911.56640625	152.0
1914.700439453125	196.0
1916.12890625	148.0
1916.2335205078125	148.0
1916.526611328125	172.0
1918.900390625	140.0
1919.0311279296875	168.0
1921.2987060546875	256.0
1922.0751953125	172.0
1922.7733154296875	216.0
1923.2010498046875	148.0
1924.9295654296875	184.0
1925.1566162109375	152.0
1925.2265625	144.0
1925.3924560546875	196.0
1925.6282958984375	156.0
1934.2984619140625	180.0
1937.4281005859375	184.0
1938.2811279296875	224.0
1938.4708251953125	172.0
1939.250732421875	160.0
1939.452392578125	196.0
1942.7318115234375	192.0
1946.1458740234375	200.0
1946.4005126953125	160.0
1947.744140625	152.0
1948.0516357421875	164.0
1948.359130859375	216.0
1950.9251708984375	172.0
1952.006591796875	212.0
1952.2791748046875	160.0
1952.727783203125	148.0
1953.07958984375	180.0
1954.13525390625	152.0
1957.5943603515625	168.0
1958.2725830078125	212.0
1958.809814453125	208.0
1959.470947265625	160.0
1960.035400390625	104.0
1960.395751953125	196.0
1960.8275146484375	216.0
1963.1861572265625	160.0
1964.0986328125	164.0
1964.3896484375	160.0
1967.584228515625	156.0
1969.005859375	164.0
1969.28857421875	176.0
1969.553466796875	144.0
1970.83740234375	108.0
1971.19677734375	184.0
1974.025390625	176.0
1974.109619140625	220.0
1975.4759521484375	144.0
1977.3428955078125	168.0
1977.6260986328125	164.0
1978.0687255859375	180.0
1980.217041015625	140.0
1981.0706787109375	196.0
1983.2415771484375	156.0
1987.8798828125	140.0
1988.0662841796875	192.0
1992.9056396484375	148.0
1995.1630859375	164.0
1996.0877685546875	348.0
1999.058837890625	236.0
1999.3702392578125	180.0
2000.545166015625	140.0
2000.9725341796875	156.0
2001.0882568359375	160.0
2001.871826171875	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079164
PEPMASS=199.125931
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_A2_B11_BD8_01_15734.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="9-AMINO-1,2,3,4-TETRAHYDROACRIDINE HYDROCHLORIDE" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Nc1c2CCCCc2nc3ccccc13
INCHI=InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
INCHIAUX=YLJREFDVOIBQDA-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079164
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079164
SCANS=1028
46.02375411987305	200.0
46.31586837768555	176.0
46.44870376586914	156.0
46.543704986572266	180.0
46.72855758666992	180.0
46.84699630737305	156.0
47.71603012084961	148.0
48.74856185913086	164.0
50.22705841064453	140.0
51.77775955200195	140.0
52.032997131347656	148.0
52.152225494384766	144.0
52.574214935302734	156.0
52.62040328979492	156.0
52.96747970581055	184.0
53.79927062988281	152.0
53.93658447265625	192.0
54.246910095214844	180.0
54.2864990234375	180.0
54.857269287109375	196.0
55.12607192993164	268.0
55.16697311401367	188.0
56.49497985839844	180.0
56.74658203125	180.0
56.76457595825195	152.0
57.773712158203125	180.0
58.18896484375	168.0
59.293357849121094	204.0
59.32554626464844	160.0
60.034358978271484	144.0
60.29526138305664	148.0
60.358642578125	208.0
60.70643615722656	120.0
60.846702575683594	164.0
62.412269592285156	204.0
62.55543899536133	148.0
63.52253723144531	184.0
63.584415435791016	176.0
63.63362503051758	192.0
65.3164291381836	164.0
66.08433532714844	144.0
66.70220947265625	224.0
67.69090270996094	148.0
68.11239624023438	172.0
69.41622924804688	204.0
69.8131103515625	164.0
71.02062225341797	228.0
71.06423950195312	148.0
71.63920593261719	200.0
71.70997619628906	176.0
73.07315826416016	156.0
73.13782501220703	244.0
73.99649047851562	152.0
74.66398620605469	168.0
74.84294891357422	164.0
75.02729797363281	164.0
75.22051239013672	172.0
75.25849151611328	148.0
75.35694122314453	224.0
76.08456420898438	152.0
76.2962875366211	168.0
76.64960479736328	148.0
77.14876556396484	180.0
77.8320541381836	216.0
77.91284942626953	176.0
78.2874984741211	192.0
78.56951141357422	196.0
79.4186019897461	156.0
80.15282440185547	144.0
80.30078887939453	196.0
80.8438949584961	180.0
83.31777954101562	244.0
83.9329605102539	176.0
84.5705337524414	168.0
84.66939544677734	140.0
85.95622253417969	208.0
86.42740631103516	164.0
87.78526306152344	172.0
88.001708984375	140.0
88.8026351928711	224.0
89.81643676757812	144.0
91.24808502197266	172.0
92.6489028930664	148.0
93.35523223876953	176.0
93.50529479980469	196.0
94.85346984863281	156.0
95.18134307861328	216.0
95.5078353881836	176.0
96.21324920654297	140.0
96.93497467041016	144.0
97.07807159423828	144.0
97.25275421142578	104.0
98.50499725341797	172.0
99.30465698242188	176.0
99.36416625976562	168.0
99.92443084716797	184.0
100.11575317382812	328.0
100.66191101074219	140.0
101.11771392822266	172.0
101.59259796142578	156.0
101.99420928955078	140.0
102.1249008178711	176.0
103.03402709960938	148.0
103.92079162597656	172.0
104.88269805908203	168.0
106.2712631225586	144.0
106.68406677246094	156.0
106.90619659423828	204.0
107.3037338256836	164.0
109.00305938720703	160.0
109.51899719238281	204.0
110.66338348388672	140.0
110.75133514404297	144.0
111.68746948242188	144.0
111.70851135253906	176.0
111.94844055175781	212.0
113.94093322753906	216.0
114.80510711669922	268.0
115.01632690429688	168.0
116.0489273071289	140.0
116.52391815185547	164.0
117.06143188476562	140.0
117.51213836669922	156.0
118.04781341552734	148.0
118.60421752929688	180.0
118.6627426147461	144.0
118.70177459716797	232.0
118.8615951538086	228.0
118.97298431396484	140.0
119.9322738647461	184.0
120.03910064697266	144.0
120.96983337402344	208.0
121.24362182617188	144.0
121.44313049316406	144.0
122.0538101196289	152.0
122.4827880859375	144.0
122.73622131347656	176.0
122.79576873779297	256.0
122.82664489746094	164.0
122.98330688476562	152.0
123.10252380371094	144.0
123.59545135498047	212.0
123.90099334716797	172.0
125.39644622802734	140.0
125.65734100341797	168.0
125.74213409423828	196.0
125.87384796142578	272.0
126.04360961914062	148.0
126.23336791992188	148.0
126.29846954345703	176.0
126.43477630615234	104.0
127.05685424804688	116.0
127.28679656982422	172.0
128.051025390625	396.0
128.46839904785156	156.0
128.6150665283203	168.0
128.96304321289062	132.0
129.0510711669922	148.0
129.13473510742188	144.0
129.47195434570312	156.0
130.06201171875	472.0
130.19766235351562	188.0
130.55899047851562	188.0
130.59765625	192.0
130.6636199951172	192.0
131.07118225097656	188.0
131.8721923828125	232.0
132.6595916748047	216.0
133.08172607421875	144.0
133.91416931152344	152.0
134.50674438476562	204.0
134.93411254882812	180.0
135.93008422851562	200.0
137.1976776123047	148.0
137.53590393066406	140.0
138.62576293945312	148.0
140.0539093017578	400.0
140.70738220214844	164.0
141.05007934570312	116.0
141.93060302734375	172.0
142.05845642089844	304.0
142.12478637695312	384.0
142.1891632080078	140.0
142.31973266601562	164.0
142.4764862060547	180.0
142.72366333007812	144.0
143.07110595703125	552.0
143.1067352294922	208.0
143.3115692138672	148.0
143.5570831298828	140.0
143.91976928710938	164.0
144.04920959472656	160.0
144.08102416992188	5276.0
144.89559936523438	176.0
144.99623107910156	216.0
145.08486938476562	884.0
145.82423400878906	176.0
145.8458709716797	168.0
146.09835815429688	148.0
146.12240600585938	152.0
146.55819702148438	196.0
146.84506225585938	216.0
147.07186889648438	164.0
147.72427368164062	156.0
148.1648712158203	248.0
148.51666259765625	192.0
149.0237274169922	184.0
149.25462341308594	144.0
151.04714965820312	172.0
151.41673278808594	200.0
151.50865173339844	228.0
152.26039123535156	276.0
152.43479919433594	140.0
152.59457397460938	160.0
152.6953887939453	224.0
152.75442504882812	236.0
153.0620574951172	196.0
153.23939514160156	160.0
153.9571990966797	172.0
154.06568908691406	116.0
154.65191650390625	180.0
155.05787658691406	136.0
155.0878448486328	220.0
155.3010711669922	204.0
156.06729125976562	840.0
156.18032836914062	220.0
157.08047485351562	1160.0
157.51136779785156	240.0
157.73126220703125	168.0
158.0849151611328	2092.0
159.09288024902344	308.0
159.1490936279297	976.0
159.96124267578125	140.0
160.10476684570312	148.0
160.99244689941406	164.0
161.04043579101562	140.0
161.17433166503906	140.0
161.48526000976562	152.0
162.96568298339844	196.0
163.0952911376953	176.0
163.39535522460938	140.0
163.680419921875	192.0
163.95298767089844	160.0
164.9023895263672	220.0
166.06922912597656	312.0
166.0955352783203	168.0
166.375244140625	160.0
166.4240264892578	156.0
166.44647216796875	184.0
166.5164794921875	160.0
166.80166625976562	224.0
166.87850952148438	132.0
167.0724639892578	584.0
167.1514434814453	228.0
167.59689331054688	180.0
167.91912841796875	172.0
167.97845458984375	200.0
168.07040405273438	416.0
168.87733459472656	200.0
169.0750274658203	468.0
169.7662353515625	140.0
170.08432006835938	424.0
170.2872772216797	220.0
170.8383331298828	160.0
170.94239807128906	192.0
170.9910125732422	176.0
171.09246826171875	27800.0
171.32252502441406	140.0
172.09463500976562	2528.0
172.17283630371094	144.0
172.48114013671875	196.0
173.10169982910156	204.0
173.12855529785156	128.0
173.2047882080078	100.0
173.25047302246094	156.0
174.2973175048828	176.0
174.32884216308594	148.0
174.9811553955078	176.0
175.05752563476562	144.0
175.08912658691406	180.0
175.4000244140625	184.0
176.70191955566406	148.0
177.02220153808594	164.0
178.6119384765625	228.0
179.98977661132812	148.0
180.0806121826172	444.0
180.2435302734375	228.0
180.98443603515625	144.0
181.08047485351562	264.0
182.0836181640625	1544.0
182.95895385742188	156.0
183.03472900390625	144.0
183.092529296875	2256.0
183.1501007080078	164.0
183.71234130859375	232.0
184.02703857421875	172.0
184.10101318359375	872.0
184.14691162109375	200.0
184.1982421875	168.0
185.1046600341797	304.0
185.18008422851562	144.0
185.71401977539062	148.0
188.62203979492188	144.0
188.7231903076172	140.0
189.17185974121094	252.0
189.31971740722656	140.0
191.39292907714844	164.0
192.49313354492188	204.0
193.98715209960938	152.0
195.09085083007812	632.0
195.70126342773438	148.0
196.09628295898438	160.0
196.79701232910156	152.0
197.10813903808594	5132.0
197.15736389160156	208.0
197.57957458496094	216.0
197.95462036132812	192.0
198.11146545410156	1132.0
198.2371063232422	156.0
198.3048095703125	200.0
198.51507568359375	140.0
198.58238220214844	168.0
198.65530395507812	220.0
198.6973876953125	144.0
198.73194885253906	176.0
198.9303741455078	192.0
198.9719696044922	128.0
199.02696228027344	176.0
199.0558624267578	272.0
199.0909881591797	240.0
199.12405395507812	236656.0
199.21282958984375	236.0
199.22987365722656	352.0
199.2739715576172	336.0
199.32366943359375	100.0
199.3504180908203	212.0
199.46376037597656	124.0
199.5021209716797	104.0
199.53524780273438	152.0
199.58587646484375	960.0
199.69781494140625	168.0
199.8494873046875	112.0
199.89613342285156	144.0
200.0170440673828	104.0
200.08184814453125	128.0
200.1262969970703	28820.0
200.31954956054688	120.0
200.45651245117188	124.0
200.51792907714844	168.0
200.64859008789062	100.0
200.81146240234375	144.0
200.8852996826172	104.0
200.96505737304688	144.0
201.0769805908203	204.0
201.1301727294922	1764.0
201.489990234375	144.0
201.54798889160156	272.0
201.6000213623047	112.0
201.62554931640625	168.0
201.7169952392578	140.0
201.82118225097656	136.0
202.13217163085938	136.0
202.5157012939453	128.0
202.6988067626953	96.0
207.69033813476562	156.0
232.98367309570312	140.0
414.8177795410156	140.0
740.0673217773438	148.0
1230.530517578125	224.0
1248.2294921875	172.0
1350.003662109375	144.0
1392.5726318359375	168.0
1449.780517578125	212.0
1506.54052734375	156.0
1538.3018798828125	168.0
1563.4615478515625	260.0
1684.6337890625	148.0
1684.985107421875	168.0
1685.9573974609375	156.0
1719.250244140625	152.0
1743.3736572265625	220.0
1752.91845703125	140.0
1755.7362060546875	144.0
1767.33056640625	168.0
1771.1312255859375	172.0
1784.037109375	160.0
1797.5718994140625	168.0
1800.7462158203125	176.0
1804.2105712890625	140.0
1815.43798828125	200.0
1827.8826904296875	160.0
1830.6236572265625	172.0
1837.340087890625	152.0
1839.2430419921875	144.0
1846.66796875	172.0
1852.7369384765625	180.0
1865.927490234375	204.0
1882.6435546875	208.0
1900.319091796875	176.0
1913.1988525390625	140.0
1923.328125	216.0
1925.4759521484375	168.0
1925.8165283203125	160.0
1946.8707275390625	224.0
1954.1400146484375	140.0
1959.9599609375	172.0
1990.31689453125	192.0
1990.6099853515625	324.0
1999.5887451171875	156.0
2002.1527099609375	140.0
2003.0968017578125	156.0
2003.23046875	196.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079165
PEPMASS=338.218964
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=LOBELINE HYDROCHLORIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c3ccccc3
INCHI=InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1
INCHIAUX=MXYUKLILVYORSK-HBMCJLEFSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079165
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079165
SCANS=1157
44.896697998046875	204.0
45.29499435424805	172.0
45.36646270751953	132.0
45.49480056762695	156.0
45.901126861572266	196.0
46.003665924072266	160.0
46.10554504394531	124.0
46.27676010131836	152.0
46.371585845947266	176.0
46.447513580322266	168.0
46.49907302856445	240.0
46.60771179199219	216.0
46.666160583496094	160.0
46.75865936279297	188.0
47.00532150268555	200.0
47.05309295654297	212.0
47.148860931396484	148.0
47.20612716674805	148.0
47.489620208740234	184.0
47.70245361328125	180.0
47.845523834228516	156.0
48.02880096435547	192.0
48.13368606567383	164.0
48.51416778564453	148.0
48.720947265625	148.0
48.79469299316406	128.0
48.89336395263672	156.0
49.44743347167969	156.0
49.55665969848633	140.0
49.618324279785156	144.0
49.681434631347656	240.0
49.76704788208008	148.0
49.779685974121094	140.0
49.98773193359375	144.0
50.066566467285156	140.0
50.16783905029297	128.0
50.33308792114258	184.0
50.46590805053711	164.0
50.58049774169922	212.0
50.71506118774414	204.0
50.88103103637695	164.0
50.8938102722168	176.0
50.9761962890625	164.0
51.17533493041992	164.0
51.229454040527344	176.0
51.263648986816406	212.0
51.28502655029297	164.0
51.29642868041992	148.0
51.55762481689453	244.0
51.68060302734375	168.0
51.787967681884766	172.0
51.902618408203125	160.0
51.928428649902344	172.0
52.05902862548828	168.0
52.72170639038086	168.0
52.895267486572266	160.0
53.12422561645508	252.0
53.185791015625	196.0
53.20404052734375	224.0
53.30426025390625	148.0
53.34640884399414	160.0
53.36077117919922	168.0
53.4905891418457	208.0
53.80610275268555	188.0
53.955780029296875	188.0
54.01573944091797	140.0
54.10207748413086	172.0
54.41141128540039	160.0
54.825138092041016	204.0
54.855690002441406	152.0
55.050445556640625	140.0
55.12430953979492	152.0
55.1597785949707	204.0
55.19230270385742	140.0
55.3379020690918	288.0
55.47508239746094	156.0
55.516597747802734	180.0
55.53398895263672	244.0
55.564064025878906	200.0
55.6308479309082	184.0
55.71995162963867	172.0
55.91474533081055	152.0
56.11435317993164	156.0
56.225242614746094	200.0
56.36361312866211	164.0
56.6785888671875	128.0
56.71380615234375	152.0
56.78127670288086	124.0
56.87880325317383	212.0
56.96703338623047	164.0
57.03050994873047	192.0
57.384273529052734	224.0
57.41292190551758	176.0
57.510990142822266	152.0
57.66504669189453	244.0
57.79358673095703	280.0
58.071964263916016	216.0
58.099632263183594	140.0
58.14970779418945	160.0
58.19069290161133	212.0
58.26966857910156	180.0
58.281822204589844	192.0
58.32437515258789	144.0
58.45147705078125	188.0
58.566307067871094	160.0
59.48683547973633	140.0
59.622032165527344	168.0
60.01144790649414	148.0
60.02772903442383	164.0
60.11479187011719	192.0
60.40061569213867	172.0
60.48346710205078	152.0
60.659210205078125	148.0
60.8189811706543	192.0
61.07224655151367	144.0
61.086246490478516	172.0
61.21075439453125	184.0
61.34550094604492	132.0
61.50697326660156	180.0
61.97300720214844	184.0
62.0607795715332	160.0
62.472259521484375	172.0
62.62950897216797	156.0
62.92771911621094	260.0
62.98141098022461	160.0
63.06560134887695	184.0
63.11890411376953	204.0
63.499732971191406	148.0
63.56084060668945	160.0
63.65925979614258	148.0
63.675140380859375	148.0
63.89291000366211	212.0
64.1190185546875	172.0
64.2194595336914	168.0
64.51673126220703	148.0
64.5308609008789	164.0
65.02571105957031	96.0
65.18965148925781	236.0
65.3737564086914	148.0
65.42073822021484	160.0
65.50499725341797	152.0
65.54340362548828	148.0
65.57389831542969	152.0
65.76782989501953	244.0
66.1185531616211	176.0
66.13959503173828	148.0
66.38909912109375	160.0
66.46136474609375	160.0
67.0132827758789	148.0
67.16807556152344	160.0
67.33627319335938	172.0
67.37985229492188	188.0
67.60275268554688	156.0
67.68885040283203	124.0
68.11592864990234	140.0
68.14714050292969	148.0
68.21123504638672	144.0
68.23260498046875	168.0
68.31726837158203	100.0
68.3905258178711	160.0
68.4514389038086	164.0
68.51493072509766	160.0
68.59971618652344	140.0
68.64258575439453	192.0
68.72176361083984	176.0
68.87859344482422	172.0
69.13320922851562	168.0
69.19491577148438	152.0
69.36235046386719	204.0
69.52596282958984	160.0
69.76953887939453	128.0
69.81835174560547	164.0
69.9156723022461	192.0
70.01243591308594	360.0
70.03138732910156	248.0
70.42501068115234	160.0
70.45173645019531	140.0
70.62617492675781	136.0
70.97560119628906	144.0
71.07791900634766	164.0
71.09637451171875	188.0
71.1937484741211	200.0
71.215576171875	268.0
71.26933288574219	152.0
71.4425048828125	184.0
71.4593276977539	152.0
71.69844055175781	188.0
71.71360778808594	196.0
71.94976806640625	160.0
72.06291961669922	236.0
72.0764389038086	152.0
72.26073455810547	196.0
72.32504272460938	144.0
72.3758316040039	156.0
72.6877212524414	180.0
72.96456909179688	148.0
73.4396743774414	224.0
73.75212860107422	148.0
73.8360366821289	164.0
73.87353515625	188.0
73.8906478881836	140.0
73.93170928955078	156.0
74.45150756835938	136.0
75.14342498779297	160.0
75.33647918701172	176.0
75.44346618652344	224.0
75.49790954589844	192.0
75.67025756835938	164.0
75.85909271240234	144.0
76.00130462646484	168.0
76.09676361083984	144.0
76.1210708618164	176.0
76.50531768798828	176.0
76.62200164794922	140.0
77.06515502929688	196.0
77.63580322265625	140.0
78.06956481933594	168.0
78.66861724853516	200.0
78.8063735961914	148.0
78.92125701904297	156.0
78.99546813964844	104.0
79.21504211425781	164.0
79.33914947509766	124.0
79.37632751464844	164.0
79.72332763671875	168.0
79.75980377197266	204.0
79.78646850585938	168.0
79.91807556152344	148.0
79.96078491210938	176.0
80.0373306274414	164.0
80.0747299194336	148.0
80.20479583740234	140.0
80.32413482666016	276.0
80.38314056396484	156.0
80.46908569335938	132.0
80.99636840820312	260.0
81.2706527709961	152.0
81.35859680175781	164.0
81.64249420166016	164.0
81.99105834960938	176.0
82.01697540283203	148.0
82.1158447265625	144.0
82.17928314208984	184.0
82.41761779785156	232.0
82.71964263916016	152.0
82.78482055664062	176.0
82.79774475097656	144.0
83.034912109375	148.0
83.35260009765625	188.0
83.54168701171875	148.0
83.66907501220703	144.0
83.86398315429688	180.0
83.89679718017578	192.0
84.04634857177734	148.0
84.09744262695312	156.0
84.21726989746094	96.0
84.2526626586914	160.0
84.49031829833984	176.0
84.79428100585938	196.0
84.85843658447266	140.0
85.03270721435547	100.0
85.18510437011719	192.0
85.30748748779297	168.0
85.32904052734375	136.0
85.44799041748047	160.0
85.62281036376953	140.0
85.73155212402344	148.0
85.77763366699219	164.0
85.99789428710938	184.0
86.41846466064453	236.0
86.59617614746094	188.0
86.69992065429688	308.0
86.99911499023438	248.0
87.04432678222656	184.0
87.1762924194336	172.0
87.22332000732422	180.0
87.26979064941406	220.0
87.40744018554688	276.0
87.4267807006836	160.0
87.44651794433594	148.0
87.47443389892578	180.0
87.53215026855469	156.0
87.54705047607422	260.0
87.73150634765625	144.0
87.9161605834961	164.0
87.98522186279297	168.0
88.3084945678711	176.0
88.32533264160156	164.0
88.46669006347656	124.0
88.5780258178711	192.0
88.63048553466797	192.0
88.8511734008789	204.0
89.07908630371094	176.0
89.12251281738281	144.0
89.43049621582031	180.0
89.5077896118164	136.0
89.6225814819336	160.0
89.64896392822266	152.0
89.67723083496094	176.0
89.75373077392578	200.0
89.83676147460938	192.0
89.86014556884766	156.0
90.02864074707031	240.0
90.1169204711914	148.0
90.1773910522461	156.0
90.32298278808594	188.0
90.3494644165039	192.0
90.44568634033203	184.0
90.58977508544922	140.0
90.63725280761719	148.0
90.76045227050781	180.0
91.05525970458984	588.0
91.07548522949219	164.0
91.25981903076172	160.0
91.42530822753906	172.0
91.60371398925781	200.0
91.98184204101562	228.0
92.05679321289062	172.0
92.21868896484375	188.0
92.24545288085938	140.0
92.39461517333984	148.0
92.72013092041016	184.0
92.80831146240234	188.0
92.97135925292969	192.0
93.05810546875	160.0
93.09037780761719	192.0
93.54412078857422	168.0
94.03092193603516	208.0
94.06513977050781	3844.0
94.14476013183594	176.0
94.2287368774414	192.0
94.25385284423828	160.0
94.27897644042969	144.0
94.35242462158203	268.0
94.50869750976562	200.0
95.03804779052734	184.0
95.06913757324219	544.0
95.11567687988281	220.0
95.21858215332031	192.0
95.27571105957031	164.0
95.39928436279297	144.0
95.42039489746094	172.0
95.46733093261719	180.0
95.58404541015625	160.0
95.64826965332031	208.0
95.6657943725586	144.0
95.78579711914062	156.0
95.83743286132812	152.0
95.86945343017578	156.0
95.90733337402344	168.0
95.99701690673828	228.0
96.03490447998047	356.0
96.0625228881836	340.0
96.08171844482422	55568.0
96.22089385986328	232.0
96.2620620727539	228.0
96.28323364257812	216.0
96.30303955078125	96.0
96.40324401855469	104.0
96.56172943115234	192.0
96.58292388916016	196.0
96.61617279052734	164.0
96.63231658935547	112.0
96.6617431640625	220.0
96.68324279785156	116.0
96.91446685791016	152.0
96.99347686767578	160.0
97.0588150024414	140.0
97.08445739746094	4376.0
97.1196060180664	144.0
97.41796875	160.0
97.45137023925781	160.0
97.54875946044922	144.0
97.58108520507812	232.0
97.62064361572266	136.0
97.6854476928711	136.0
97.73252868652344	240.0
97.7533187866211	128.0
97.78815460205078	120.0
97.80509948730469	128.0
97.83094024658203	176.0
98.05548858642578	192.0
98.09712219238281	26236.0
98.3355484008789	184.0
98.4540023803711	184.0
98.48847961425781	104.0
98.74492645263672	192.0
98.86915588378906	156.0
98.97209167480469	160.0
99.10003662109375	916.0
99.21776580810547	140.0
99.65725708007812	136.0
99.77513122558594	112.0
99.81141662597656	140.0
100.11189270019531	140.0
100.31910705566406	144.0
100.41570281982422	176.0
100.47066497802734	172.0
100.51497650146484	116.0
100.56046295166016	164.0
100.6423110961914	152.0
100.92821502685547	136.0
101.21817016601562	140.0
101.25621795654297	192.0
101.28453826904297	252.0
101.35189056396484	164.0
101.69931030273438	160.0
101.83055877685547	172.0
102.5007553100586	148.0
102.94551849365234	228.0
103.05738830566406	168.0
103.73255920410156	156.0
103.9861068725586	144.0
104.04293823242188	148.0
104.3913345336914	136.0
104.45343017578125	212.0
104.51039123535156	160.0
104.80563354492188	156.0
104.9244613647461	132.0
104.98908996582031	184.0
105.03376007080078	15728.0
105.0692138671875	260.0
105.08953094482422	240.0
105.32780456542969	96.0
105.43215942382812	128.0
105.49749755859375	152.0
105.51589965820312	196.0
105.75318908691406	156.0
105.87042999267578	176.0
106.03717041015625	1320.0
106.24873352050781	192.0
106.79242706298828	172.0
106.8880615234375	124.0
107.05013275146484	1512.0
107.38207244873047	120.0
107.60740661621094	256.0
107.64250946044922	172.0
108.05382537841797	400.0
108.08047485351562	976.0
108.20490264892578	152.0
108.39960479736328	156.0
108.4420166015625	96.0
108.59447479248047	156.0
108.81831359863281	148.0
109.08836364746094	1244.0
109.38821411132812	144.0
109.98019409179688	308.0
110.00732421875	148.0
110.09412384033203	740.0
110.46287536621094	144.0
110.89915466308594	144.0
111.02584075927734	280.0
111.0430679321289	160.0
111.11858367919922	192.0
111.65937805175781	160.0
112.1131591796875	344.0
112.27338409423828	284.0
112.39784240722656	216.0
112.54981994628906	160.0
112.74626922607422	164.0
113.2413330078125	144.0
113.44050598144531	248.0
113.591064453125	160.0
113.61949920654297	188.0
113.7884292602539	144.0
113.93921661376953	228.0
114.04650115966797	172.0
114.09162902832031	2944.0
114.12199401855469	168.0
114.13687896728516	164.0
114.1833724975586	176.0
114.22129821777344	144.0
114.56253814697266	164.0
114.9854965209961	176.0
115.05198669433594	460.0
115.09063720703125	320.0
115.223876953125	176.0
115.31790161132812	212.0
115.34568786621094	156.0
115.6001968383789	232.0
115.705078125	156.0
115.79072570800781	172.0
116.05858612060547	152.0
116.1229248046875	140.0
116.22925567626953	120.0
116.53507995605469	176.0
116.69627380371094	160.0
116.7921371459961	152.0
117.0249252319336	144.0
117.06949615478516	872.0
117.10514068603516	180.0
117.56218719482422	200.0
117.69386291503906	196.0
117.93528747558594	164.0
118.0647964477539	164.0
118.21263885498047	144.0
118.62197875976562	160.0
118.81394958496094	132.0
119.56245422363281	160.0
119.66475677490234	176.0
119.74968719482422	168.0
119.86514282226562	168.0
120.0810317993164	156.0
120.15949249267578	168.0
120.19876861572266	232.0
120.22058868408203	152.0
120.25332641601562	140.0
120.27033233642578	192.0
120.3166275024414	180.0
120.53067016601562	164.0
120.54814910888672	204.0
120.8105239868164	148.0
121.14326477050781	160.0
121.18119812011719	140.0
121.2572021484375	148.0
121.5093765258789	144.0
121.77278900146484	152.0
122.1742172241211	128.0
122.22124481201172	240.0
122.71424865722656	168.0
122.80062103271484	148.0
122.85576629638672	160.0
122.89414978027344	160.0
123.2310791015625	156.0
123.3548355102539	196.0
123.60696411132812	168.0
123.78231048583984	148.0
123.84636688232422	144.0
123.9922866821289	140.0
124.13774871826172	156.0
124.25615692138672	160.0
124.42759704589844	192.0
124.88035583496094	172.0
124.91817474365234	220.0
125.16616821289062	112.0
125.26537322998047	152.0
125.50166320800781	184.0
125.76713562011719	140.0
125.98150634765625	144.0
126.07087707519531	164.0
126.34813690185547	188.0
126.62345886230469	144.0
126.666015625	152.0
126.71753692626953	196.0
126.7662582397461	156.0
127.05943298339844	132.0
127.15480041503906	256.0
127.46920013427734	144.0
127.71199798583984	172.0
128.06202697753906	2792.0
128.09725952148438	176.0
128.53880310058594	148.0
129.0690460205078	1168.0
129.20758056640625	144.0
129.9381103515625	136.0
130.0430145263672	164.0
130.0755157470703	204.0
130.37759399414062	168.0
130.42532348632812	172.0
130.69139099121094	144.0
130.71188354492188	172.0
130.8484344482422	148.0
130.87803649902344	200.0
130.97140502929688	160.0
131.05528259277344	176.0
131.08499145507812	992.0
131.51541137695312	192.0
131.99610900878906	176.0
132.08804321289062	164.0
132.11732482910156	172.0
132.18597412109375	172.0
132.31643676757812	160.0
132.6531982421875	184.0
132.79534912109375	212.0
132.96258544921875	188.0
133.06243896484375	484.0
133.12615966796875	112.0
133.6936492919922	156.0
134.06918334960938	164.0
134.09788513183594	220.0
134.57879638671875	168.0
134.78436279296875	196.0
134.9091796875	188.0
134.9322967529297	140.0
134.98220825195312	136.0
135.03402709960938	172.0
135.0548553466797	248.0
135.5335235595703	192.0
135.8077392578125	152.0
136.0763397216797	144.0
136.21148681640625	184.0
136.2681121826172	204.0
136.50918579101562	132.0
136.67645263671875	148.0
136.79283142089844	172.0
137.45938110351562	144.0
137.59352111816406	184.0
137.78042602539062	116.0
137.80963134765625	164.0
137.94517517089844	144.0
138.19775390625	180.0
138.33583068847656	152.0
138.7575225830078	140.0
140.42236328125	192.0
140.46481323242188	184.0
140.6007537841797	144.0
140.958251953125	224.0
141.07086181640625	888.0
141.21356201171875	240.0
141.51336669921875	152.0
141.5685577392578	164.0
142.07501220703125	352.0
142.12086486816406	152.0
142.5117950439453	112.0
142.53163146972656	148.0
142.83802795410156	164.0
142.9715576171875	164.0
143.04415893554688	128.0
143.08604431152344	8944.0
143.55044555664062	200.0
143.8415069580078	152.0
143.88343811035156	140.0
143.91790771484375	180.0
144.01580810546875	160.0
144.05880737304688	164.0
144.08929443359375	2204.0
144.36952209472656	148.0
144.86390686035156	124.0
145.06497192382812	180.0
145.1011199951172	168.0
145.1763916015625	188.0
145.315673828125	172.0
145.4116668701172	140.0
145.49087524414062	140.0
145.71974182128906	188.0
145.843994140625	160.0
145.93052673339844	180.0
146.00604248046875	152.0
146.02430725097656	152.0
146.06039428710938	144.0
146.09486389160156	124.0
146.18789672851562	140.0
146.31787109375	140.0
146.98309326171875	176.0
147.00241088867188	216.0
147.38821411132812	152.0
148.10997009277344	456.0
148.22061157226562	112.0
148.41018676757812	144.0
148.6479034423828	144.0
149.20567321777344	152.0
149.33297729492188	148.0
149.44488525390625	148.0
149.57142639160156	172.0
149.70777893066406	188.0
150.41970825195312	144.0
150.7762908935547	260.0
151.0232391357422	184.0
151.05258178710938	172.0
151.0758819580078	96.0
151.21827697753906	156.0
151.28994750976562	180.0
151.33741760253906	152.0
151.46380615234375	192.0
151.83145141601562	180.0
151.86334228515625	212.0
151.92466735839844	152.0
151.94918823242188	156.0
152.1185302734375	260.0
152.17880249023438	136.0
152.60992431640625	212.0
152.6369171142578	152.0
152.6864471435547	140.0
153.06980895996094	164.0
153.2174530029297	152.0
153.93463134765625	188.0
154.07542419433594	156.0
154.4580841064453	128.0
155.06736755371094	108.0
155.0879669189453	328.0
155.17019653320312	152.0
155.42318725585938	184.0
155.50355529785156	132.0
155.6093292236328	148.0
155.7608184814453	156.0
155.8651580810547	248.0
155.99440002441406	224.0
156.21055603027344	196.0
156.40980529785156	176.0
156.4720458984375	236.0
156.56666564941406	204.0
157.1031951904297	436.0
157.169921875	176.0
157.24227905273438	140.0
157.55690002441406	160.0
157.5793914794922	160.0
157.7343292236328	144.0
157.75682067871094	156.0
158.064453125	152.0
158.09849548339844	296.0
158.2496795654297	172.0
158.86619567871094	188.0
159.08079528808594	1544.0
159.12277221679688	164.0
159.6297149658203	172.0
159.8359832763672	156.0
160.08457946777344	296.0
160.13555908203125	164.0
160.40264892578125	224.0
160.4278564453125	188.0
160.48583984375	144.0
160.8496551513672	168.0
160.87184143066406	140.0
161.09210205078125	264.0
161.1622772216797	156.0
161.2978973388672	216.0
161.57943725585938	196.0
161.74746704101562	160.0
161.9287567138672	192.0
161.96168518066406	168.0
162.08724975585938	144.0
162.12989807128906	172.0
162.19732666015625	148.0
162.39511108398438	188.0
162.57269287109375	168.0
162.63584899902344	140.0
162.703369140625	188.0
162.8087921142578	204.0
163.31454467773438	192.0
163.4014434814453	200.0
163.43666076660156	148.0
163.70138549804688	140.0
163.87203979492188	204.0
164.31056213378906	148.0
164.75477600097656	232.0
165.0690155029297	160.0
165.197021484375	160.0
165.30572509765625	140.0
165.96278381347656	180.0
166.23980712890625	164.0
166.38868713378906	204.0
166.41297912597656	192.0
166.96424865722656	156.0
167.0829315185547	692.0
167.11187744140625	216.0
167.52536010742188	140.0
168.08851623535156	160.0
168.67367553710938	148.0
168.87017822265625	192.0
168.9374237060547	148.0
169.07115173339844	328.0
169.10067749023438	480.0
169.20559692382812	240.0
169.62547302246094	120.0
169.6609649658203	132.0
170.09906005859375	288.0
170.1658477783203	144.0
170.50042724609375	188.0
170.66468811035156	152.0
170.720458984375	180.0
171.11349487304688	144.0
171.58114624023438	144.0
171.78369140625	144.0
171.964599609375	164.0
172.1180419921875	144.0
172.2569580078125	140.0
172.4736328125	220.0
172.58372497558594	252.0
173.0572967529297	152.0
173.3716278076172	176.0
173.85415649414062	152.0
173.88827514648438	152.0
174.0063934326172	184.0
174.0939483642578	108.0
174.1275634765625	788.0
174.97389221191406	224.0
175.11764526367188	256.0
175.15032958984375	164.0
175.3584747314453	288.0
175.60894775390625	144.0
175.78648376464844	144.0
175.83848571777344	184.0
175.99960327148438	108.0
176.0206298828125	180.0
176.10267639160156	184.0
176.79135131835938	144.0
177.22679138183594	168.0
177.4325714111328	248.0
177.5767059326172	156.0
177.74525451660156	96.0
177.8446807861328	196.0
178.39718627929688	144.0
178.5992889404297	148.0
178.87335205078125	156.0
178.907958984375	156.0
179.2142333984375	172.0
179.43426513671875	136.0
179.51010131835938	204.0
179.5596923828125	276.0
179.80995178222656	140.0
179.88095092773438	160.0
180.0400848388672	120.0
180.70516967773438	108.0
181.0948028564453	132.0
181.4720916748047	100.0
181.4985809326172	128.0
181.73826599121094	148.0
181.83218383789062	172.0
181.8831787109375	164.0
182.57366943359375	140.0
182.6893310546875	152.0
182.76431274414062	188.0
183.00958251953125	448.0
183.11033630371094	136.0
183.2896728515625	156.0
183.51072692871094	168.0
183.86036682128906	156.0
183.98826599121094	156.0
184.01795959472656	172.0
184.11627197265625	148.0
184.70623779296875	168.0
185.09657287597656	620.0
185.29180908203125	168.0
185.40560913085938	160.0
185.44195556640625	204.0
185.658935546875	216.0
186.1107635498047	120.0
186.1285858154297	128.0
186.284912109375	152.0
186.34446716308594	220.0
186.43414306640625	200.0
186.5859375	184.0
186.69004821777344	176.0
186.7440643310547	164.0
187.1114501953125	664.0
187.33201599121094	172.0
187.4265899658203	120.0
187.4996795654297	144.0
187.66177368164062	156.0
188.10757446289062	1904.0
188.14320373535156	180.0
188.1706085205078	208.0
188.6063232421875	140.0
188.8168487548828	140.0
188.86061096191406	240.0
189.1105499267578	316.0
189.24920654296875	228.0
189.2820587158203	188.0
189.6038055419922	136.0
189.64915466308594	140.0
190.11538696289062	184.0
190.32676696777344	156.0
190.51351928710938	228.0
190.89280700683594	160.0
191.8096160888672	180.0
192.0164031982422	144.0
192.59324645996094	188.0
192.77835083007812	184.0
192.98565673828125	164.0
193.12393188476562	164.0
193.25173950195312	292.0
193.39784240722656	212.0
193.5334930419922	172.0
193.87696838378906	460.0
194.45651245117188	124.0
194.64259338378906	196.0
194.74256896972656	156.0
194.8439178466797	124.0
195.18055725097656	148.0
195.27064514160156	176.0
195.3419647216797	112.0
195.47621154785156	168.0
195.83006286621094	148.0
196.1086883544922	208.0
196.5744171142578	112.0
197.61944580078125	168.0
197.9581298828125	148.0
198.00717163085938	120.0
198.09536743164062	168.0
198.1292266845703	624.0
198.1934356689453	156.0
198.8826446533203	168.0
198.98155212402344	160.0
199.19442749023438	160.0
199.27645874023438	168.0
199.29893493652344	144.0
199.84844970703125	164.0
199.94332885742188	180.0
200.01324462890625	180.0
200.144287109375	34128.0
200.3304443359375	136.0
200.36473083496094	124.0
200.69439697265625	148.0
200.80044555664062	136.0
201.1472930908203	4072.0
201.2554168701172	136.0
201.7803497314453	116.0
202.12831115722656	308.0
202.14849853515625	432.0
202.60720825195312	96.0
202.7332305908203	140.0
202.9698944091797	124.0
203.626708984375	176.0
203.73748779296875	164.0
204.2975311279297	140.0
204.6361846923828	184.0
204.9694366455078	104.0
205.56915283203125	152.0
206.2108154296875	196.0
206.38519287109375	184.0
206.47828674316406	172.0
206.5396270751953	200.0
206.6368865966797	164.0
206.66836547851562	152.0
206.76565551757812	144.0
206.84024047851562	132.0
206.88587951660156	160.0
207.06375122070312	100.0
207.23995971679688	244.0
207.6853485107422	144.0
208.61532592773438	152.0
208.7810821533203	100.0
208.93203735351562	184.0
209.0097198486328	140.0
209.0384979248047	152.0
209.10336303710938	156.0
209.1334686279297	144.0
209.32650756835938	144.0
209.56036376953125	132.0
210.08436584472656	184.0
210.3354034423828	140.0
210.36549377441406	208.0
210.74549865722656	384.0
211.21343994140625	152.0
211.41835021972656	152.0
211.46844482421875	144.0
211.70584106445312	140.0
211.75216674804688	204.0
211.83038330078125	204.0
211.96461486816406	128.0
212.0737762451172	168.0
212.41482543945312	180.0
212.67706298828125	144.0
212.80479431152344	148.0
213.33303833007812	140.0
213.38548278808594	152.0
213.5836181640625	164.0
213.61166381835938	168.0
214.35646057128906	144.0
214.4046630859375	168.0
214.43963623046875	184.0
214.48121643066406	164.0
214.70494079589844	144.0
214.87347412109375	164.0
215.15721130371094	352.0
215.2879638671875	260.0
215.376220703125	156.0
215.4940948486328	136.0
215.6536407470703	152.0
215.93020629882812	136.0
215.9687042236328	132.0
216.07275390625	160.0
216.1394805908203	91396.0
216.2157440185547	360.0
216.3046417236328	124.0
216.42599487304688	116.0
216.46299743652344	264.0
216.53697204589844	148.0
216.58352661132812	184.0
216.61862182617188	184.0
216.65235900878906	136.0
216.70240783691406	152.0
216.7684783935547	136.0
216.86257934570312	244.0
216.92283630371094	172.0
217.02967834472656	188.0
217.14212036132812	12588.0
217.2467041015625	104.0
217.4110107421875	168.0
217.52548217773438	156.0
217.5511016845703	132.0
217.64105224609375	112.0
217.66310119628906	204.0
217.7667236328125	312.0
217.79637145996094	140.0
217.82608032226562	168.0
217.9180908203125	144.0
217.9439697265625	144.0
217.9788818359375	292.0
218.021240234375	196.0
218.08790588378906	344.0
218.15545654296875	124680.0
218.2584228515625	216.0
218.29885864257812	156.0
218.34181213378906	128.0
218.3645782470703	104.0
218.39866638183594	232.0
218.4249725341797	152.0
218.4567413330078	180.0
218.51239013671875	184.0
218.58836364746094	140.0
218.6378936767578	476.0
218.67584228515625	152.0
218.71209716796875	100.0
218.71971130371094	128.0
218.80618286132812	212.0
218.8711700439453	128.0
218.95416259765625	160.0
218.9853515625	104.0
219.15769958496094	18428.0
219.64930725097656	176.0
219.70045471191406	204.0
219.89801025390625	96.0
220.16065979003906	1008.0
220.32769775390625	120.0
220.35780334472656	100.0
220.38795471191406	244.0
220.51388549804688	324.0
220.57281494140625	248.0
220.65589904785156	236.0
220.68251037597656	212.0
220.72239685058594	184.0
220.80711364746094	100.0
220.8193817138672	96.0
220.89849853515625	172.0
220.9628143310547	160.0
221.3412322998047	112.0
221.37306213378906	156.0
221.399169921875	124.0
221.44265747070312	128.0
221.48794555664062	128.0
221.5264892578125	160.0
221.7592315673828	140.0
221.85874938964844	96.0
222.08798217773438	140.0
222.3988494873047	148.0
222.6898193359375	188.0
222.84130859375	144.0
223.27462768554688	160.0
224.48138427734375	164.0
224.68263244628906	112.0
224.84234619140625	164.0
225.03338623046875	184.0
225.0730438232422	100.0
225.38882446289062	144.0
225.62913513183594	176.0
226.8373260498047	236.0
227.49127197265625	156.0
227.52291870117188	96.0
227.65040588378906	152.0
227.69027709960938	144.0
227.9117431640625	140.0
228.13551330566406	140.0
228.4345703125	188.0
228.69964599609375	172.0
229.02182006835938	144.0
229.1409149169922	208.0
230.1255340576172	220.0
230.17686462402344	180.0
230.8700714111328	140.0
231.422607421875	204.0
231.84971618652344	188.0
232.03871154785156	132.0
232.1720428466797	324.0
232.216552734375	156.0
232.65956115722656	220.0
232.8326416015625	176.0
233.1273193359375	152.0
233.406982421875	228.0
233.8541717529297	184.0
234.51205444335938	252.0
234.741455078125	144.0
234.86878967285156	144.0
235.1189727783203	168.0
235.32958984375	152.0
235.7234649658203	152.0
236.0537567138672	200.0
236.17913818359375	148.0
236.63511657714844	156.0
237.5644073486328	164.0
237.67721557617188	144.0
237.77540588378906	148.0
237.99725341796875	312.0
238.68470764160156	164.0
238.9417724609375	152.0
239.85458374023438	160.0
240.3521728515625	152.0
240.62144470214844	164.0
240.73387145996094	148.0
240.82652282714844	180.0
240.9624481201172	160.0
241.2593994140625	232.0
241.3704376220703	156.0
241.41680908203125	208.0
241.80043029785156	152.0
242.03773498535156	128.0
242.09034729003906	104.0
242.33303833007812	156.0
242.37332153320312	148.0
242.52517700195312	180.0
243.0648651123047	148.0
243.1671905517578	148.0
243.75799560546875	164.0
244.20179748535156	144.0
245.3962860107422	164.0
245.4751739501953	176.0
245.59715270996094	148.0
246.59628295898438	164.0
247.3218994140625	156.0
247.48609924316406	152.0
247.72747802734375	192.0
247.93890380859375	164.0
248.63197326660156	152.0
248.97103881835938	152.0
249.22860717773438	140.0
249.45803833007812	156.0
249.53550720214844	164.0
249.92034912109375	144.0
249.95181274414062	148.0
250.4334716796875	148.0
250.79580688476562	200.0
250.8975830078125	224.0
250.9565887451172	144.0
251.48023986816406	164.0
251.7517547607422	152.0
251.8243865966797	144.0
252.1466522216797	192.0
252.52920532226562	180.0
252.84873962402344	188.0
252.9375762939453	184.0
253.19381713867188	140.0
253.31417846679688	148.0
253.37120056152344	140.0
253.6089324951172	192.0
253.698486328125	160.0
253.81809997558594	140.0
253.90689086914062	220.0
254.11306762695312	196.0
255.01451110839844	156.0
255.53005981445312	152.0
255.61279296875	156.0
256.1158142089844	148.0
256.6161193847656	140.0
257.1584167480469	152.0
257.26898193359375	128.0
257.413818359375	144.0
257.9966735839844	148.0
258.05419921875	176.0
258.2127380371094	152.0
258.2799072265625	168.0
258.56573486328125	104.0
259.5641174316406	148.0
259.9169616699219	140.0
260.1897888183594	176.0
260.2154541015625	140.0
260.3240661621094	156.0
260.48046875	232.0
261.2450256347656	216.0
261.739501953125	228.0
261.8650817871094	196.0
261.974609375	176.0
262.4386901855469	144.0
262.75799560546875	148.0
262.9774169921875	152.0
263.00506591796875	200.0
263.03228759765625	180.0
263.4844055175781	136.0
264.9337158203125	144.0
265.3712463378906	168.0
265.6468811035156	160.0
265.740966796875	152.0
265.77764892578125	156.0
265.9717712402344	100.0
266.13677978515625	140.0
266.1986389160156	204.0
266.2974853515625	220.0
266.6936340332031	176.0
266.84197998046875	164.0
267.0338439941406	156.0
267.0631103515625	164.0
267.1216735839844	164.0
267.2030029296875	164.0
268.262939453125	160.0
268.31353759765625	200.0
268.3852844238281	208.0
268.4635314941406	140.0
268.5210266113281	96.0
268.7962646484375	144.0
269.12921142578125	148.0
269.2544250488281	128.0
269.710693359375	152.0
269.767333984375	136.0
270.7674865722656	168.0
270.98370361328125	180.0
271.1868591308594	156.0
271.2720947265625	168.0
271.3584899902344	136.0
271.61639404296875	184.0
272.2071533203125	176.0
272.7298583984375	152.0
272.8840026855469	144.0
272.9563293457031	184.0
273.3161926269531	140.0
273.4267578125	184.0
274.1575012207031	180.0
274.98895263671875	152.0
275.4016418457031	164.0
275.4512023925781	160.0
276.3415832519531	160.0
276.3924560546875	96.0
276.7078552246094	140.0
277.0944519042969	164.0
277.1351013183594	164.0
277.34808349609375	164.0
277.9284362792969	368.0
278.0237731933594	204.0
278.11669921875	160.0
279.41314697265625	148.0
279.495849609375	144.0
279.8586730957031	156.0
279.9709167480469	168.0
280.0942077636719	132.0
280.44549560546875	156.0
280.7516784667969	160.0
280.9151306152344	168.0
281.05743408203125	184.0
281.352294921875	172.0
281.4438171386719	164.0
281.4915466308594	116.0
282.09228515625	192.0
282.31121826171875	156.0
282.3847961425781	184.0
282.7695617675781	152.0
283.0147705078125	136.0
283.2919006347656	176.0
283.33880615234375	144.0
283.5163879394531	160.0
283.8851318359375	144.0
283.9779357910156	132.0
284.875244140625	220.0
284.9726867675781	152.0
285.0298156738281	156.0
285.07037353515625	160.0
285.8233642578125	220.0
286.1026916503906	156.0
286.4529113769531	172.0
286.5708312988281	172.0
286.75616455078125	156.0
286.9247131347656	144.0
287.0697021484375	148.0
287.71539306640625	128.0
287.795166015625	164.0
287.9944152832031	152.0
289.11346435546875	148.0
289.2491760253906	124.0
289.98724365234375	304.0
290.126220703125	192.0
290.20245361328125	196.0
290.40765380859375	144.0
290.48907470703125	156.0
290.93023681640625	152.0
291.1373291015625	184.0
291.1941833496094	124.0
291.3954772949219	148.0
291.6824035644531	204.0
291.7591247558594	180.0
292.1965026855469	224.0
293.4000244140625	168.0
293.4422302246094	128.0
293.81494140625	164.0
294.072021484375	148.0
294.48028564453125	216.0
296.3323669433594	180.0
296.4680480957031	164.0
296.6784973144531	144.0
296.73480224609375	200.0
297.260009765625	132.0
297.2890319824219	144.0
297.53271484375	172.0
298.0513610839844	176.0
298.68048095703125	200.0
298.7894287109375	208.0
299.2930603027344	140.0
299.3665771484375	228.0
299.9010314941406	144.0
300.2642822265625	180.0
300.9239196777344	164.0
301.0352783203125	140.0
301.10345458984375	168.0
301.49383544921875	144.0
301.5940856933594	152.0
301.77728271484375	160.0
302.23040771484375	164.0
302.289794921875	120.0
302.4311218261719	140.0
302.66998291015625	180.0
303.0059509277344	140.0
303.0371398925781	176.0
303.3136901855469	188.0
304.0218811035156	196.0
304.5669860839844	144.0
304.74609375	184.0
304.89007568359375	160.0
305.369873046875	164.0
306.0401306152344	164.0
306.0923767089844	136.0
306.3243408203125	200.0
306.5950622558594	148.0
306.6529846191406	104.0
306.8846435546875	160.0
307.2578430175781	176.0
307.84814453125	132.0
308.16864013671875	192.0
308.3018493652344	152.0
308.50457763671875	180.0
309.67095947265625	128.0
310.0604553222656	108.0
310.25494384765625	180.0
310.6398620605469	168.0
312.0067443847656	176.0
312.5343017578125	184.0
312.74896240234375	140.0
313.10809326171875	176.0
313.25604248046875	140.0
313.777587890625	204.0
314.1302490234375	160.0
314.2359619140625	224.0
314.8820495605469	160.0
315.1673583984375	152.0
315.67535400390625	120.0
315.7914733886719	180.0
315.9071044921875	188.0
317.2704772949219	140.0
317.54351806640625	156.0
318.3171691894531	144.0
318.8464660644531	148.0
318.9089660644531	108.0
318.96533203125	128.0
319.4864807128906	176.0
319.6662292480469	180.0
319.8174133300781	148.0
319.92596435546875	180.0
320.03955078125	112.0
320.1510925292969	348.0
320.2020263671875	35628.0
320.52093505859375	132.0
320.5503845214844	132.0
320.6207580566406	180.0
320.8160705566406	124.0
321.2052001953125	7552.0
321.30584716796875	100.0
321.5138854980469	164.0
321.9292297363281	116.0
322.2059326171875	912.0
322.25433349609375	180.0
322.2923583984375	168.0
322.52105712890625	140.0
323.0218200683594	192.0
323.20770263671875	316.0
323.50970458984375	116.0
323.7195739746094	164.0
323.76409912109375	112.0
324.0527038574219	140.0
325.14483642578125	112.0
326.0852355957031	132.0
326.2659606933594	128.0
326.4684143066406	200.0
326.57989501953125	148.0
328.1211242675781	172.0
328.8678283691406	152.0
329.94427490234375	168.0
330.5009460449219	96.0
330.85955810546875	196.0
331.1637268066406	168.0
331.1986999511719	152.0
331.3665771484375	180.0
331.4627380371094	172.0
331.5854797363281	156.0
332.1242370605469	148.0
332.3092346191406	148.0
332.38543701171875	148.0
332.4398498535156	156.0
332.76654052734375	204.0
332.8173828125	160.0
333.322265625	164.0
333.91827392578125	156.0
334.20947265625	208.0
334.57122802734375	160.0
334.91827392578125	248.0
335.4891357421875	132.0
335.52020263671875	164.0
335.6216125488281	172.0
335.66192626953125	164.0
335.79632568359375	104.0
335.95477294921875	160.0
336.05487060546875	132.0
336.09417724609375	152.0
336.16265869140625	156.0
336.24774169921875	208.0
336.3436279296875	148.0
336.46807861328125	260.0
336.5665283203125	232.0
336.5898742675781	268.0
336.735107421875	200.0
336.7627868652344	144.0
336.82586669921875	332.0
336.8639221191406	152.0
336.9438781738281	208.0
337.0013122558594	112.0
337.0569152832031	204.0
337.0972595214844	148.0
337.1332092285156	228.0
337.2078552246094	328.0
337.2666320800781	600.0
337.3291320800781	104.0
337.3715515136719	340.0
337.3890075683594	248.0
337.4490661621094	592.0
337.4881591796875	536.0
337.5398864746094	228.0
337.6045837402344	492.0
337.68658447265625	108.0
337.7299499511719	224.0
337.80120849609375	212.0
337.84027099609375	408.0
337.9173889160156	420.0
337.9571228027344	400.0
338.0032653808594	508.0
338.034912109375	492.0
338.06707763671875	296.0
338.1609802246094	772.0
338.2149963378906	232040.0
338.3507995605469	148.0
338.4603576660156	308.0
338.5542907714844	2012.0
338.670654296875	1236.0
338.7053527832031	256.0
338.7722473144531	2164.0
338.8241271972656	12804.0
338.9619140625	408.0
339.01123046875	252.0
339.1168212890625	580.0
339.2174377441406	161328.0
339.3407897949219	176.0
339.3981018066406	116.0
339.457763671875	476.0
339.50616455078125	300.0
339.5438232421875	284.0
339.5900573730469	248.0
339.625732421875	112.0
339.67169189453125	196.0
339.7149963378906	216.0
339.75341796875	344.0
339.77484130859375	388.0
339.8201599121094	716.0
339.8698425292969	272.0
339.92608642578125	128.0
339.95880126953125	248.0
340.0138244628906	284.0
340.05792236328125	156.0
340.1190185546875	188.0
340.2186584472656	25208.0
340.33184814453125	156.0
340.3656921386719	100.0
340.41973876953125	136.0
340.4886779785156	260.0
340.5220947265625	140.0
340.5824890136719	96.0
340.6146240234375	172.0
340.6520080566406	176.0
340.6942443847656	176.0
340.74151611328125	236.0
340.7803649902344	200.0
340.82794189453125	228.0
340.87225341796875	180.0
340.92071533203125	292.0
340.9552917480469	252.0
341.0067443847656	96.0
341.0353088378906	260.0
341.0570373535156	112.0
341.0937194824219	264.0
341.12115478515625	192.0
341.2211608886719	2176.0
341.2591552734375	532.0
341.32470703125	340.0
341.3709411621094	192.0
341.45233154296875	352.0
341.4815368652344	512.0
341.53076171875	276.0
341.6236572265625	188.0
341.653564453125	364.0
341.7237854003906	296.0
341.7642822265625	344.0
341.8902282714844	196.0
342.0851135253906	208.0
342.1598815917969	96.0
342.19244384765625	116.0
342.2367858886719	176.0
342.3006591796875	104.0
342.34307861328125	276.0
342.423095703125	164.0
342.58892822265625	120.0
342.6350402832031	136.0
342.6698913574219	112.0
342.70361328125	124.0
342.8113098144531	96.0
342.9343566894531	164.0
343.1463928222656	140.0
343.317138671875	132.0
343.39862060546875	152.0
343.85833740234375	156.0
344.04656982421875	152.0
346.2445983886719	116.0
347.51806640625	144.0
348.6589660644531	100.0
351.8940124511719	104.0
352.1026306152344	100.0
352.3204040527344	120.0
352.4503173828125	136.0
352.9673767089844	212.0
353.56451416015625	96.0
353.8708190917969	100.0
355.4634094238281	124.0
357.028564453125	152.0
359.1446228027344	108.0
376.78619384765625	140.0
404.5188903808594	140.0
407.4543762207031	152.0
423.8835144042969	200.0
441.47332763671875	164.0
452.036376953125	144.0
465.6916809082031	140.0
483.1176452636719	96.0
562.4856567382812	116.0
586.9164428710938	132.0
620.8194580078125	108.0
627.5496826171875	144.0
740.1512451171875	144.0
832.6091918945312	140.0
1088.3125	144.0
1161.253662109375	176.0
1162.9295654296875	140.0
1183.873291015625	264.0
1194.1607666015625	200.0
1194.5184326171875	148.0
1195.4954833984375	148.0
1196.748291015625	204.0
1201.0552978515625	164.0
1228.8599853515625	156.0
1232.777099609375	176.0
1236.87548828125	220.0
1247.854248046875	204.0
1251.7593994140625	212.0
1263.6668701171875	172.0
1266.8243408203125	216.0
1279.699951171875	172.0
1285.944580078125	160.0
1290.3734130859375	208.0
1297.2459716796875	160.0
1299.196533203125	140.0
1299.764404296875	144.0
1307.6971435546875	172.0
1314.2259521484375	192.0
1314.55517578125	108.0
1314.70947265625	152.0
1318.0816650390625	240.0
1319.259765625	152.0
1324.5205078125	228.0
1328.1810302734375	248.0
1328.7685546875	164.0
1340.33642578125	168.0
1341.5244140625	152.0
1341.73583984375	144.0
1354.7733154296875	160.0
1362.4615478515625	208.0
1370.3409423828125	144.0
1374.410888671875	160.0
1378.1544189453125	192.0
1378.3243408203125	180.0
1380.2313232421875	240.0
1383.0648193359375	212.0
1383.146240234375	152.0
1393.4095458984375	204.0
1397.312744140625	208.0
1400.908447265625	160.0
1407.62841796875	264.0
1407.8076171875	152.0
1419.263916015625	152.0
1420.0963134765625	148.0
1422.092041015625	196.0
1423.2181396484375	192.0
1425.2010498046875	148.0
1430.4127197265625	144.0
1434.0433349609375	196.0
1434.1563720703125	160.0
1438.53125	188.0
1439.1654052734375	220.0
1440.230224609375	176.0
1441.1292724609375	140.0
1442.6484375	164.0
1447.4141845703125	168.0
1448.9976806640625	188.0
1450.7559814453125	220.0
1455.9761962890625	140.0
1460.300537109375	140.0
1462.415771484375	144.0
1465.6827392578125	212.0
1471.0594482421875	188.0
1475.1845703125	264.0
1475.9720458984375	176.0
1477.272216796875	140.0
1478.5728759765625	232.0
1483.428955078125	188.0
1485.453369140625	180.0
1497.08984375	156.0
1502.7366943359375	156.0
1503.4034423828125	228.0
1505.9124755859375	160.0
1506.1983642578125	208.0
1511.8267822265625	184.0
1512.856201171875	204.0
1514.8231201171875	144.0
1515.5203857421875	168.0
1516.6905517578125	172.0
1522.509521484375	144.0
1526.4183349609375	216.0
1527.406005859375	148.0
1527.7716064453125	276.0
1529.891357421875	220.0
1530.9083251953125	184.0
1531.6715087890625	172.0
1533.075927734375	216.0
1535.888427734375	152.0
1536.0054931640625	152.0
1537.0352783203125	144.0
1539.705078125	224.0
1539.9237060546875	176.0
1540.0330810546875	188.0
1540.681396484375	148.0
1542.7445068359375	148.0
1555.2384033203125	176.0
1556.0234375	140.0
1557.680419921875	236.0
1558.84326171875	140.0
1560.4310302734375	200.0
1560.580322265625	176.0
1563.47509765625	156.0
1564.4510498046875	188.0
1569.501220703125	176.0
1572.45947265625	168.0
1576.4949951171875	192.0
1577.3011474609375	172.0
1577.666748046875	176.0
1577.97314453125	236.0
1583.4964599609375	176.0
1586.15869140625	180.0
1587.903076171875	188.0
1590.0654296875	152.0
1594.8184814453125	248.0
1597.5093994140625	96.0
1599.8695068359375	156.0
1602.0277099609375	152.0
1602.505615234375	216.0
1603.68505859375	160.0
1605.781982421875	156.0
1606.4678955078125	168.0
1608.8939208984375	160.0
1608.98974609375	148.0
1609.7003173828125	204.0
1611.2738037109375	140.0
1611.7371826171875	292.0
1619.4810791015625	164.0
1620.786865234375	200.0
1621.4039306640625	148.0
1622.317626953125	156.0
1628.2633056640625	168.0
1634.8153076171875	180.0
1637.1014404296875	188.0
1637.8746337890625	172.0
1638.4063720703125	204.0
1640.259765625	140.0
1641.4691162109375	148.0
1642.08203125	212.0
1646.5369873046875	168.0
1647.280029296875	152.0
1647.4820556640625	172.0
1648.136474609375	156.0
1648.7020263671875	220.0
1649.195068359375	148.0
1649.8983154296875	284.0
1654.63916015625	176.0
1655.90234375	236.0
1659.6219482421875	144.0
1663.913818359375	184.0
1667.03662109375	116.0
1668.707275390625	152.0
1672.2294921875	220.0
1679.04052734375	144.0
1683.055419921875	140.0
1685.6529541015625	152.0
1693.3837890625	208.0
1693.5394287109375	168.0
1702.2205810546875	156.0
1703.0701904296875	192.0
1704.3189697265625	200.0
1708.0721435546875	128.0
1708.3309326171875	148.0
1711.2525634765625	148.0
1712.98193359375	244.0
1714.6793212890625	156.0
1717.5155029296875	188.0
1718.3900146484375	180.0
1720.8494873046875	176.0
1722.9423828125	156.0
1723.5504150390625	168.0
1724.2362060546875	148.0
1725.8233642578125	168.0
1726.48486328125	176.0
1730.33251953125	192.0
1730.6553955078125	152.0
1732.4609375	148.0
1736.3814697265625	160.0
1743.105712890625	148.0
1743.7872314453125	188.0
1745.6160888671875	208.0
1747.479248046875	164.0
1750.7005615234375	188.0
1752.2666015625	204.0
1756.3095703125	140.0
1759.1883544921875	140.0
1761.18408203125	220.0
1763.531982421875	228.0
1764.5601806640625	192.0
1765.42138671875	212.0
1766.751220703125	264.0
1768.1402587890625	160.0
1774.179443359375	168.0
1780.1197509765625	176.0
1780.674072265625	240.0
1781.93408203125	224.0
1782.7071533203125	176.0
1789.4530029296875	168.0
1791.1287841796875	196.0
1792.4515380859375	176.0
1794.4913330078125	192.0
1796.0682373046875	148.0
1797.3421630859375	208.0
1798.3294677734375	212.0
1804.0987548828125	192.0
1808.099609375	144.0
1810.1474609375	216.0
1810.7579345703125	204.0
1811.105224609375	152.0
1812.1470947265625	184.0
1813.909912109375	180.0
1814.486328125	148.0
1817.3614501953125	244.0
1819.2987060546875	140.0
1819.763427734375	148.0
1820.42578125	176.0
1824.700439453125	220.0
1831.320068359375	148.0
1831.5926513671875	160.0
1831.950439453125	188.0
1832.0440673828125	180.0
1832.2144775390625	188.0
1835.5384521484375	144.0
1836.229248046875	164.0
1838.19140625	160.0
1838.3023681640625	160.0
1839.4971923828125	140.0
1840.41064453125	148.0
1842.0845947265625	248.0
1843.1781005859375	176.0
1847.333251953125	168.0
1848.0860595703125	160.0
1850.3199462890625	208.0
1850.9534912109375	196.0
1851.6728515625	144.0
1854.671630859375	140.0
1855.014404296875	212.0
1855.3916015625	152.0
1859.4488525390625	148.0
1861.0799560546875	160.0
1861.7926025390625	192.0
1867.08642578125	156.0
1869.125244140625	184.0
1869.5263671875	212.0
1870.157958984375	196.0
1870.49365234375	264.0
1871.6300048828125	172.0
1874.2916259765625	144.0
1874.4725341796875	152.0
1876.661865234375	164.0
1878.550537109375	224.0
1878.8525390625	148.0
1880.6473388671875	152.0
1881.9405517578125	180.0
1885.60498046875	156.0
1886.1754150390625	240.0
1888.31103515625	184.0
1889.322998046875	148.0
1891.036376953125	160.0
1893.7550048828125	164.0
1898.911865234375	196.0
1900.2391357421875	176.0
1900.8551025390625	192.0
1902.000732421875	164.0
1902.9295654296875	228.0
1904.9010009765625	148.0
1915.4224853515625	216.0
1918.5460205078125	140.0
1919.3568115234375	164.0
1919.9149169921875	140.0
1920.59521484375	184.0
1922.331298828125	152.0
1925.9805908203125	192.0
1926.3038330078125	156.0
1929.4149169921875	164.0
1930.5428466796875	152.0
1932.1551513671875	176.0
1934.2611083984375	176.0
1934.3878173828125	160.0
1936.02099609375	172.0
1936.2574462890625	180.0
1937.291015625	188.0
1938.03564453125	216.0
1940.0601806640625	196.0
1944.2423095703125	224.0
1946.0938720703125	148.0
1949.75146484375	168.0
1951.2095947265625	144.0
1951.781005859375	180.0
1958.989013671875	140.0
1962.9552001953125	152.0
1963.563720703125	228.0
1963.64306640625	176.0
1963.8988037109375	184.0
1964.930908203125	172.0
1965.51318359375	248.0
1968.6380615234375	184.0
1971.853759765625	152.0
1973.984375	180.0
1979.240478515625	160.0
1983.5460205078125	192.0
1983.7144775390625	140.0
1984.60107421875	160.0
1985.9932861328125	176.0
1989.542724609375	152.0
1992.1358642578125	208.0
1998.54541015625	240.0
1999.524658203125	212.0
1999.8985595703125	204.0
1999.9964599609375	200.0
2001.109130859375	180.0
2002.7744140625	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079166
PEPMASS=360.198273
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=LOBELINE HYDROCHLORIDE [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c3ccccc3
INCHI=InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1
INCHIAUX=MXYUKLILVYORSK-HBMCJLEFSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079166
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079166
SCANS=1159
88.63985443115234	168.0
98.09769439697266	316.0
98.38291931152344	196.0
101.00602722167969	224.0
110.9046859741211	200.0
112.76740264892578	140.0
114.16239166259766	168.0
120.08314514160156	156.0
121.82989501953125	160.0
128.88427734375	144.0
134.9993438720703	188.0
135.05715942382812	184.0
137.97323608398438	200.0
141.97853088378906	156.0
143.0472412109375	700.0
144.0532684326172	324.0
149.02183532714844	160.0
150.3269500732422	180.0
153.6146697998047	256.0
158.96405029296875	160.0
187.1522674560547	180.0
190.02484130859375	176.0
192.95309448242188	160.0
192.98289489746094	140.0
204.06716918945312	172.0
211.1472930908203	152.0
216.1450958251953	160.0
218.15484619140625	2240.0
218.742431640625	156.0
219.15914916992188	1020.0
222.91856384277344	208.0
226.9493408203125	256.0
228.03794860839844	168.0
228.0996551513672	160.0
240.06423950195312	164.0
240.1363983154297	10548.0
240.4925537109375	120.0
241.1398162841797	956.0
242.14718627929688	184.0
243.21685791015625	144.0
247.23739624023438	188.0
250.0830078125	192.0
251.1994171142578	152.0
252.8455810546875	168.0
254.11756896972656	152.0
258.1444091796875	304.0
258.235107421875	192.0
259.1486511230469	328.0
263.1097717285156	172.0
265.0730285644531	164.0
281.0218811035156	164.0
281.1552734375	156.0
283.1746520996094	140.0
285.1070861816406	136.0
288.47760009765625	188.0
288.917236328125	164.0
292.02435302734375	224.0
299.0279846191406	164.0
304.9804382324219	200.0
305.9474792480469	176.0
306.9474182128906	188.0
312.15643310546875	156.0
313.1661682128906	140.0
319.46514892578125	196.0
323.24884033203125	192.0
325.2827453613281	188.0
325.53765869140625	156.0
326.3857116699219	164.0
328.25750732421875	392.0
328.294189453125	144.0
331.10577392578125	160.0
332.67578125	180.0
335.9910583496094	288.0
340.19049072265625	868.0
340.5043640136719	176.0
340.8753967285156	200.0
341.18756103515625	332.0
344.97357177734375	124.0
357.2398986816406	148.0
358.2013244628906	1924.0
358.3724060058594	148.0
359.12335205078125	128.0
359.2005310058594	616.0
359.3036193847656	148.0
360.1224670410156	152.0
360.1943664550781	8612.0
360.3133544921875	136.0
361.19818115234375	1512.0
361.63134765625	156.0
362.20501708984375	240.0
362.25	248.0
363.1094665527344	144.0
363.1717224121094	108.0
363.4806823730469	140.0
382.91888427734375	172.0
412.67767333984375	148.0
562.810302734375	148.0
1736.248779296875	164.0
1979.0279541015625	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079167
PEPMASS=396.295593
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=AM 404 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)cc1
INCHI=InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(28)23-21-24/h6-7,9-10,12-13,15-16,20-23,28H,2-5,8,11,14,17-19H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-
INCHIAUX=IJBZOOZRAXHERC-DOFZRALJSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079167
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079167
SCANS=3522
44.99939727783203	192.0
45.33245849609375	204.0
45.592803955078125	164.0
46.2780647277832	172.0
46.49223709106445	144.0
46.939796447753906	204.0
47.234798431396484	168.0
48.81123733520508	152.0
49.82135772705078	124.0
50.82987976074219	168.0
51.0500602722168	192.0
51.2963752746582	196.0
51.72777557373047	144.0
51.74781799316406	156.0
52.326419830322266	168.0
52.9111328125	164.0
53.34489440917969	148.0
53.624366760253906	196.0
54.236785888671875	156.0
54.845314025878906	164.0
55.06958770751953	160.0
55.55807113647461	140.0
55.727317810058594	164.0
56.07404327392578	176.0
56.72723388671875	176.0
58.544921875	176.0
58.57386016845703	172.0
59.45760726928711	192.0
60.03142547607422	176.0
60.18882369995117	148.0
60.573917388916016	176.0
60.637447357177734	184.0
60.86238098144531	264.0
61.358707427978516	168.0
61.80227279663086	180.0
62.04660415649414	248.0
63.96445083618164	164.0
66.07479095458984	220.0
67.39515686035156	204.0
68.33943176269531	164.0
68.37543487548828	164.0
69.71354675292969	168.0
69.92808532714844	176.0
70.96378326416016	160.0
71.21214294433594	140.0
72.28604125976562	148.0
72.93559265136719	212.0
73.10906982421875	164.0
74.76567840576172	152.0
75.24141693115234	208.0
75.38996124267578	168.0
75.47293090820312	148.0
76.67070770263672	164.0
77.2661361694336	140.0
77.61116790771484	232.0
79.0750732421875	172.0
81.21279907226562	220.0
81.36389923095703	144.0
81.9123764038086	176.0
82.55852508544922	140.0
83.27257537841797	152.0
86.85371398925781	180.0
87.2223129272461	108.0
91.05425262451172	1180.0
91.177978515625	144.0
91.34149932861328	224.0
91.62895202636719	164.0
91.87106323242188	160.0
92.06007385253906	144.0
92.15744018554688	172.0
92.78711700439453	140.0
92.9002685546875	200.0
93.06987762451172	1044.0
93.76744842529297	188.0
94.04132080078125	200.0
94.63479614257812	172.0
94.81881713867188	148.0
95.0442123413086	156.0
95.06704711914062	156.0
95.08578491210938	780.0
95.11974334716797	132.0
96.09053802490234	140.0
97.0234146118164	160.0
97.06581115722656	296.0
97.10185241699219	172.0
98.0731201171875	144.0
99.19783782958984	168.0
99.81130981445312	160.0
100.93946075439453	156.0
103.05377960205078	156.0
103.37599182128906	220.0
104.04891967773438	200.0
105.02772521972656	144.0
105.0705795288086	1596.0
106.03571319580078	148.0
106.07296752929688	340.0
107.08480834960938	1824.0
107.6341323852539	160.0
107.74359893798828	192.0
108.04401397705078	4304.0
108.08576202392578	252.0
109.05064392089844	452.0
109.10218048095703	592.0
109.81523895263672	260.0
109.90494537353516	140.0
110.06049346923828	6672.0
110.13667297363281	184.0
111.03874969482422	196.0
111.06209564208984	884.0
112.06246948242188	176.0
112.0793228149414	148.0
112.22686767578125	212.0
113.06548309326172	168.0
113.09431457519531	184.0
113.4933853149414	160.0
115.05227661132812	204.0
116.85961151123047	156.0
117.06958770751953	632.0
117.49301147460938	184.0
118.07405853271484	196.0
119.08541107177734	2552.0
119.3165283203125	144.0
119.50574493408203	140.0
120.02849578857422	184.0
120.04594421386719	316.0
120.08838653564453	300.0
121.06610107421875	132.0
121.10105895996094	2248.0
121.22858428955078	172.0
121.43466186523438	204.0
121.6650619506836	160.0
121.99458312988281	184.0
122.10498809814453	152.0
122.7056655883789	176.0
122.80268859863281	212.0
123.08323669433594	192.0
123.11739349365234	488.0
123.23535919189453	168.0
125.09606170654297	144.0
125.12722778320312	176.0
127.11427307128906	248.0
128.06141662597656	204.0
129.07168579101562	512.0
129.10113525390625	156.0
131.08526611328125	1348.0
131.11708068847656	156.0
131.60752868652344	184.0
131.88623046875	196.0
132.0096893310547	140.0
132.0885772705078	400.0
133.0804443359375	172.0
133.10171508789062	3824.0
134.06195068359375	180.0
134.10543823242188	560.0
134.59249877929688	192.0
135.08078002929688	740.0
135.1180877685547	1016.0
135.23748779296875	172.0
135.46441650390625	140.0
136.0395965576172	2324.0
136.08853149414062	232.0
136.12286376953125	288.0
136.3530731201172	156.0
137.04351806640625	672.0
137.09939575195312	320.0
137.1312713623047	332.0
138.09934997558594	176.0
138.13677978515625	148.0
138.54176330566406	204.0
138.98956298828125	204.0
139.17733764648438	204.0
142.07742309570312	612.0
143.0834503173828	692.0
143.48829650878906	160.0
143.67669677734375	164.0
144.09164428710938	284.0
145.06610107421875	292.0
145.1004638671875	2320.0
145.8438262939453	212.0
146.0770721435547	204.0
146.10350036621094	288.0
147.07998657226562	896.0
147.1168975830078	3528.0
148.07850646972656	420.0
148.12086486816406	348.0
148.14102172851562	184.0
149.07662963867188	124.0
149.09544372558594	2592.0
149.13311767578125	1244.0
149.52259826660156	212.0
150.05360412597656	164.0
150.09698486328125	268.0
150.13800048828125	204.0
150.52590942382812	112.0
151.05975341796875	180.0
151.09625244140625	148.0
151.1121826171875	360.0
151.15084838867188	592.0
151.21707153320312	96.0
151.2775421142578	140.0
152.0702667236328	184.0
152.1502685546875	312.0
153.1486358642578	196.0
154.4667205810547	216.0
155.64889526367188	140.0
156.0911865234375	228.0
157.101318359375	752.0
158.10137939453125	452.0
159.07179260253906	172.0
159.11538696289062	792.0
159.79052734375	156.0
160.1163787841797	220.0
160.5411376953125	176.0
161.0975341796875	1272.0
161.1333770751953	1772.0
162.05288696289062	280.0
162.0943145751953	132.0
162.13815307617188	596.0
162.27574157714844	156.0
163.1117706298828	1228.0
163.14817810058594	1120.0
163.334716796875	188.0
164.06959533691406	740.0
164.11277770996094	268.0
164.15249633789062	252.0
165.07456970214844	124.0
165.0996551513672	176.0
165.1284637451172	164.0
165.16673278808594	268.0
165.73191833496094	172.0
166.1395721435547	228.0
166.51174926757812	180.0
167.13815307617188	184.0
168.5236053466797	200.0
169.28407287597656	140.0
171.11636352539062	1992.0
172.11888122558594	680.0
173.1331024169922	1080.0
173.57073974609375	148.0
173.92483520507812	164.0
174.09205627441406	236.0
174.95001220703125	152.0
175.11178588867188	1692.0
175.14874267578125	2412.0
176.07138061523438	320.0
176.10568237304688	288.0
176.15306091308594	260.0
176.1789093017578	164.0
177.0807647705078	152.0
177.1291961669922	444.0
177.16415405273438	1632.0
178.0864715576172	2340.0
178.14454650878906	200.0
178.1685333251953	476.0
178.3358612060547	140.0
178.55653381347656	164.0
179.09060668945312	272.0
179.15065002441406	116.0
179.60592651367188	152.0
181.2473907470703	212.0
183.11172485351562	168.0
184.07986450195312	144.0
184.1230010986328	144.0
184.65818786621094	164.0
185.13377380371094	1664.0
186.09169006347656	152.0
186.13919067382812	448.0
186.55081176757812	156.0
187.14845275878906	836.0
188.11123657226562	140.0
188.1533660888672	324.0
188.871337890625	172.0
189.08201599121094	152.0
189.12673950195312	1372.0
189.1641387939453	2344.0
190.08212280273438	316.0
190.12890625	268.0
190.16726684570312	452.0
190.25242614746094	176.0
191.0816650390625	196.0
191.1236572265625	148.0
191.14466857910156	544.0
191.178955078125	908.0
191.7046661376953	176.0
192.10379028320312	2636.0
192.15174865722656	220.0
192.1787872314453	164.0
193.10711669921875	468.0
193.201171875	284.0
193.68836975097656	200.0
194.109619140625	176.0
194.16099548339844	136.0
194.5757598876953	160.0
197.0935821533203	160.0
197.73956298828125	240.0
199.14796447753906	948.0
200.1485137939453	360.0
201.16441345214844	668.0
202.0854034423828	148.0
202.12094116210938	392.0
202.16522216796875	168.0
202.31082153320312	144.0
202.4467315673828	172.0
203.14247131347656	1568.0
203.1794891357422	7544.0
204.1019744873047	368.0
204.14492797851562	392.0
204.18258666992188	1408.0
205.04330444335938	144.0
205.10916137695312	116.0
205.1595001220703	536.0
205.19091796875	1208.0
206.1167449951172	1740.0
206.15924072265625	292.0
206.19100952148438	164.0
207.11473083496094	176.0
207.176025390625	180.0
208.11952209472656	140.0
211.1412811279297	296.0
211.5955810546875	148.0
213.1645965576172	496.0
214.11892700195312	164.0
214.1793975830078	228.0
215.13223266601562	152.0
215.18035888671875	280.0
216.18783569335938	148.0
216.80665588378906	156.0
217.1577606201172	268.0
217.1949005126953	180.0
217.6634979248047	200.0
218.11521911621094	1048.0
218.16014099121094	120.0
218.19422912597656	140.0
219.1200714111328	272.0
219.17430114746094	464.0
219.91827392578125	176.0
220.13294982910156	708.0
220.1771697998047	464.0
221.1404571533203	164.0
221.19247436523438	276.0
221.4053955078125	176.0
221.83502197265625	176.0
221.87356567382812	144.0
222.14158630371094	144.0
222.20042419433594	184.0
225.2780303955078	172.0
227.1773681640625	332.0
228.14076232910156	140.0
229.20533752441406	208.0
230.123046875	324.0
230.73556518554688	180.0
231.11537170410156	264.0
231.1693572998047	528.0
231.21221923828125	316.0
232.13323974609375	1188.0
232.68360900878906	148.0
233.14041137695312	276.0
233.21824645996094	156.0
234.1474151611328	992.0
235.158203125	252.0
240.14268493652344	148.0
241.19244384765625	328.0
242.1593017578125	156.0
243.20889282226562	764.0
244.13478088378906	612.0
244.20335388183594	332.0
244.4037322998047	180.0
244.7056427001953	164.0
245.13624572753906	144.0
245.22607421875	7384.0
246.1505584716797	1076.0
246.23019409179688	1116.0
247.1565704345703	240.0
247.19332885742188	156.0
247.231201171875	268.0
248.16500854492188	424.0
250.20018005371094	156.0
252.88011169433594	140.0
253.8970947265625	180.0
256.1356506347656	196.0
257.1315612792969	116.0
258.14947509765625	892.0
258.2028503417969	172.0
259.14837646484375	520.0
259.2064514160156	488.0
259.24481201171875	3476.0
260.1632995605469	1388.0
260.2482604980469	328.0
261.171875	336.0
261.2641906738281	120.0
262.0838623046875	140.0
262.1756896972656	192.0
262.8222351074219	156.0
269.22637939453125	6300.0
269.4963684082031	104.0
270.14886474609375	420.0
270.2302551269531	848.0
271.1532897949219	252.0
271.23126220703125	420.0
272.16326904296875	1004.0
273.173095703125	144.0
274.17822265625	932.0
274.4476318359375	188.0
275.1806945800781	328.0
276.0241394042969	116.0
276.1963806152344	568.0
276.23431396484375	220.0
278.89031982421875	156.0
280.17999267578125	156.0
280.9414978027344	156.0
284.1617431640625	940.0
285.1687927246094	140.0
286.17974853515625	432.0
286.2505187988281	196.0
286.93115234375	196.0
287.0626525878906	148.0
287.1625671386719	228.0
287.2371826171875	12428.0
288.2016296386719	352.0
288.2401428222656	2884.0
289.1973876953125	284.0
289.2439270019531	848.0
289.764892578125	136.0
290.2052917480469	96.0
297.1651916503906	176.0
298.18182373046875	564.0
299.17718505859375	128.0
300.1938781738281	296.0
301.1894836425781	156.0
302.2104187011719	408.0
303.218994140625	264.0
304.23248291015625	140.0
305.227294921875	116.0
309.58538818359375	144.0
312.1968688964844	728.0
313.2015380859375	284.0
314.207275390625	292.0
315.2208557128906	140.0
316.2234191894531	660.0
317.2358703613281	240.0
318.1286315917969	144.0
318.2422790527344	320.0
320.24432373046875	152.0
321.2780456542969	156.0
326.2167663574219	340.0
327.21197509765625	248.0
329.2248840332031	156.0
330.2461242675781	280.0
340.2288513183594	352.0
341.23687744140625	336.0
342.2396545410156	200.0
354.239990234375	292.0
355.2853698730469	144.0
357.5360412597656	140.0
359.910888671875	204.0
368.2589416503906	344.0
369.2580261230469	140.0
378.2814636230469	448.0
379.28369140625	128.0
394.2715759277344	140.0
395.21856689453125	192.0
395.3164978027344	148.0
396.0559997558594	132.0
396.116943359375	132.0
396.2262268066406	140.0
396.2902526855469	16456.0
396.3816833496094	104.0
397.2923889160156	4488.0
397.4165954589844	176.0
397.6318664550781	96.0
398.2184753417969	156.0
398.2983093261719	1136.0
399.3085632324219	324.0
399.8056945800781	116.0
954.9124755859375	172.0
1024.4837646484375	180.0
1127.8089599609375	176.0
1219.8956298828125	140.0
1235.32080078125	152.0
1284.2379150390625	208.0
1290.7867431640625	196.0
1327.9837646484375	144.0
1381.1025390625	164.0
1395.087646484375	256.0
1403.508056640625	164.0
1422.3382568359375	148.0
1484.9532470703125	244.0
1494.9173583984375	224.0
1502.2213134765625	148.0
1581.87158203125	168.0
1587.6712646484375	172.0
1594.0457763671875	164.0
1594.60205078125	200.0
1610.8406982421875	140.0
1613.0621337890625	160.0
1622.50830078125	140.0
1640.6932373046875	160.0
1649.6378173828125	172.0
1660.8040771484375	176.0
1666.177978515625	204.0
1690.1484375	156.0
1703.7501220703125	180.0
1720.608154296875	180.0
1737.681884765625	144.0
1770.2060546875	156.0
1773.8338623046875	160.0
1780.3277587890625	192.0
1796.3868408203125	152.0
1802.6346435546875	164.0
1815.4425048828125	216.0
1816.40087890625	176.0
1823.6435546875	164.0
1849.307861328125	220.0
1855.595458984375	148.0
1855.9984130859375	168.0
1873.80712890625	200.0
1877.1427001953125	152.0
1902.16357421875	164.0
1914.30078125	152.0
1920.7413330078125	152.0
1926.1270751953125	192.0
1926.7559814453125	164.0
1950.9788818359375	144.0
1960.3349609375	160.0
1962.81201171875	160.0
1963.71142578125	152.0
1990.9613037109375	152.0
1997.7073974609375	160.0
2001.3919677734375	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079168
PEPMASS=298.129974
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Duloxetine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CNCC[C@H](Oc1cccc2ccccc12)c3cccs3
INCHI=InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
INCHIAUX=ZEUITGRIYCTCEM-KRWDZBQOSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079168
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079168
SCANS=1191
49.16224670410156	160.0
57.083030700683594	172.0
93.44196319580078	168.0
97.01244354248047	212.0
97.06845092773438	180.0
101.96424865722656	244.0
115.05191040039062	196.0
123.02508544921875	464.0
124.0350341796875	1212.0
124.07852172851562	184.0
128.0583953857422	152.0
129.0701904296875	440.0
129.86654663085938	168.0
141.13055419921875	160.0
147.03111267089844	148.0
149.2913818359375	188.0
153.06109619140625	276.0
154.06820678710938	1348.0
155.07818603515625	768.0
155.12034606933594	148.0
156.07632446289062	264.0
157.06214904785156	540.0
158.06668090820312	304.0
165.06375122070312	312.0
178.08026123046875	164.0
182.95272827148438	172.0
183.08251953125	636.0
184.0812530517578	352.0
198.96437072753906	144.0
200.42124938964844	200.0
211.04847717285156	176.0
212.05311584472656	140.0
221.0438690185547	152.0
221.0973663330078	180.0
226.04925537109375	172.0
229.89572143554688	152.0
233.10348510742188	192.0
238.03900146484375	160.0
239.052001953125	96.0
240.05148315429688	168.0
249.0836639404297	188.0
250.96876525878906	144.0
257.2434997558594	176.0
258.17828369140625	164.0
267.0828552246094	624.0
268.0902099609375	452.0
269.07501220703125	132.0
275.255859375	148.0
297.0346374511719	204.0
297.8584289550781	204.0
298.1246643066406	2760.0
299.1302185058594	596.0
1585.79931640625	168.0
1687.5953369140625	176.0
1741.74853515625	164.0
1765.95361328125	180.0
1840.9197998046875	168.0
1848.47119140625	144.0
1947.9371337890625	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079169
PEPMASS=304.159607
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="Benzeneacetic acid, Alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, [7(S)-(1Alpha,2 ,4 ,5Alpha,7 )]- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1[C@H]2CC(C[C@@H]1[C@H]3O[C@H]32)OC(=O)[C@H](CO)c4ccccc4
INCHI=InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13-,14+,15-,16+/m1/s1
INCHIAUX=STECJAGHUSJQJN-USLFZFAMSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079169
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079169
SCANS=1003
45.26282501220703	172.0
45.457191467285156	144.0
45.649288177490234	188.0
45.901100158691406	168.0
46.019840240478516	172.0
46.07791519165039	144.0
46.09953689575195	148.0
47.05989456176758	172.0
47.16645050048828	204.0
47.44571304321289	152.0
47.81383514404297	180.0
49.08564758300781	164.0
49.506202697753906	268.0
49.60708236694336	308.0
50.118656158447266	164.0
50.75756072998047	160.0
51.1753044128418	144.0
51.21802520751953	140.0
51.51615905761719	148.0
51.65625	212.0
51.891117095947266	204.0
52.100650787353516	172.0
52.50368118286133	148.0
53.36963653564453	216.0
53.52096176147461	228.0
53.57048034667969	168.0
54.25293731689453	188.0
54.48775100708008	220.0
54.97955322265625	200.0
55.00612258911133	192.0
55.22480773925781	172.0
56.23514938354492	164.0
56.30233383178711	192.0
56.602909088134766	144.0
56.69279098510742	220.0
57.354087829589844	232.0
57.69675827026367	180.0
58.204322814941406	152.0
59.40086364746094	192.0
59.552825927734375	208.0
59.74958419799805	168.0
59.84654998779297	144.0
60.5336799621582	160.0
61.10954666137695	184.0
61.1733512878418	144.0
62.00587844848633	168.0
62.560523986816406	180.0
63.13151550292969	236.0
63.19953536987305	184.0
63.25334548950195	164.0
63.430755615234375	148.0
64.41191864013672	140.0
64.4892578125	156.0
65.32305908203125	208.0
65.88728332519531	244.0
66.0246810913086	168.0
66.1007080078125	148.0
66.18326568603516	140.0
68.548583984375	204.0
68.59400177001953	180.0
68.72666931152344	192.0
69.5159683227539	184.0
69.74183654785156	156.0
69.88817596435547	244.0
70.01302337646484	140.0
70.1679916381836	160.0
70.25137329101562	152.0
70.3965835571289	172.0
71.17523193359375	164.0
71.19873809814453	184.0
71.31634521484375	196.0
71.39704895019531	172.0
71.92440032958984	172.0
72.35377502441406	156.0
72.50791931152344	140.0
72.76575469970703	144.0
72.98663330078125	200.0
73.14144897460938	164.0
73.39869689941406	148.0
73.5710220336914	172.0
74.10803985595703	152.0
74.32579803466797	184.0
74.39273071289062	188.0
74.65389251708984	144.0
74.69172668457031	196.0
74.83972930908203	156.0
74.90345001220703	164.0
75.37444305419922	152.0
75.56290435791016	168.0
75.65290069580078	188.0
75.69445037841797	152.0
75.88158416748047	140.0
76.27391815185547	204.0
76.4008560180664	144.0
76.60453796386719	164.0
76.63240814208984	196.0
77.28057861328125	204.0
77.59016418457031	148.0
77.6866226196289	176.0
78.13811492919922	160.0
78.44454193115234	164.0
78.6297378540039	140.0
79.67623138427734	236.0
80.23861694335938	184.0
80.63668060302734	196.0
81.32803344726562	316.0
81.63884735107422	208.0
81.66941833496094	156.0
82.24239349365234	220.0
82.5669937133789	236.0
82.6236801147461	164.0
82.83004760742188	184.0
83.232666015625	208.0
83.44623565673828	184.0
83.55982971191406	160.0
83.72728729248047	188.0
85.03449249267578	140.0
85.22156524658203	140.0
85.50130462646484	168.0
85.55335235595703	188.0
85.66886138916016	140.0
85.82736206054688	168.0
86.14664459228516	180.0
86.22055053710938	140.0
86.74991607666016	180.0
87.12849426269531	168.0
87.7295913696289	152.0
87.88439178466797	208.0
88.32901763916016	196.0
89.22352600097656	216.0
89.36457824707031	164.0
89.59426879882812	164.0
89.77898406982422	152.0
90.32671356201172	240.0
90.95960235595703	144.0
91.05240631103516	248.0
91.13812255859375	152.0
91.42335510253906	156.0
91.46522521972656	172.0
91.85775756835938	148.0
92.12310028076172	212.0
92.3448257446289	160.0
92.49215698242188	188.0
92.60895538330078	176.0
92.92909240722656	168.0
92.97322082519531	152.0
93.06871795654297	464.0
93.51742553710938	176.0
94.06812286376953	136.0
94.46646881103516	200.0
95.07022094726562	184.0
95.50033569335938	180.0
95.85660552978516	160.0
95.8741455078125	172.0
95.92481994628906	164.0
96.04295349121094	680.0
96.06131744384766	160.0
96.07892608642578	164.0
96.8275146484375	208.0
96.99209594726562	232.0
97.0524673461914	1308.0
97.7875747680664	168.0
98.01010131835938	176.0
98.04157257080078	132.0
98.06077575683594	2944.0
98.1323013305664	224.0
98.15596771240234	176.0
98.267333984375	104.0
98.34732818603516	156.0
98.4480209350586	160.0
98.5230712890625	224.0
98.9839096069336	200.0
99.06709289550781	160.0
99.172119140625	156.0
99.67420196533203	140.0
100.07598876953125	160.0
100.55641174316406	212.0
100.94197082519531	204.0
101.10601043701172	160.0
101.14403533935547	168.0
101.34630584716797	188.0
101.67316436767578	172.0
102.3344955444336	168.0
102.51577758789062	152.0
102.71112823486328	184.0
102.73151397705078	164.0
102.8826675415039	180.0
103.05499267578125	10500.0
103.87850189208984	164.0
104.00228118896484	172.0
104.05644989013672	660.0
104.1565933227539	224.0
104.52253723144531	180.0
104.94213104248047	152.0
105.05633544921875	144.0
105.07217407226562	168.0
105.27881622314453	164.0
105.63648986816406	152.0
105.84524536132812	160.0
105.91897583007812	144.0
106.39472198486328	184.0
106.69466400146484	176.0
107.0572509765625	348.0
107.21336364746094	148.0
107.2607650756836	156.0
107.2793197631836	200.0
107.4546127319336	144.0
107.74365234375	284.0
107.79385375976562	148.0
108.08209991455078	428.0
108.14067077636719	200.0
108.81021881103516	144.0
108.87667083740234	160.0
108.89535522460938	168.0
108.93067169189453	188.0
109.06415557861328	388.0
109.08546447753906	228.0
109.13225555419922	244.0
109.22583770751953	148.0
109.2799301147461	176.0
109.50057983398438	180.0
109.5359878540039	148.0
109.89456176757812	164.0
110.0605697631836	1104.0
110.09686279296875	4520.0
110.8707504272461	124.0
110.98009490966797	156.0
111.06227111816406	148.0
111.09677124023438	260.0
111.12061309814453	164.0
111.40605163574219	108.0
111.90035247802734	188.0
112.07827758789062	184.0
112.10887908935547	208.0
112.30916595458984	208.0
113.22633361816406	160.0
113.32599639892578	144.0
113.88391876220703	156.0
114.1878433227539	196.0
114.97611999511719	172.0
115.06410217285156	128.0
115.13836669921875	140.0
115.17467498779297	144.0
116.06066131591797	168.0
116.10784149169922	216.0
116.1893539428711	152.0
116.2859115600586	160.0
116.33098602294922	208.0
116.74781036376953	144.0
116.81878662109375	204.0
117.07276153564453	200.0
118.04167938232422	176.0
118.09358215332031	184.0
118.22772216796875	228.0
118.39874267578125	184.0
118.52438354492188	192.0
119.07539367675781	148.0
119.24050903320312	180.0
120.08199310302734	664.0
120.18433380126953	144.0
120.33184051513672	144.0
120.55900573730469	144.0
120.80169677734375	140.0
120.91329193115234	144.0
120.9986572265625	152.0
121.0649642944336	17804.0
121.71903228759766	108.0
121.78589630126953	140.0
122.00123596191406	148.0
122.06809997558594	1328.0
122.32901000976562	168.0
122.55585479736328	144.0
122.66163635253906	144.0
122.84465789794922	176.0
123.06746673583984	288.0
123.2398452758789	180.0
123.32823944091797	204.0
123.98556518554688	184.0
124.16070556640625	184.0
124.43141174316406	236.0
124.65796661376953	148.0
125.01821899414062	172.0
125.57295227050781	196.0
126.7398681640625	148.0
126.82951354980469	200.0
126.97748565673828	196.0
127.54071807861328	112.0
128.15765380859375	188.0
129.23013305664062	160.0
129.44290161132812	152.0
129.53575134277344	176.0
129.7941131591797	232.0
130.5957794189453	144.0
130.8119354248047	252.0
130.83697509765625	196.0
130.8734130859375	188.0
131.89544677734375	200.0
132.93292236328125	168.0
133.29344177246094	164.0
133.92379760742188	176.0
134.29026794433594	164.0
135.03627014160156	220.0
135.1010284423828	156.0
135.19126892089844	200.0
135.90032958984375	164.0
136.6275177001953	164.0
136.7880859375	148.0
137.1468048095703	200.0
137.2190704345703	188.0
137.8282470703125	276.0
137.97314453125	144.0
138.04348754882812	504.0
138.06350708007812	180.0
138.0922393798828	78248.0
138.16209411621094	124.0
138.3041534423828	144.0
138.35577392578125	108.0
138.4766387939453	188.0
138.6667938232422	120.0
138.70892333984375	156.0
138.76222229003906	96.0
139.0947265625	6532.0
139.12705993652344	128.0
139.229736328125	160.0
139.9660186767578	124.0
140.044189453125	172.0
140.0988311767578	692.0
140.24008178710938	136.0
140.26345825195312	112.0
140.28436279296875	116.0
140.33596801757812	160.0
140.40341186523438	188.0
141.07870483398438	164.0
141.59689331054688	148.0
141.9374237060547	184.0
142.43890380859375	160.0
142.6337432861328	204.0
142.66464233398438	152.0
142.823974609375	144.0
143.19764709472656	152.0
143.4532470703125	176.0
145.45237731933594	192.0
145.62525939941406	172.0
146.79727172851562	148.0
147.01438903808594	200.0
147.57962036132812	176.0
149.05575561523438	168.0
149.18699645996094	168.0
149.53726196289062	176.0
150.27806091308594	204.0
150.71755981445312	168.0
151.10386657714844	216.0
151.6082763671875	184.0
151.81910705566406	156.0
152.3713836669922	180.0
152.88035583496094	144.0
154.085693359375	384.0
154.19976806640625	172.0
154.25662231445312	184.0
154.56329345703125	228.0
154.91485595703125	156.0
154.9866943359375	188.0
155.094482421875	116.0
155.26522827148438	112.0
155.67877197265625	144.0
155.7160186767578	160.0
155.75070190429688	228.0
155.83773803710938	156.0
155.86708068847656	396.0
155.89048767089844	104.0
155.9182586669922	160.0
155.9810791015625	108.0
156.0687713623047	332.0
156.10304260253906	87516.0
156.28074645996094	128.0
156.5108184814453	376.0
156.77664184570312	148.0
156.9462432861328	144.0
157.0361328125	280.0
157.05935668945312	216.0
157.10574340820312	5236.0
157.31956481933594	192.0
157.5520782470703	148.0
157.64077758789062	132.0
157.95359802246094	148.0
158.10829162597656	872.0
158.18887329101562	208.0
158.2633514404297	112.0
158.3572540283203	140.0
158.3898162841797	156.0
158.4224395751953	104.0
158.7482147216797	176.0
159.1070098876953	160.0
159.2551727294922	172.0
160.44036865234375	220.0
160.50843811035156	196.0
160.73797607421875	184.0
161.2202911376953	168.0
161.8653564453125	168.0
162.3874053955078	164.0
164.2033233642578	184.0
166.25511169433594	152.0
167.53298950195312	204.0
167.62832641601562	160.0
167.9144744873047	144.0
168.73043823242188	188.0
171.38818359375	176.0
171.41944885253906	172.0
176.10240173339844	168.0
176.13937377929688	168.0
176.4353485107422	156.0
179.01968383789062	204.0
179.11822509765625	168.0
179.17416381835938	216.0
180.8939666748047	148.0
181.12156677246094	180.0
181.909912109375	152.0
183.10104370117188	204.0
183.2222442626953	140.0
183.57533264160156	328.0
185.04794311523438	188.0
185.36485290527344	144.0
187.24473571777344	152.0
187.95281982421875	160.0
188.10906982421875	200.0
191.24758911132812	168.0
192.7146759033203	140.0
192.81692504882812	140.0
194.10971069335938	160.0
194.59805297851562	248.0
195.8856658935547	140.0
196.03053283691406	164.0
196.16989135742188	184.0
197.09925842285156	188.0
199.28758239746094	160.0
199.6726837158203	176.0
201.6317901611328	160.0
202.0533905029297	188.0
202.86614990234375	148.0
206.97164916992188	164.0
208.7909698486328	208.0
213.44680786132812	148.0
213.7813262939453	176.0
213.8046112060547	216.0
215.79397583007812	196.0
215.9665069580078	164.0
216.5548095703125	148.0
216.8126220703125	216.0
218.81590270996094	204.0
219.09585571289062	208.0
220.75741577148438	204.0
223.59349060058594	220.0
228.1400146484375	132.0
228.512939453125	220.0
229.6455841064453	140.0
229.85072326660156	152.0
230.72056579589844	160.0
234.9540557861328	172.0
236.03526306152344	164.0
237.08468627929688	244.0
237.53076171875	116.0
237.76300048828125	140.0
241.2497100830078	160.0
243.28189086914062	148.0
243.41998291015625	156.0
244.92063903808594	164.0
245.89569091796875	148.0
246.02139282226562	160.0
246.06822204589844	180.0
246.87750244140625	168.0
248.17385864257812	148.0
251.01950073242188	152.0
252.0106201171875	156.0
255.16416931152344	152.0
256.90618896484375	184.0
256.9923095703125	208.0
257.7107238769531	168.0
258.15045166015625	112.0
258.22857666015625	140.0
259.433837890625	176.0
260.8771057128906	180.0
260.9285583496094	176.0
262.3740539550781	152.0
262.8223571777344	144.0
263.0547180175781	148.0
263.3453369140625	200.0
263.7459716796875	156.0
263.83648681640625	188.0
265.7959899902344	144.0
266.01666259765625	192.0
266.6662902832031	152.0
266.79632568359375	152.0
267.0044250488281	184.0
267.0629577636719	144.0
267.4664306640625	144.0
269.053955078125	144.0
271.4555358886719	228.0
271.5637512207031	180.0
273.2291564941406	208.0
273.82635498046875	152.0
274.137939453125	232.0
276.7970886230469	148.0
276.86993408203125	168.0
277.16424560546875	156.0
279.0932312011719	140.0
279.1264953613281	164.0
280.2082214355469	144.0
281.74285888671875	152.0
283.4056396484375	152.0
283.6636962890625	196.0
285.11029052734375	188.0
286.14398193359375	1164.0
287.1509704589844	292.0
288.1563720703125	208.0
288.25823974609375	264.0
289.5111389160156	108.0
290.0921630859375	188.0
291.2842712402344	152.0
292.2078857421875	144.0
294.0411376953125	164.0
294.17083740234375	164.0
294.8129577636719	176.0
296.3767395019531	176.0
296.6954650878906	176.0
297.31817626953125	108.0
297.77978515625	364.0
297.9240417480469	172.0
298.8282165527344	180.0
300.18878173828125	224.0
301.8412780761719	108.0
302.2447509765625	220.0
302.2890319824219	172.0
302.3271179199219	184.0
302.5099792480469	128.0
302.5743713378906	224.0
303.00677490234375	96.0
303.09503173828125	212.0
303.1291809082031	292.0
303.1542663574219	188.0
303.1885070800781	136.0
303.2724609375	104.0
303.3453674316406	140.0
303.37310791015625	104.0
303.40252685546875	204.0
303.4968566894531	116.0
303.5758056640625	208.0
303.65777587890625	132.0
303.7818603515625	216.0
303.83538818359375	160.0
303.92431640625	116.0
303.9547119140625	192.0
304.00177001953125	236.0
304.0275573730469	128.0
304.05621337890625	304.0
304.15673828125	165300.0
304.2489318847656	180.0
304.2776794433594	156.0
304.3167724609375	132.0
304.3877868652344	172.0
304.4441223144531	192.0
304.4736328125	244.0
304.5192565917969	444.0
304.63330078125	168.0
304.66937255859375	156.0
304.72802734375	3648.0
304.808837890625	184.0
304.84765625	164.0
304.9367980957031	96.0
305.021240234375	208.0
305.07305908203125	280.0
305.1585388183594	47296.0
305.2867736816406	116.0
305.31982421875	108.0
305.38165283203125	124.0
305.4071960449219	256.0
305.5877990722656	108.0
305.7812805175781	140.0
305.9163513183594	148.0
305.9942932128906	168.0
306.1600036621094	3992.0
306.3375244140625	116.0
306.6246337890625	96.0
306.6753234863281	188.0
306.7003479003906	96.0
306.7972106933594	152.0
306.8560485839844	160.0
306.90069580078125	156.0
306.9625549316406	144.0
307.02178955078125	104.0
307.0517883300781	200.0
307.1629333496094	628.0
307.21844482421875	236.0
307.3044128417969	300.0
307.36639404296875	248.0
307.4234924316406	144.0
308.1933288574219	176.0
308.24566650390625	176.0
308.34063720703125	108.0
309.114990234375	124.0
310.8334655761719	160.0
315.2633972167969	140.0
315.4083251953125	208.0
358.7603759765625	204.0
714.1383666992188	196.0
898.4165649414062	164.0
901.2942504882812	140.0
1011.2893676757812	144.0
1177.546630859375	180.0
1203.760009765625	180.0
1225.819091796875	156.0
1236.7418212890625	184.0
1252.0120849609375	180.0
1268.0989990234375	192.0
1271.57421875	180.0
1272.333740234375	152.0
1278.176025390625	176.0
1302.698974609375	172.0
1312.9339599609375	164.0
1314.65087890625	200.0
1324.693603515625	144.0
1326.5196533203125	172.0
1329.9796142578125	216.0
1346.0106201171875	188.0
1354.3330078125	204.0
1402.5172119140625	176.0
1411.378662109375	188.0
1438.0020751953125	204.0
1442.42822265625	160.0
1445.763671875	176.0
1448.2318115234375	176.0
1448.41357421875	168.0
1464.4705810546875	152.0
1469.02880859375	192.0
1471.6846923828125	160.0
1477.37841796875	184.0
1482.8455810546875	156.0
1499.005615234375	180.0
1505.517822265625	212.0
1505.7493896484375	160.0
1507.7117919921875	148.0
1513.350830078125	156.0
1514.799072265625	148.0
1532.3016357421875	160.0
1533.0262451171875	164.0
1534.7177734375	232.0
1545.5748291015625	140.0
1558.67724609375	224.0
1565.9146728515625	176.0
1566.97021484375	140.0
1572.7032470703125	148.0
1580.21044921875	148.0
1583.43212890625	152.0
1593.6651611328125	172.0
1607.56005859375	152.0
1609.9708251953125	244.0
1626.99365234375	200.0
1643.8638916015625	208.0
1646.16455078125	164.0
1647.529541015625	148.0
1648.2808837890625	160.0
1676.8546142578125	164.0
1677.31103515625	148.0
1687.1558837890625	140.0
1699.50634765625	152.0
1702.5189208984375	292.0
1707.77880859375	176.0
1709.7698974609375	172.0
1716.5330810546875	164.0
1718.99951171875	180.0
1724.7724609375	156.0
1728.4112548828125	228.0
1734.4486083984375	144.0
1740.9947509765625	192.0
1746.845947265625	164.0
1767.2020263671875	208.0
1768.8004150390625	172.0
1772.292724609375	164.0
1779.144775390625	164.0
1779.8248291015625	140.0
1785.328857421875	244.0
1787.036376953125	164.0
1795.2828369140625	248.0
1799.552490234375	164.0
1811.849609375	184.0
1819.533203125	264.0
1822.53125	160.0
1825.2342529296875	168.0
1825.8125	176.0
1828.730712890625	168.0
1839.7607421875	196.0
1846.528076171875	196.0
1850.06201171875	156.0
1850.3016357421875	188.0
1851.5689697265625	140.0
1851.6632080078125	200.0
1851.825927734375	164.0
1852.73388671875	148.0
1854.5162353515625	236.0
1863.1229248046875	144.0
1867.17138671875	156.0
1870.11376953125	204.0
1883.849853515625	176.0
1893.1822509765625	168.0
1898.503173828125	156.0
1900.125244140625	144.0
1901.93017578125	208.0
1909.321533203125	224.0
1911.860595703125	160.0
1913.7357177734375	144.0
1914.13623046875	172.0
1915.2509765625	160.0
1923.997314453125	220.0
1925.8135986328125	148.0
1929.0869140625	148.0
1932.7109375	196.0
1933.12548828125	132.0
1934.2249755859375	160.0
1938.227294921875	168.0
1939.953857421875	172.0
1942.268798828125	180.0
1947.78125	188.0
1950.8040771484375	196.0
1956.3636474609375	196.0
1958.9967041015625	156.0
1960.1949462890625	188.0
1960.5826416015625	184.0
1961.137939453125	172.0
1966.2532958984375	176.0
1966.5975341796875	152.0
1967.356689453125	176.0
1972.144287109375	188.0
1972.3475341796875	188.0
1975.6016845703125	196.0
1979.6466064453125	172.0
1985.7437744140625	152.0
1986.4444580078125	144.0
1992.0369873046875	168.0
1992.8453369140625	140.0
1996.125244140625	144.0
1996.81005859375	168.0
1998.1087646484375	140.0
2000.7696533203125	152.0
2000.86767578125	192.0
2001.9183349609375	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079170
PEPMASS=207.083603
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=diphenylcyclopropenone [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=O=c1c(c1c2ccccc2)c3ccccc3
INCHI=InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
INCHIAUX=HCIBTBXNLVOFER-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079170
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079170
SCANS=1345
50.504005432128906	164.0
51.379058837890625	148.0
54.072715759277344	152.0
55.658966064453125	168.0
56.50556182861328	148.0
62.627994537353516	140.0
63.07453536987305	148.0
63.31344223022461	196.0
68.07640075683594	160.0
68.69962310791016	228.0
69.04210662841797	156.0
69.6337661743164	184.0
71.3818359375	180.0
72.24708557128906	148.0
76.48430633544922	176.0
77.14717102050781	156.0
78.83805084228516	220.0
84.06810760498047	144.0
84.53775787353516	156.0
86.59233093261719	212.0
88.0168228149414	148.0
91.00507354736328	156.0
91.9454345703125	144.0
93.15553283691406	160.0
93.47276306152344	180.0
95.63838195800781	164.0
95.70457458496094	140.0
100.42462158203125	208.0
104.44918823242188	176.0
104.94813537597656	168.0
109.02405548095703	212.0
110.98626708984375	176.0
111.45433807373047	192.0
111.50687408447266	220.0
113.96240234375	212.0
115.85479736328125	152.0
117.91400909423828	140.0
118.02426147460938	168.0
125.26077270507812	172.0
125.61965942382812	184.0
125.97013092041016	168.0
126.33226776123047	152.0
128.0629119873047	148.0
128.4979705810547	140.0
129.03775024414062	140.0
131.21275329589844	160.0
138.53700256347656	200.0
139.0528564453125	140.0
141.265380859375	168.0
142.54090881347656	172.0
142.69065856933594	140.0
143.5549774169922	200.0
145.46902465820312	168.0
147.5045166015625	164.0
147.6858673095703	144.0
147.86248779296875	156.0
150.0446319580078	180.0
150.95205688476562	160.0
151.0542449951172	796.0
151.5860595703125	148.0
152.06134033203125	704.0
152.81622314453125	156.0
153.06129455566406	184.0
154.0439453125	188.0
155.05592346191406	188.0
156.5514678955078	196.0
160.9397430419922	160.0
160.982666015625	188.0
161.5386962890625	228.0
162.15650939941406	160.0
164.2490692138672	260.0
165.99072265625	140.0
166.17796325683594	204.0
166.77886962890625	148.0
167.93751525878906	148.0
168.06134033203125	216.0
169.06549072265625	176.0
170.24085998535156	148.0
171.7190704345703	180.0
171.8025360107422	184.0
172.54161071777344	144.0
172.81883239746094	140.0
173.0413055419922	160.0
176.06219482421875	1612.0
177.0696258544922	2648.0
177.43243408203125	200.0
177.7090606689453	172.0
177.775390625	176.0
177.87890625	140.0
177.98509216308594	196.0
178.027587890625	216.0
178.07847595214844	35488.0
178.36087036132812	144.0
178.72494506835938	104.0
179.08372497558594	6764.0
179.2680206298828	136.0
180.0861358642578	1128.0
180.306640625	124.0
180.3939971923828	120.0
180.4282989501953	168.0
183.87460327148438	144.0
184.0338592529297	164.0
194.10397338867188	152.0
197.06553649902344	208.0
200.33111572265625	172.0
205.07455444335938	264.0
206.599365234375	144.0
206.75228881835938	184.0
206.90557861328125	148.0
207.00865173339844	204.0
207.04124450683594	332.0
207.080810546875	48736.0
207.1715545654297	144.0
207.335693359375	224.0
207.5823211669922	104.0
207.66493225097656	144.0
207.70509338378906	180.0
208.08302307128906	5536.0
209.0874786376953	680.0
209.55931091308594	104.0
209.59837341308594	108.0
209.736328125	132.0
219.10134887695312	140.0
228.03758239746094	220.0
236.05337524414062	168.0
267.0335693359375	412.0
268.0230407714844	172.0
269.04205322265625	128.0
1194.5096435546875	172.0
1318.3614501953125	144.0
1512.3583984375	164.0
1670.0137939453125	160.0
1797.4404296875	176.0
1807.9781494140625	148.0
1838.4017333984375	172.0
1894.31494140625	160.0
1965.633544921875	236.0
2003.323486328125	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079171
PEPMASS=292.06955
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Indatraline [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN[C@@H]1C[C@H](c2ccccc12)c3ccc(Cl)c(Cl)c3
INCHI=InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/m0/s1
INCHIAUX=SVFXPTLYMIXFRX-XJKSGUPXSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079171
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079171
SCANS=1213
45.17447280883789	180.0
45.6573371887207	216.0
45.72564697265625	160.0
45.75152587890625	156.0
46.0751953125	160.0
46.72459411621094	188.0
46.85393142700195	200.0
46.949344635009766	196.0
47.440208435058594	152.0
47.46900177001953	344.0
47.59798812866211	188.0
47.84685134887695	184.0
47.97908020019531	184.0
48.190269470214844	196.0
48.329132080078125	148.0
48.339603424072266	172.0
48.690338134765625	140.0
48.79872512817383	192.0
49.18321990966797	180.0
49.22929000854492	164.0
49.25862121582031	216.0
49.391414642333984	152.0
49.444583892822266	180.0
49.455780029296875	140.0
49.525787353515625	156.0
50.13413619995117	160.0
50.222957611083984	172.0
50.542236328125	144.0
51.05148696899414	144.0
51.17670440673828	172.0
51.55900192260742	192.0
51.759273529052734	192.0
52.070465087890625	212.0
52.09919357299805	184.0
52.30482864379883	208.0
52.88942337036133	148.0
52.928794860839844	184.0
53.1009635925293	188.0
53.12126922607422	140.0
53.52385330200195	176.0
53.77897262573242	196.0
53.80524826049805	212.0
53.93672180175781	160.0
54.126914978027344	196.0
54.7186279296875	160.0
54.88364791870117	168.0
55.08879470825195	224.0
55.153812408447266	164.0
55.523956298828125	280.0
55.63969802856445	304.0
56.01295852661133	184.0
56.10087585449219	160.0
56.11820983886719	256.0
56.31127166748047	164.0
56.363555908203125	164.0
56.89225387573242	204.0
57.604549407958984	208.0
58.08592224121094	164.0
58.11322784423828	160.0
58.21912384033203	168.0
58.24986267089844	172.0
58.26201248168945	168.0
58.49772644042969	164.0
58.91390609741211	136.0
58.929317474365234	196.0
59.0898551940918	152.0
59.295867919921875	156.0
59.46989059448242	164.0
59.88758850097656	156.0
60.01741409301758	180.0
60.25991439819336	160.0
60.332515716552734	240.0
60.35570526123047	196.0
61.23872375488281	172.0
62.321266174316406	148.0
62.662689208984375	156.0
62.77775573730469	188.0
62.83295822143555	164.0
62.92991638183594	184.0
64.0998306274414	284.0
64.39336395263672	176.0
65.16387176513672	152.0
65.24584197998047	244.0
65.31034088134766	216.0
65.7290267944336	148.0
66.50746154785156	200.0
66.61138916015625	176.0
66.83573913574219	160.0
66.89921569824219	224.0
67.1273193359375	152.0
67.16069793701172	176.0
67.53560638427734	140.0
67.77462005615234	168.0
67.94841003417969	152.0
68.1947250366211	172.0
68.73983764648438	176.0
69.318603515625	164.0
69.93973541259766	164.0
70.0479736328125	144.0
70.20720672607422	192.0
70.33143615722656	184.0
70.4266128540039	180.0
70.45333862304688	184.0
70.67753601074219	128.0
70.72925567626953	208.0
70.91014862060547	164.0
71.24909973144531	216.0
71.27430725097656	184.0
71.94969177246094	144.0
72.03333282470703	148.0
72.18624114990234	156.0
72.47061157226562	144.0
72.61300659179688	188.0
72.67237854003906	216.0
73.03932189941406	152.0
73.16014099121094	168.0
73.52166748046875	188.0
73.60001373291016	140.0
73.7229995727539	192.0
73.933349609375	148.0
74.02407836914062	148.0
75.00336456298828	140.0
75.11199188232422	152.0
75.220703125	160.0
75.33294677734375	180.0
75.54730224609375	164.0
75.7028579711914	156.0
75.73078918457031	172.0
76.01163482666016	192.0
76.14356994628906	184.0
76.16615295410156	156.0
76.33299255371094	148.0
76.59927368164062	172.0
76.90616607666016	144.0
77.11400604248047	148.0
77.53404235839844	148.0
78.6773681640625	168.0
78.93709564208984	140.0
79.20964813232422	184.0
79.33546447753906	144.0
79.48519897460938	164.0
79.54058837890625	104.0
79.76505279541016	152.0
79.85395812988281	148.0
79.98918151855469	224.0
80.0301284790039	144.0
80.09156799316406	200.0
80.21540832519531	300.0
80.38127899169922	204.0
80.42411041259766	168.0
80.51337432861328	236.0
80.72782135009766	140.0
80.79579162597656	148.0
80.97479248046875	200.0
81.14682006835938	144.0
81.29928588867188	172.0
81.94300842285156	216.0
82.17198181152344	192.0
82.61821746826172	224.0
82.68697357177734	200.0
82.79740905761719	156.0
82.95142364501953	148.0
83.07110595703125	144.0
83.29619598388672	148.0
83.36886596679688	212.0
83.84567260742188	184.0
84.06451416015625	148.0
84.33663177490234	140.0
84.52865600585938	160.0
84.61199951171875	336.0
84.66778564453125	152.0
84.76853942871094	144.0
84.95922088623047	256.0
85.0911865234375	188.0
85.21992492675781	172.0
85.46814727783203	176.0
85.64672088623047	168.0
86.03765106201172	192.0
86.2408447265625	164.0
86.50535583496094	180.0
86.9483413696289	172.0
88.22052764892578	164.0
89.39801025390625	168.0
89.46428680419922	196.0
90.14139556884766	184.0
90.1943130493164	232.0
90.52350616455078	164.0
90.73760986328125	176.0
90.98614501953125	208.0
91.05552673339844	412.0
91.26543426513672	144.0
91.48612213134766	156.0
91.80091857910156	188.0
92.16509246826172	212.0
92.37156677246094	180.0
92.45957946777344	180.0
92.70240783691406	176.0
93.06916046142578	256.0
93.130615234375	164.0
93.40604400634766	204.0
93.48821258544922	160.0
93.64993286132812	268.0
93.66534423828125	164.0
93.73277282714844	164.0
93.92362976074219	188.0
94.37666320800781	176.0
94.68321228027344	196.0
94.96617126464844	160.0
95.26509857177734	156.0
95.38751983642578	228.0
95.43029022216797	140.0
96.39395141601562	132.0
96.77851867675781	240.0
96.9528579711914	140.0
96.99597930908203	148.0
97.52201080322266	184.0
97.5947494506836	184.0
97.68095397949219	144.0
97.71276092529297	180.0
97.77266693115234	164.0
97.86036682128906	176.0
98.42076873779297	200.0
98.44599914550781	156.0
98.53291320800781	180.0
98.65939331054688	164.0
98.76419830322266	148.0
98.86707305908203	160.0
99.0294189453125	176.0
99.1681137084961	208.0
99.44884490966797	148.0
99.7735366821289	168.0
99.81489562988281	160.0
100.07196807861328	148.0
100.23330688476562	304.0
100.42867279052734	184.0
100.48652648925781	164.0
100.76513671875	156.0
101.01593017578125	204.0
101.08595275878906	148.0
101.47229766845703	172.0
101.85783386230469	304.0
101.9000244140625	152.0
101.9469223022461	140.0
102.24825286865234	180.0
102.26802062988281	184.0
102.31834411621094	152.0
102.40177154541016	148.0
102.7946548461914	152.0
103.38813781738281	176.0
103.46910095214844	164.0
104.27236938476562	144.0
104.33131408691406	160.0
104.41670989990234	176.0
104.89519500732422	156.0
104.98694610595703	168.0
105.20117950439453	192.0
105.37477111816406	144.0
105.45651245117188	148.0
105.6078109741211	192.0
105.85543823242188	156.0
106.51172637939453	164.0
107.00733184814453	168.0
107.12678527832031	220.0
107.93168640136719	144.0
108.24827575683594	144.0
108.29383850097656	168.0
108.90570068359375	220.0
109.34647369384766	148.0
109.44639587402344	172.0
110.1011734008789	244.0
110.53389739990234	140.0
110.56488037109375	104.0
111.0765151977539	208.0
111.15624237060547	164.0
111.31787109375	164.0
111.51744842529297	232.0
111.84136199951172	144.0
112.14089965820312	116.0
112.49320983886719	200.0
113.0189437866211	176.0
113.03375244140625	176.0
113.22850799560547	164.0
113.306884765625	200.0
114.03897094726562	152.0
114.26225280761719	144.0
114.45380401611328	148.0
114.53047180175781	148.0
114.8089599609375	156.0
114.95686340332031	164.0
115.01530456542969	160.0
115.05489349365234	21468.0
115.08973693847656	380.0
115.33274841308594	176.0
116.0348892211914	164.0
116.05805969238281	1156.0
116.24079895019531	156.0
116.4833984375	140.0
116.87252807617188	208.0
116.96788787841797	204.0
117.062744140625	164.0
117.81037139892578	148.0
118.01136016845703	192.0
118.40086364746094	220.0
118.45284271240234	140.0
118.50267028808594	156.0
118.63429260253906	196.0
119.35132598876953	208.0
119.41004180908203	144.0
119.58627319335938	196.0
119.68423461914062	172.0
119.93040466308594	168.0
120.1659164428711	180.0
121.09933471679688	160.0
121.49828338623047	196.0
121.94403839111328	200.0
122.060546875	168.0
122.59105682373047	160.0
122.71228790283203	152.0
123.00057220458984	212.0
123.02556610107422	152.0
123.50728607177734	192.0
123.59577178955078	188.0
123.66216278076172	148.0
123.76177978515625	140.0
124.07196044921875	156.0
124.1628646850586	152.0
124.19613647460938	180.0
124.37586212158203	176.0
124.42469787597656	144.0
124.5979232788086	212.0
124.99591827392578	244.0
125.01371765136719	308.0
125.74022674560547	144.0
125.7893295288086	196.0
126.09455108642578	216.0
126.14495849609375	196.0
126.23841094970703	168.0
126.3569564819336	152.0
127.01332092285156	168.0
127.43761444091797	160.0
128.0631561279297	168.0
128.08551025390625	152.0
128.80055236816406	140.0
128.8208770751953	152.0
128.84347534179688	152.0
129.0355682373047	168.0
129.36158752441406	112.0
129.46548461914062	172.0
129.52890014648438	160.0
129.6082000732422	168.0
129.92333984375	224.0
130.11851501464844	224.0
130.36610412597656	200.0
131.42494201660156	164.0
132.3208770751953	140.0
132.74705505371094	216.0
132.79063415527344	184.0
132.93057250976562	140.0
133.02008056640625	144.0
133.15325927734375	160.0
133.23594665527344	160.0
133.63137817382812	168.0
133.80628967285156	168.0
133.962890625	144.0
134.34556579589844	356.0
134.60867309570312	172.0
134.95867919921875	144.0
135.02659606933594	188.0
135.20973205566406	372.0
135.32778930664062	184.0
135.66139221191406	172.0
136.2235870361328	152.0
136.42745971679688	276.0
136.64840698242188	172.0
136.8369140625	140.0
137.4825897216797	188.0
138.21633911132812	156.0
138.2327117919922	212.0
138.35208129882812	148.0
139.90618896484375	248.0
140.05690002441406	240.0
140.22802734375	252.0
140.273681640625	188.0
140.3962860107422	152.0
140.6456756591797	164.0
141.07281494140625	220.0
141.45950317382812	204.0
141.73423767089844	160.0
141.7840576171875	164.0
142.00210571289062	144.0
142.9285888671875	148.0
143.06185913085938	140.0
143.3452911376953	180.0
143.52883911132812	172.0
143.65733337402344	168.0
143.7458953857422	176.0
144.0672149658203	172.0
144.25137329101562	172.0
144.3598175048828	192.0
144.4196014404297	140.0
144.7450714111328	204.0
144.77142333984375	140.0
145.08290100097656	196.0
145.15243530273438	144.0
145.19558715820312	152.0
145.27207946777344	140.0
145.41871643066406	164.0
145.533935546875	148.0
146.39718627929688	140.0
146.42367553710938	156.0
146.73452758789062	152.0
147.0447235107422	160.0
147.10462951660156	168.0
147.21469116210938	164.0
147.9739227294922	208.0
148.01266479492188	324.0
148.52159118652344	144.0
148.57496643066406	140.0
148.6623077392578	256.0
148.7890625	128.0
148.8322296142578	176.0
148.90264892578125	188.0
148.92897033691406	224.0
149.0149383544922	1908.0
150.0172576904297	260.0
150.31948852539062	144.0
151.0110321044922	140.0
151.11114501953125	148.0
151.43182373046875	156.0
151.69644165039062	160.0
151.83375549316406	148.0
152.00379943847656	176.0
152.08155822753906	140.0
152.20184326171875	176.0
152.30007934570312	160.0
152.40325927734375	164.0
152.52613830566406	192.0
153.18467712402344	108.0
153.78477478027344	144.0
154.1700439453125	140.0
154.31497192382812	228.0
154.83160400390625	128.0
154.89744567871094	152.0
155.01458740234375	152.0
155.2444305419922	156.0
155.2617950439453	152.0
155.74575805664062	172.0
155.82276916503906	156.0
156.04147338867188	216.0
156.48681640625	144.0
156.8330841064453	232.0
157.3544464111328	156.0
158.12185668945312	148.0
158.97616577148438	5408.0
159.5038604736328	196.0
159.7754364013672	184.0
159.92083740234375	144.0
159.98101806640625	516.0
160.02957153320312	168.0
160.07748413085938	164.0
160.78334045410156	156.0
160.9732666015625	3220.0
161.41957092285156	212.0
161.63241577148438	188.0
161.98085021972656	236.0
162.02232360839844	188.0
162.13380432128906	144.0
162.166748046875	168.0
162.8297576904297	200.0
162.9525604248047	132.0
163.05128479003906	232.0
163.06817626953125	148.0
163.8718719482422	144.0
164.9207000732422	140.0
165.06993103027344	1096.0
165.15676879882812	184.0
165.57566833496094	208.0
165.82418823242188	156.0
165.9087677001953	192.0
166.0722198486328	320.0
166.88436889648438	148.0
166.93836975097656	156.0
167.12356567382812	164.0
167.30630493164062	176.0
167.65660095214844	148.0
168.05886840820312	152.0
168.12594604492188	236.0
168.4951934814453	168.0
168.5417022705078	212.0
168.74847412109375	140.0
168.91656494140625	160.0
169.31349182128906	112.0
169.57164001464844	180.0
170.1604766845703	168.0
170.25135803222656	140.0
170.37603759765625	156.0
170.40570068359375	144.0
170.44618225097656	184.0
170.70872497558594	224.0
170.7945556640625	188.0
170.9610595703125	176.0
171.0006561279297	244.0
171.7817840576172	140.0
171.8704833984375	200.0
172.4554443359375	172.0
172.60707092285156	160.0
172.6515350341797	176.0
173.26925659179688	248.0
173.4736785888672	216.0
173.6414794921875	164.0
173.6755828857422	144.0
174.3739776611328	172.0
174.53695678710938	160.0
174.7289581298828	188.0
175.16859436035156	204.0
175.28187561035156	196.0
175.3688507080078	208.0
176.064208984375	148.0
176.13401794433594	160.0
177.52084350585938	184.0
177.80470275878906	172.0
177.84716796875	208.0
177.8949432373047	184.0
178.0784149169922	456.0
178.38638305664062	200.0
178.52197265625	216.0
179.07818603515625	164.0
179.80337524414062	224.0
180.8082275390625	184.0
180.92601013183594	184.0
181.0438232421875	188.0
181.19113159179688	148.0
181.29830932617188	140.0
181.3465576171875	164.0
181.5074005126953	180.0
181.7484130859375	136.0
181.96084594726562	168.0
181.9840545654297	152.0
182.2697296142578	168.0
182.91888427734375	392.0
182.94305419921875	248.0
182.9766845703125	22972.0
183.5105438232422	184.0
183.55369567871094	140.0
183.69393920898438	176.0
183.93678283691406	196.0
183.97967529296875	1548.0
184.09878540039062	188.0
184.63116455078125	188.0
184.7366485595703	212.0
184.9736785888672	14184.0
185.0305633544922	112.0
185.05209350585938	128.0
185.2426300048828	160.0
185.3987579345703	104.0
185.43707275390625	100.0
185.47317504882812	140.0
185.7931671142578	168.0
185.97691345214844	816.0
186.03269958496094	180.0
186.25192260742188	224.0
186.54811096191406	180.0
186.6422576904297	140.0
186.90182495117188	132.0
186.96922302246094	300.0
187.04835510253906	148.0
187.238037109375	240.0
187.83956909179688	272.0
187.9234161376953	140.0
188.03529357910156	220.0
188.06259155273438	104.0
188.16632080078125	164.0
188.3875274658203	172.0
188.50209045410156	172.0
188.57333374023438	152.0
188.6033935546875	148.0
188.8022003173828	100.0
189.069580078125	2768.0
189.8244171142578	140.0
190.0772705078125	3788.0
190.19313049316406	192.0
190.40968322753906	104.0
190.45838928222656	284.0
190.51332092285156	288.0
190.53530883789062	188.0
190.873291015625	132.0
190.91087341308594	200.0
190.97450256347656	160.0
191.01072692871094	208.0
191.03981018066406	308.0
191.08628845214844	122320.0
191.1695556640625	160.0
191.19935607910156	104.0
191.23085021972656	120.0
191.26683044433594	176.0
191.33103942871094	176.0
191.3708953857422	188.0
191.53619384765625	152.0
191.63185119628906	116.0
191.65760803222656	124.0
191.79287719726562	152.0
191.87832641601562	180.0
192.08900451660156	16764.0
192.1333770751953	100.0
192.21958923339844	136.0
192.38742065429688	172.0
192.65029907226562	116.0
192.9191131591797	172.0
193.00482177734375	184.0
193.09335327148438	688.0
193.27783203125	136.0
193.30035400390625	252.0
193.419677734375	196.0
193.52044677734375	216.0
193.60252380371094	144.0
193.6461181640625	120.0
193.68560791015625	260.0
194.0486297607422	144.0
194.20750427246094	96.0
195.22705078125	112.0
195.9824981689453	284.0
196.01820373535156	260.0
196.10012817382812	172.0
196.59375	144.0
196.63780212402344	164.0
196.71192932128906	204.0
197.1466827392578	192.0
197.279052734375	100.0
197.4793701171875	240.0
197.512939453125	220.0
197.64723205566406	156.0
197.7087860107422	172.0
197.8851318359375	156.0
197.9858856201172	184.0
198.3445587158203	164.0
198.91781616210938	144.0
199.03152465820312	448.0
199.68948364257812	160.0
200.19041442871094	176.0
200.43226623535156	140.0
200.4749298095703	152.0
202.74420166015625	160.0
203.728759765625	144.0
203.99588012695312	144.0
204.01577758789062	156.0
204.1295166015625	168.0
204.18069458007812	196.0
204.92933654785156	192.0
205.01197814941406	140.0
205.20497131347656	124.0
205.3597869873047	240.0
205.7393035888672	172.0
205.9591827392578	188.0
207.49874877929688	140.0
207.71095275878906	148.0
208.07827758789062	148.0
208.4602813720703	140.0
208.56088256835938	152.0
208.84840393066406	168.0
209.27719116210938	168.0
209.4586181640625	216.0
210.6961669921875	192.0
211.21070861816406	228.0
211.28013610839844	176.0
212.03787231445312	1632.0
212.0851593017578	156.0
212.134521484375	124.0
212.28810119628906	220.0
213.03976440429688	252.0
213.32110595703125	156.0
214.03599548339844	560.0
214.9497528076172	188.0
215.0387725830078	156.0
215.75296020507812	184.0
216.3760986328125	288.0
216.46099853515625	176.0
217.10569763183594	180.0
217.7513427734375	228.0
217.77484130859375	180.0
219.35984802246094	196.0
221.25144958496094	160.0
221.61572265625	156.0
222.06631469726562	152.0
222.13453674316406	196.0
222.46095275878906	172.0
223.06695556640625	188.0
223.1918182373047	144.0
223.9089813232422	148.0
224.11154174804688	256.0
224.41555786132812	176.0
224.46922302246094	180.0
224.5915069580078	180.0
224.74365234375	204.0
224.963134765625	184.0
225.04652404785156	16412.0
225.1002655029297	284.0
225.2060089111328	136.0
225.29141235351562	104.0
225.41920471191406	176.0
225.45193481445312	160.0
225.64222717285156	152.0
225.67303466796875	144.0
225.7490692138672	108.0
225.798828125	268.0
225.82504272460938	144.0
225.85646057128906	184.0
225.89443969726562	260.0
225.9491424560547	280.0
225.98178100585938	320.0
226.02426147460938	176.0
226.05564880371094	183592.0
226.20870971679688	108.0
226.26739501953125	164.0
226.317138671875	100.0
226.3392333984375	196.0
226.38589477539062	180.0
226.41221618652344	256.0
226.43751525878906	136.0
226.49705505371094	108.0
226.5476837158203	876.0
226.62149047851562	264.0
226.65347290039062	204.0
226.86746215820312	112.0
226.92160034179688	136.0
226.95555114746094	240.0
227.0571746826172	27124.0
227.11691284179688	200.0
227.18565368652344	104.0
227.41055297851562	244.0
227.4922637939453	128.0
227.54745483398438	244.0
227.6062469482422	140.0
227.66244506835938	96.0
227.72933959960938	100.0
227.7602996826172	96.0
227.85142517089844	108.0
227.90394592285156	152.0
228.0028533935547	176.0
228.0522918701172	39376.0
228.1392822265625	188.0
228.1688232421875	328.0
228.21644592285156	124.0
228.29367065429688	112.0
228.35061645507812	116.0
228.4014434814453	144.0
228.42593383789062	116.0
228.48655700683594	144.0
228.56204223632812	152.0
228.67372131347656	192.0
228.7340545654297	192.0
228.77317810058594	264.0
228.84523010253906	284.0
228.87307739257812	240.0
228.99856567382812	168.0
229.05471801757812	3964.0
229.3577423095703	100.0
229.55926513671875	136.0
229.6409149169922	132.0
229.88510131835938	104.0
229.9051055908203	172.0
229.93209838867188	180.0
230.26382446289062	160.0
230.5006103515625	248.0
230.65313720703125	116.0
230.9345245361328	96.0
230.98052978515625	204.0
231.0513153076172	180.0
231.2555694580078	156.0
231.74644470214844	176.0
231.87977600097656	148.0
232.07984924316406	160.0
232.5955810546875	196.0
232.7504119873047	152.0
232.884033203125	176.0
232.99131774902344	1332.0
233.2668914794922	168.0
233.63180541992188	192.0
233.66526794433594	200.0
233.99595642089844	288.0
234.6986541748047	148.0
234.98861694335938	236.0
235.36904907226562	156.0
235.98013305664062	156.0
236.3154296875	128.0
237.02691650390625	184.0
237.14950561523438	176.0
238.087646484375	184.0
238.27371215820312	156.0
238.29945373535156	212.0
238.52593994140625	128.0
238.8577880859375	112.0
240.8231964111328	188.0
240.98382568359375	236.0
242.1717071533203	148.0
243.8267822265625	192.0
244.42242431640625	188.0
245.9463653564453	140.0
245.99990844726562	4444.0
246.1377716064453	168.0
246.17739868164062	160.0
247.0017547607422	1272.0
247.60137939453125	140.0
247.74752807617188	156.0
247.99742126464844	2940.0
248.1016387939453	168.0
248.16294860839844	100.0
248.3138427734375	148.0
248.59092712402344	148.0
249.00381469726562	292.0
249.73764038085938	216.0
249.99246215820312	152.0
251.77044677734375	168.0
251.95716857910156	172.0
253.84527587890625	160.0
253.90980529785156	152.0
254.376220703125	216.0
254.69375610351562	152.0
255.4343719482422	156.0
255.953125	140.0
257.02093505859375	140.0
257.2986145019531	176.0
257.49310302734375	96.0
257.8919677734375	116.0
258.6028137207031	152.0
258.6341552734375	120.0
259.0075378417969	1736.0
259.3554992675781	160.0
259.5382080078125	184.0
259.6959228515625	184.0
259.7294006347656	104.0
259.8536682128906	136.0
259.9184265136719	180.0
259.9744567871094	176.0
260.0050964355469	132.0
260.2171630859375	124.0
260.2601623535156	184.0
260.4268798828125	204.0
260.53662109375	192.0
260.6671142578125	304.0
260.6993103027344	132.0
260.7741394042969	108.0
260.81817626953125	252.0
260.88873291015625	240.0
260.9345703125	352.0
261.02545166015625	222540.0
261.146240234375	400.0
261.20794677734375	108.0
261.23138427734375	108.0
261.315185546875	288.0
261.37945556640625	136.0
261.418701171875	136.0
261.5230712890625	128.0
261.5535583496094	3316.0
261.5812683105469	260.0
261.6718444824219	120.0
261.7453918457031	120.0
261.77056884765625	180.0
261.81787109375	224.0
261.84625244140625	204.0
261.8856201171875	188.0
261.92889404296875	164.0
261.9725646972656	160.0
262.0273742675781	39020.0
262.102294921875	160.0
262.2406005859375	172.0
262.29034423828125	188.0
262.3204040527344	220.0
262.3903503417969	168.0
262.46893310546875	156.0
262.5045471191406	128.0
262.6180419921875	200.0
262.64031982421875	284.0
262.7315979003906	272.0
262.76556396484375	172.0
262.8291931152344	108.0
262.8768615722656	104.0
262.9255065917969	176.0
262.98114013671875	136.0
263.0217590332031	157228.0
263.1070556640625	308.0
263.2615661621094	164.0
263.45672607421875	260.0
263.55316162109375	488.0
263.6166687011719	220.0
263.6664123535156	244.0
263.78912353515625	276.0
263.8375549316406	360.0
263.9305419921875	316.0
263.9767761230469	256.0
264.024658203125	13276.0
264.0910949707031	244.0
264.1089782714844	296.0
264.2641296386719	120.0
264.3717041015625	96.0
264.4190673828125	176.0
264.74365234375	120.0
264.9567565917969	104.0
265.0177917480469	660.0
265.2493896484375	112.0
265.4766540527344	100.0
265.50390625	140.0
265.6790771484375	164.0
265.7100524902344	124.0
265.7488708496094	140.0
265.7890319824219	216.0
265.8548278808594	156.0
265.8783874511719	284.0
266.0220947265625	204.0
266.12908935546875	100.0
266.42779541015625	116.0
266.9141540527344	144.0
267.0093994140625	208.0
272.5911865234375	140.0
274.66119384765625	96.0
275.58636474609375	200.0
276.6829528808594	100.0
278.90362548828125	152.0
291.117919921875	164.0
292.0666809082031	1272.0
292.1889343261719	180.0
293.0674133300781	124.0
294.0625305175781	832.0
294.1911926269531	152.0
295.0768737792969	112.0
304.7229919433594	152.0
350.4177551269531	140.0
385.5284423828125	144.0
427.1090393066406	124.0
441.25128173828125	140.0
476.95556640625	144.0
691.0717163085938	128.0
1272.5887451171875	152.0
1299.2813720703125	180.0
1424.7413330078125	164.0
1458.7099609375	192.0
1463.18310546875	200.0
1491.4642333984375	152.0
1524.030517578125	208.0
1533.0958251953125	160.0
1533.7816162109375	172.0
1547.6875	188.0
1550.5389404296875	148.0
1555.072021484375	160.0
1557.3568115234375	180.0
1572.7261962890625	140.0
1583.4156494140625	156.0
1589.7657470703125	184.0
1594.5625	224.0
1598.4671630859375	208.0
1607.463623046875	172.0
1628.486572265625	152.0
1677.367431640625	148.0
1683.85400390625	148.0
1686.1334228515625	168.0
1701.614990234375	140.0
1732.434326171875	156.0
1732.8154296875	296.0
1739.740234375	160.0
1744.3641357421875	152.0
1749.458251953125	164.0
1761.625	172.0
1761.8004150390625	168.0
1765.46142578125	192.0
1770.7113037109375	156.0
1773.029296875	204.0
1783.848388671875	168.0
1784.2098388671875	192.0
1785.6561279296875	152.0
1786.9683837890625	176.0
1787.7845458984375	188.0
1788.4578857421875	212.0
1803.0234375	212.0
1809.10498046875	156.0
1810.32421875	188.0
1826.5601806640625	180.0
1829.7769775390625	140.0
1846.9378662109375	144.0
1850.7803955078125	148.0
1855.038330078125	188.0
1855.441162109375	184.0
1858.8377685546875	192.0
1859.1005859375	108.0
1863.3111572265625	152.0
1865.07275390625	176.0
1865.41650390625	200.0
1865.734619140625	192.0
1866.3021240234375	208.0
1873.7296142578125	196.0
1899.3870849609375	144.0
1903.1099853515625	228.0
1907.662353515625	164.0
1908.1492919921875	144.0
1911.4892578125	188.0
1913.4127197265625	148.0
1918.892822265625	156.0
1925.9088134765625	208.0
1952.4298095703125	168.0
1954.6641845703125	184.0
1957.806884765625	164.0
1960.2205810546875	172.0
1960.9432373046875	196.0
1962.3448486328125	216.0
1964.6025390625	188.0
1982.9857177734375	140.0
1983.4908447265625	148.0
1993.35986328125	160.0
1995.9554443359375	176.0
2002.941650390625	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079172
PEPMASS=408.177338
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Trifluoperazine aka 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1
INCHI=InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
INCHIAUX=ZEWQUBUPAILYHI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079172
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079172
SCANS=1256
47.8647346496582	140.0
50.91788101196289	156.0
52.14946746826172	168.0
52.69417953491211	152.0
53.25769805908203	156.0
57.71636962890625	152.0
60.86391830444336	200.0
61.98859405517578	152.0
65.5032958984375	172.0
71.66632843017578	176.0
71.9581069946289	192.0
72.740234375	144.0
72.93557739257812	228.0
81.01775360107422	160.0
83.35611724853516	184.0
84.4828872680664	156.0
84.54692840576172	172.0
88.67909240722656	192.0
88.78970336914062	176.0
90.54430389404297	184.0
92.68359375	168.0
93.70576477050781	144.0
93.99497985839844	160.0
94.47413635253906	168.0
95.1873779296875	156.0
96.08270263671875	156.0
97.07520294189453	328.0
98.08252716064453	512.0
98.6158676147461	168.0
98.8670425415039	140.0
99.09000396728516	332.0
100.47850799560547	156.0
104.43294525146484	168.0
108.2938003540039	204.0
109.07604217529297	256.0
110.01344299316406	184.0
111.0923843383789	976.0
112.95331573486328	192.0
113.10750579833984	6248.0
113.43611145019531	208.0
114.1103744506836	556.0
114.94935607910156	104.0
117.07267761230469	136.0
118.5404281616211	144.0
119.52529907226562	208.0
120.50934600830078	140.0
120.56546783447266	152.0
121.09053039550781	188.0
122.4103775024414	160.0
123.68868255615234	180.0
126.42984771728516	112.0
126.96617889404297	168.0
127.69383239746094	160.0
130.82322692871094	196.0
131.06590270996094	176.0
135.50375366210938	152.0
135.75408935546875	232.0
138.1113739013672	156.0
139.12448120117188	612.0
141.07623291015625	172.0
141.1093292236328	260.0
141.1390380859375	10572.0
141.1941375732422	212.0
141.22047424316406	224.0
142.14256286621094	1752.0
143.14752197265625	176.0
148.74720764160156	148.0
151.95388793945312	144.0
156.56396484375	160.0
156.8579559326172	192.0
162.9508056640625	148.0
167.07205200195312	204.0
171.41671752929688	160.0
172.97328186035156	172.0
176.8955078125	180.0
179.168701171875	188.0
179.80064392089844	148.0
181.70851135253906	148.0
186.5262908935547	144.0
192.52394104003906	188.0
196.66346740722656	172.0
206.09051513671875	292.0
206.5679473876953	144.0
206.765380859375	144.0
217.0147247314453	216.0
218.28024291992188	152.0
219.72935485839844	168.0
221.68972778320312	180.0
223.80508422851562	148.0
226.2289276123047	156.0
226.39060974121094	144.0
231.2134246826172	144.0
231.91000366210938	176.0
232.88699340820312	168.0
234.69769287109375	148.0
235.52471923828125	144.0
239.07652282714844	292.0
241.08570861816406	140.0
242.15614318847656	196.0
243.03652954101562	152.0
247.7411651611328	208.0
248.06771850585938	2216.0
249.07032775878906	780.0
250.06797790527344	180.0
254.38565063476562	200.0
256.054931640625	156.0
257.1101989746094	204.0
258.2571716308594	144.0
260.0282897949219	228.0
260.6679992675781	156.0
262.04913330078125	436.0
263.05609130859375	136.0
264.0609436035156	160.0
267.0328063964844	520.0
268.03131103515625	152.0
270.014404296875	172.0
270.0798034667969	168.0
270.99969482421875	168.0
272.2461853027344	184.0
274.0769348144531	160.0
275.0903015136719	516.0
276.09490966796875	156.0
277.0993957519531	168.0
279.8915710449219	164.0
280.0417785644531	6844.0
281.0433349609375	904.0
281.0782165527344	196.0
281.7760314941406	160.0
282.0395202636719	312.0
282.40447998046875	148.0
288.0567932128906	136.0
292.1566162109375	144.0
293.0451965332031	216.0
293.7747497558594	144.0
294.4676818847656	168.0
297.9203796386719	144.0
298.497802734375	172.0
299.47515869140625	144.0
303.3916931152344	108.0
305.1006774902344	188.0
307.11566162109375	160.0
308.0723571777344	1288.0
308.8223571777344	196.0
309.06591796875	96.0
310.0696716308594	108.0
311.5635070800781	172.0
313.040771484375	188.0
321.4527893066406	152.0
323.010498046875	300.0
324.8875732421875	156.0
325.1961669921875	144.0
329.8570556640625	148.0
331.25384521484375	156.0
333.2527770996094	168.0
336.304443359375	184.0
339.468994140625	152.0
339.9165344238281	168.0
342.2763977050781	152.0
344.29718017578125	188.0
345.25433349609375	144.0
346.0202941894531	228.0
348.1474914550781	340.0
350.1270751953125	168.0
351.1034851074219	160.0
352.11859130859375	140.0
352.2269287109375	156.0
353.1426696777344	176.0
356.68218994140625	152.0
356.73858642578125	180.0
364.0458068847656	144.0
367.353271484375	200.0
367.44482421875	180.0
368.15771484375	592.0
369.1642761230469	144.0
370.15472412109375	144.0
371.0551452636719	168.0
371.63555908203125	96.0
374.0400085449219	156.0
380.992919921875	176.0
384.12274169921875	164.0
384.5050964355469	224.0
388.1609802246094	732.0
388.303955078125	184.0
389.16253662109375	292.0
389.19476318359375	144.0
390.14947509765625	212.0
392.3974304199219	152.0
398.4685974121094	152.0
398.8580627441406	196.0
399.5022277832031	184.0
405.6972351074219	96.0
405.8484191894531	144.0
405.9432678222656	128.0
406.1324768066406	192.0
406.2444763183594	136.0
406.3384704589844	128.0
406.4120788574219	152.0
406.4751281738281	256.0
406.8330383300781	144.0
407.1429443359375	164.0
407.1868896484375	308.0
407.3348083496094	128.0
407.4256896972656	96.0
407.5033874511719	160.0
407.5459899902344	128.0
407.6642150878906	164.0
407.7427673339844	216.0
407.87176513671875	232.0
407.91278076171875	152.0
407.969482421875	276.0
408.0102233886719	184.0
408.0866394042969	484.0
408.17333984375	130796.0
408.31304931640625	132.0
408.38543701171875	148.0
408.4173889160156	264.0
408.6261291503906	204.0
408.7214660644531	152.0
408.7766418457031	120.0
408.8337707519531	496.0
408.9288330078125	148.0
409.0859375	156.0
409.1749572753906	24632.0
409.27789306640625	212.0
409.3130798339844	168.0
409.3644714355469	156.0
409.4288024902344	236.0
409.4876403808594	104.0
409.5909118652344	112.0
409.8125305175781	136.0
410.1731872558594	5848.0
410.5464782714844	104.0
410.75494384765625	240.0
410.89532470703125	116.0
410.9444274902344	156.0
411.0686950683594	136.0
411.1705627441406	1380.0
411.4700927734375	128.0
411.5281982421875	104.0
411.56353759765625	132.0
411.6080017089844	148.0
411.6498107910156	100.0
411.78826904296875	200.0
411.8383483886719	244.0
411.94085693359375	200.0
412.1940002441406	116.0
412.5775146484375	132.0
413.24334716796875	152.0
414.3841247558594	116.0
415.5029602050781	104.0
424.9490051269531	156.0
426.6903991699219	140.0
482.5047302246094	152.0
1327.903564453125	184.0
1505.4393310546875	172.0
1555.165771484375	160.0
1578.95947265625	184.0
1589.6302490234375	172.0
1602.6707763671875	180.0
1714.2484130859375	192.0
1748.8665771484375	172.0
1806.4049072265625	152.0
1822.33447265625	148.0
1840.7484130859375	132.0
1842.7227783203125	148.0
1890.3760986328125	204.0
1893.665771484375	160.0
1904.35986328125	184.0
1959.3740234375	160.0
1963.075927734375	140.0
1979.8487548828125	168.0
1988.1376953125	176.0
1998.712158203125	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079173
PEPMASS=288.16333
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Galanthamine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccc2CN(C)CC[C@]34C=C[C@H](O)C[C@@H]4Oc1c23
INCHI=InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
INCHIAUX=ASUTZQLVASHGKV-JDFRZJQESA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079173
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079173
SCANS=784
48.654170989990234	168.0
48.73472595214844	164.0
55.50312042236328	164.0
59.23674011230469	200.0
72.62816619873047	140.0
73.02901458740234	200.0
73.19068908691406	148.0
73.42073822021484	184.0
75.11189270019531	160.0
77.10166931152344	152.0
81.59554290771484	168.0
84.32920837402344	216.0
96.67855834960938	168.0
97.23316955566406	144.0
106.55883026123047	140.0
108.08045959472656	144.0
110.51700592041016	148.0
114.64749145507812	212.0
128.06056213378906	148.0
131.32666015625	144.0
136.96946716308594	184.0
140.7406005859375	144.0
143.05215454101562	176.0
147.0672149658203	164.0
148.04637145996094	188.0
150.09486389160156	172.0
150.48281860351562	144.0
151.10198974609375	208.0
152.10098266601562	192.0
154.07766723632812	160.0
157.07276916503906	172.0
159.07911682128906	376.0
159.12681579589844	188.0
160.09104919433594	196.0
161.09715270996094	360.0
162.06549072265625	148.0
162.10824584960938	168.0
163.07528686523438	172.0
164.0035400390625	132.0
164.05259704589844	196.0
166.0743408203125	336.0
166.27020263671875	152.0
168.053466796875	148.0
169.06381225585938	396.0
169.10130310058594	172.0
170.07078552246094	244.0
175.06700134277344	160.0
175.1105194091797	460.0
179.08663940429688	296.0
180.0887908935547	180.0
181.0613250732422	288.0
181.10153198242188	120.0
182.07252502441406	1304.0
183.04026794433594	580.0
183.07916259765625	224.0
184.07151794433594	184.0
185.05288696289062	152.0
185.09466552734375	488.0
186.0968780517578	144.0
186.119873046875	140.0
187.0737762451172	252.0
189.08998107910156	172.0
191.0922088623047	140.0
194.07000732421875	316.0
195.08444213867188	160.0
196.78329467773438	184.0
197.05859375	280.0
197.09291076660156	300.0
198.0670928955078	2576.0
199.07127380371094	528.0
200.08045959472656	344.0
201.09510803222656	184.0
203.10826110839844	412.0
208.08372497558594	232.0
209.0982666015625	672.0
209.16751098632812	164.0
210.06761169433594	240.0
210.09701538085938	328.0
211.08908081054688	196.0
212.08657836914062	168.0
213.0525360107422	124.0
213.09092712402344	5244.0
214.09458923339844	1056.0
215.0897674560547	152.0
216.07728576660156	336.0
217.9361114501953	152.0
218.06246948242188	140.0
223.0862274169922	148.0
225.09266662597656	1460.0
226.09266662597656	420.0
227.0969696044922	208.0
227.8871612548828	148.0
228.4132537841797	160.0
228.85865783691406	140.0
229.08534240722656	176.0
229.11766052246094	148.0
230.2850341796875	172.0
231.10130310058594	3244.0
232.10569763183594	596.0
237.1185302734375	176.0
239.11480712890625	144.0
240.12843322753906	156.0
242.0939483642578	308.0
251.85537719726562	168.0
254.1124725341797	232.0
255.1272735595703	136.0
257.1249694824219	268.0
258.1033935546875	140.0
266.0226745605469	180.0
269.1448974609375	172.0
270.1486511230469	1416.0
271.1531982421875	532.0
272.1539611816406	156.0
286.06500244140625	152.0
286.19293212890625	188.0
287.1084289550781	152.0
287.1600646972656	168.0
287.73590087890625	180.0
287.8417663574219	184.0
288.0342712402344	152.0
288.1598815917969	15932.0
288.9537658691406	152.0
289.1614990234375	2640.0
289.20233154296875	312.0
290.16741943359375	544.0
291.1918029785156	168.0
333.0775146484375	132.0
1973.9619140625	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079174
PEPMASS=358.208313
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Nalbuphine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OC1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC6CCC6)c54
INCHI=InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15?,16-,19?,20+,21-/m1/s1
INCHIAUX=NETZHAKZCGBWSS-OCKIPSRKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079174
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079174
SCANS=1014
45.58341598510742	172.0
45.6465950012207	140.0
46.269962310791016	144.0
46.67428970336914	176.0
46.96787643432617	160.0
47.36486053466797	188.0
47.52663040161133	184.0
47.56093978881836	164.0
48.081199645996094	152.0
48.21930694580078	168.0
48.864112854003906	148.0
48.93231201171875	144.0
49.233497619628906	188.0
49.77544021606445	184.0
49.851295471191406	168.0
49.8709716796875	160.0
49.927207946777344	188.0
50.50264358520508	156.0
50.87957763671875	160.0
51.49187469482422	144.0
51.61191177368164	152.0
51.770751953125	140.0
51.98004150390625	144.0
52.33220291137695	152.0
52.359561920166016	144.0
52.558494567871094	180.0
52.8937873840332	240.0
53.16336441040039	180.0
53.81840896606445	156.0
54.38788986206055	148.0
54.78639602661133	140.0
55.004642486572266	168.0
55.14052963256836	140.0
55.73477554321289	188.0
55.77043914794922	152.0
55.98468017578125	232.0
56.10686111450195	164.0
56.260520935058594	140.0
56.540035247802734	220.0
56.571468353271484	140.0
56.620880126953125	176.0
57.06053924560547	144.0
57.131221771240234	152.0
57.18840408325195	152.0
57.41741180419922	192.0
57.96617126464844	160.0
58.47795867919922	228.0
58.502315521240234	196.0
58.63253402709961	156.0
58.88962173461914	148.0
59.16333770751953	176.0
59.35272216796875	152.0
59.646507263183594	140.0
59.69882583618164	164.0
59.729583740234375	164.0
61.3852424621582	180.0
61.41487503051758	164.0
61.78665542602539	160.0
62.236473083496094	208.0
63.15121078491211	120.0
63.213775634765625	140.0
63.24700927734375	200.0
64.21942138671875	156.0
64.30558013916016	140.0
64.91510772705078	156.0
65.72306823730469	124.0
66.73004913330078	208.0
66.79021453857422	204.0
67.51436614990234	148.0
67.55198669433594	164.0
69.0521011352539	144.0
70.18299102783203	192.0
70.29141235351562	168.0
70.54360961914062	140.0
71.51986694335938	144.0
71.75739288330078	180.0
71.95478820800781	184.0
72.03077697753906	144.0
72.06625366210938	140.0
72.19979858398438	204.0
72.29960632324219	140.0
72.72500610351562	160.0
72.90333557128906	160.0
72.92713165283203	144.0
73.17208862304688	140.0
73.59261322021484	148.0
74.36869812011719	160.0
74.39616394042969	196.0
74.64529418945312	172.0
75.13810729980469	200.0
75.23454284667969	272.0
75.7879867553711	188.0
76.58885192871094	160.0
76.84686279296875	140.0
76.97602081298828	160.0
76.99348449707031	192.0
77.20494842529297	172.0
77.4990234375	156.0
77.51795196533203	240.0
78.21554565429688	196.0
78.49214172363281	144.0
79.66201782226562	232.0
79.79608154296875	248.0
79.96682739257812	208.0
80.06221008300781	216.0
80.0841293334961	216.0
80.12288665771484	128.0
80.5413818359375	172.0
80.79045867919922	180.0
81.25552368164062	216.0
81.50099182128906	192.0
81.82957458496094	144.0
81.84757995605469	176.0
82.08723449707031	284.0
82.25682830810547	156.0
83.33074188232422	172.0
83.39244079589844	172.0
84.44819641113281	224.0
84.87488555908203	204.0
85.17586517333984	176.0
85.2181167602539	172.0
85.3139419555664	144.0
86.27415466308594	140.0
86.48687744140625	172.0
87.51161193847656	148.0
88.30657196044922	188.0
88.35574340820312	236.0
88.48808288574219	176.0
88.64354705810547	144.0
88.6641616821289	208.0
88.87418365478516	168.0
88.90377044677734	172.0
89.06719207763672	188.0
89.10136413574219	212.0
89.57730865478516	156.0
89.76200866699219	140.0
89.83934020996094	144.0
89.87141418457031	164.0
89.8978271484375	212.0
89.971435546875	160.0
90.10153198242188	172.0
90.30022430419922	164.0
90.36454010009766	152.0
90.51774597167969	136.0
90.54058074951172	168.0
90.83246612548828	192.0
91.72236633300781	168.0
91.77193450927734	148.0
91.83677673339844	216.0
91.95315551757812	324.0
92.03142547607422	152.0
92.10208129882812	156.0
92.68196105957031	180.0
92.70282745361328	172.0
92.82550811767578	220.0
92.89628601074219	164.0
93.15370178222656	140.0
93.16715240478516	188.0
93.37281799316406	164.0
93.67115783691406	164.0
93.92752838134766	164.0
94.06688690185547	160.0
94.1881103515625	164.0
94.76654052734375	180.0
94.79754638671875	172.0
94.87679290771484	176.0
95.15055847167969	172.0
95.45365905761719	144.0
95.60539245605469	148.0
95.64237213134766	164.0
95.90142822265625	148.0
95.93650817871094	176.0
96.07887268066406	288.0
96.17644500732422	156.0
96.30921173095703	208.0
96.7198257446289	148.0
96.95093536376953	148.0
97.06596374511719	212.0
97.12934875488281	144.0
97.1656265258789	132.0
97.63804626464844	236.0
97.96372985839844	216.0
98.05821228027344	176.0
98.0973892211914	644.0
98.22499084472656	196.0
98.3532485961914	140.0
98.41839599609375	160.0
98.56060791015625	156.0
98.7405014038086	156.0
98.81764221191406	160.0
98.88096618652344	140.0
99.07105255126953	188.0
99.34661102294922	148.0
99.72586822509766	156.0
100.49654388427734	144.0
101.03597259521484	188.0
101.64907836914062	164.0
102.07291412353516	164.0
102.20622253417969	176.0
102.26403045654297	148.0
102.44727325439453	156.0
102.81417846679688	140.0
102.83845520019531	152.0
103.34770965576172	172.0
103.62509155273438	176.0
104.70381927490234	148.0
104.8870849609375	140.0
104.97474670410156	184.0
105.07877349853516	168.0
105.14642333984375	176.0
105.21551513671875	160.0
105.63126373291016	160.0
106.06682586669922	360.0
106.24080657958984	164.0
106.2919921875	160.0
106.33313751220703	212.0
106.62271881103516	156.0
106.66587829589844	176.0
107.04855346679688	152.0
107.13300323486328	168.0
107.16275024414062	152.0
107.84902954101562	168.0
107.99333953857422	136.0
108.03927612304688	144.0
108.08065032958984	168.0
108.4762191772461	260.0
109.08443450927734	152.0
109.105224609375	180.0
109.61307525634766	176.0
110.09500122070312	152.0
110.15969848632812	168.0
110.38960266113281	176.0
110.77718353271484	196.0
110.83336639404297	180.0
111.01992797851562	168.0
111.78668212890625	220.0
111.88981628417969	172.0
112.02880859375	152.0
112.0772705078125	152.0
112.115966796875	372.0
112.19740295410156	180.0
112.45053100585938	160.0
112.59831237792969	140.0
112.6781997680664	132.0
112.78386688232422	272.0
112.83920288085938	208.0
112.91321563720703	148.0
113.05072784423828	180.0
113.08621215820312	208.0
113.36625671386719	176.0
113.5761489868164	172.0
114.4772720336914	196.0
114.59868621826172	152.0
114.61360168457031	172.0
114.96331024169922	184.0
114.99958801269531	152.0
115.20884704589844	140.0
115.26012420654297	196.0
116.05851745605469	152.0
116.22028350830078	172.0
116.2816162109375	144.0
116.76286315917969	208.0
117.4614028930664	248.0
117.96817016601562	160.0
118.0649642944336	476.0
118.1692886352539	172.0
118.52438354492188	160.0
118.5655517578125	216.0
118.86264038085938	196.0
118.95610809326172	124.0
119.07538604736328	176.0
119.32205200195312	148.0
119.68863677978516	152.0
119.93263244628906	204.0
119.9675064086914	216.0
120.08086395263672	340.0
120.28750610351562	192.0
120.34930419921875	148.0
120.77544403076172	148.0
120.85201263427734	172.0
121.08624267578125	160.0
121.103759765625	156.0
121.28102111816406	120.0
121.31073760986328	140.0
121.41936492919922	212.0
121.64755249023438	148.0
121.71561431884766	208.0
121.777099609375	184.0
122.0813980102539	148.0
122.30836486816406	232.0
122.71674346923828	180.0
122.8314208984375	168.0
122.84686279296875	156.0
123.0457763671875	104.0
123.58032989501953	168.0
123.84376525878906	176.0
123.92129516601562	164.0
123.99053192138672	180.0
124.02767181396484	188.0
124.11381530761719	1188.0
124.17622375488281	176.0
124.3803482055664	140.0
124.4513931274414	188.0
125.1146469116211	340.0
125.25515747070312	152.0
125.3277359008789	140.0
125.35001373291016	208.0
126.03414916992188	200.0
126.09114837646484	148.0
126.22887420654297	196.0
126.45098876953125	176.0
126.57411193847656	148.0
127.30064392089844	172.0
127.33657836914062	156.0
127.3567886352539	152.0
127.75241088867188	148.0
127.7906494140625	172.0
127.82890319824219	156.0
128.1486358642578	208.0
128.277099609375	156.0
128.67413330078125	160.0
128.735107421875	144.0
129.07952880859375	200.0
129.31590270996094	164.0
129.39761352539062	168.0
129.76463317871094	152.0
130.06527709960938	160.0
130.26844787597656	168.0
130.5275421142578	164.0
130.55938720703125	152.0
130.8529052734375	192.0
130.87796020507812	152.0
130.93943786621094	176.0
131.0476837158203	120.0
131.0759735107422	304.0
131.21060180664062	216.0
131.55279541015625	204.0
131.69207763671875	160.0
132.01547241210938	232.0
132.08221435546875	380.0
132.4342041015625	240.0
132.505859375	120.0
133.0614471435547	148.0
133.08380126953125	120.0
133.24517822265625	160.0
133.4952392578125	132.0
133.53482055664062	144.0
134.05706787109375	164.0
134.0952911376953	200.0
134.50022888183594	192.0
134.57640075683594	156.0
135.5339813232422	160.0
135.60350036621094	208.0
135.62803649902344	148.0
136.025634765625	148.0
136.075927734375	1228.0
136.11386108398438	332.0
136.134765625	152.0
136.1630859375	164.0
136.56936645507812	164.0
136.94715881347656	164.0
137.0589599609375	1788.0
137.13514709472656	164.0
137.72544860839844	176.0
137.96922302246094	136.0
138.08944702148438	168.0
138.1649169921875	192.0
138.18128967285156	168.0
138.31419372558594	156.0
138.3881378173828	180.0
138.53713989257812	192.0
138.6496124267578	148.0
138.68710327148438	212.0
138.7926025390625	172.0
139.05064392089844	168.0
139.11871337890625	200.0
139.1374969482422	148.0
139.16961669921875	104.0
139.69679260253906	160.0
140.05929565429688	156.0
140.3680419921875	140.0
140.71495056152344	136.0
141.07421875	376.0
141.77931213378906	156.0
142.08929443359375	180.0
142.4325714111328	176.0
142.59808349609375	172.0
142.7727813720703	152.0
142.86439514160156	144.0
143.08572387695312	144.0
143.3238983154297	160.0
143.79013061523438	220.0
143.8485870361328	148.0
143.95362854003906	156.0
144.0665283203125	164.0
144.08226013183594	360.0
144.2642364501953	160.0
144.4015655517578	156.0
144.51535034179688	172.0
144.77386474609375	152.0
145.06675720214844	156.0
145.10345458984375	184.0
145.1764678955078	164.0
145.6901092529297	144.0
145.80062866210938	152.0
145.8583221435547	208.0
146.03623962402344	144.0
146.0609893798828	432.0
146.09878540039062	180.0
146.125244140625	168.0
146.179443359375	132.0
146.29371643066406	144.0
146.53695678710938	160.0
146.9412384033203	140.0
147.0441131591797	628.0
147.07757568359375	340.0
147.1021728515625	320.0
147.13748168945312	148.0
147.79730224609375	168.0
148.00303649902344	148.0
148.0760498046875	2340.0
148.11337280273438	808.0
148.2384796142578	164.0
148.77886962890625	172.0
149.06053161621094	1136.0
149.08006286621094	920.0
149.1146240234375	544.0
149.23562622070312	160.0
149.2696533203125	188.0
149.50318908691406	164.0
149.68576049804688	204.0
149.7028045654297	168.0
149.74420166015625	144.0
149.81727600097656	196.0
149.885498046875	144.0
150.06394958496094	152.0
150.0901336669922	332.0
150.1259002685547	156.0
150.56610107421875	140.0
150.64181518554688	172.0
150.70533752441406	204.0
151.06683349609375	120.0
151.09156799316406	152.0
151.14056396484375	148.0
151.51026916503906	168.0
152.0635528564453	540.0
152.21417236328125	192.0
152.42543029785156	144.0
152.5089874267578	144.0
152.57662963867188	208.0
152.63189697265625	156.0
153.0697021484375	400.0
153.3039093017578	156.0
153.4660186767578	136.0
153.5087127685547	136.0
153.66885375976562	156.0
154.0718994140625	264.0
154.1221923828125	180.0
154.17010498046875	200.0
154.21705627441406	196.0
154.58203125	132.0
154.632568359375	180.0
155.0164337158203	192.0
155.0560760498047	256.0
155.0866241455078	1280.0
155.1775360107422	160.0
155.22216796875	152.0
155.52870178222656	144.0
155.59185791015625	172.0
155.7805938720703	180.0
155.86383056640625	184.0
155.96945190429688	172.0
156.00424194335938	216.0
156.07998657226562	300.0
156.26531982421875	160.0
156.33753967285156	200.0
156.78330993652344	200.0
157.06524658203125	1732.0
157.3735809326172	168.0
157.4793701171875	164.0
157.5867919921875	204.0
157.74423217773438	160.0
157.8715057373047	208.0
158.06686401367188	256.0
158.096435546875	308.0
158.23956298828125	188.0
158.36477661132812	140.0
158.6428985595703	204.0
158.70558166503906	140.0
158.7356719970703	164.0
158.9002685546875	128.0
159.0775146484375	452.0
159.49774169921875	132.0
159.71009826660156	204.0
159.8308563232422	172.0
159.97972106933594	132.0
160.05487060546875	152.0
160.07876586914062	148.0
160.50584411621094	144.0
160.7516632080078	160.0
160.83639526367188	144.0
161.05966186523438	7300.0
161.1217498779297	160.0
161.18490600585938	156.0
161.34408569335938	172.0
161.7134552001953	184.0
161.89491271972656	112.0
162.06396484375	648.0
162.0952911376953	144.0
162.1260223388672	512.0
162.17849731445312	164.0
162.81825256347656	156.0
163.07498168945312	288.0
163.10086059570312	144.0
163.1974639892578	144.0
163.37295532226562	140.0
163.4798126220703	168.0
163.58090209960938	200.0
164.05921936035156	164.0
164.918212890625	208.0
165.06942749023438	1388.0
165.25550842285156	196.0
165.37603759765625	168.0
165.94729614257812	204.0
166.0181121826172	176.0
166.03704833984375	144.0
166.07522583007812	140.0
166.11976623535156	472.0
166.6197052001953	140.0
167.0820770263672	564.0
167.1250762939453	192.0
167.16737365722656	172.0
167.4505615234375	148.0
168.05165100097656	156.0
168.0809326171875	136.0
168.11053466796875	204.0
168.3041229248047	196.0
168.34544372558594	176.0
168.66580200195312	172.0
168.7200927734375	292.0
169.0672149658203	156.0
169.09979248046875	308.0
169.3592529296875	264.0
169.55615234375	164.0
169.62355041503906	152.0
169.80763244628906	164.0
169.8806915283203	208.0
169.93992614746094	148.0
170.06552124023438	132.0
170.10113525390625	408.0
170.35791015625	200.0
170.4800262451172	164.0
170.55279541015625	152.0
170.64901733398438	148.0
170.8649444580078	124.0
171.02658081054688	184.0
171.04518127441406	312.0
171.07933044433594	556.0
171.29959106445312	156.0
171.3421173095703	184.0
171.67752075195312	144.0
172.08065795898438	400.0
172.11630249023438	156.0
172.2621612548828	164.0
172.71697998046875	344.0
172.81378173828125	168.0
173.05958557128906	2020.0
173.09840393066406	324.0
173.2955322265625	192.0
173.9012908935547	236.0
173.9695281982422	140.0
174.0622100830078	308.0
174.10081481933594	156.0
174.12513732910156	196.0
174.2768096923828	168.0
174.32411193847656	144.0
174.43028259277344	140.0
174.60276794433594	164.0
174.9000701904297	204.0
175.0390625	152.0
175.0748748779297	1088.0
175.2464599609375	120.0
175.40383911132812	172.0
175.77503967285156	144.0
175.9333953857422	148.0
176.06919860839844	288.0
176.10440063476562	288.0
176.14993286132812	216.0
176.345458984375	196.0
176.38775634765625	268.0
176.4247589111328	172.0
176.530517578125	160.0
176.99624633789062	152.0
177.06199645996094	144.0
177.09158325195312	148.0
177.12600708007812	172.0
177.1498565673828	140.0
177.65003967285156	152.0
178.08287048339844	128.0
178.12355041503906	160.0
178.34922790527344	252.0
178.49012756347656	164.0
178.5832061767578	168.0
178.66566467285156	164.0
178.70558166503906	152.0
179.04629516601562	144.0
179.08811950683594	644.0
179.13067626953125	548.0
179.56332397460938	188.0
179.5846710205078	176.0
179.65402221679688	152.0
179.68995666503906	204.0
180.0677490234375	156.0
180.08644104003906	140.0
180.29750061035156	240.0
180.49949645996094	128.0
181.0636749267578	960.0
181.1005096435547	704.0
181.60670471191406	152.0
181.8293914794922	192.0
182.0669708251953	392.0
182.09710693359375	796.0
182.4702606201172	168.0
182.86949157714844	168.0
183.04034423828125	208.0
183.0804901123047	2196.0
183.34349060058594	188.0
184.05079650878906	248.0
184.0838165283203	664.0
184.10977172851562	448.0
184.6474609375	200.0
184.83682250976562	160.0
185.06016540527344	16308.0
185.14813232421875	224.0
185.47520446777344	112.0
185.58514404296875	192.0
185.84207153320312	204.0
185.87461853027344	188.0
185.9614715576172	156.0
186.06326293945312	1588.0
186.13143920898438	236.0
186.6768341064453	124.0
187.0751495361328	2896.0
187.14398193359375	196.0
187.200927734375	188.0
187.3433380126953	160.0
187.5526123046875	144.0
188.01353454589844	176.0
188.07615661621094	684.0
188.1460418701172	132.0
188.19915771484375	192.0
188.28379821777344	212.0
188.53514099121094	204.0
188.62806701660156	144.0
188.7374267578125	260.0
188.79757690429688	160.0
189.08990478515625	332.0
189.1121368408203	156.0
189.1474151611328	556.0
190.091064453125	128.0
190.8414306640625	200.0
191.02195739746094	168.0
191.0894012451172	324.0
191.63442993164062	252.0
191.9942169189453	144.0
192.06448364257812	156.0
192.0907440185547	140.0
192.1148223876953	176.0
192.13836669921875	336.0
192.21490478515625	164.0
192.34461975097656	224.0
192.53236389160156	148.0
192.5655059814453	152.0
192.88323974609375	156.0
193.06869506835938	976.0
193.0962371826172	156.0
193.281494140625	200.0
193.39512634277344	128.0
193.76602172851562	216.0
193.94508361816406	116.0
193.9918975830078	128.0
194.07260131835938	436.0
194.11044311523438	180.0
194.34825134277344	228.0
194.54808044433594	208.0
194.605224609375	164.0
194.71109008789062	272.0
194.9591522216797	140.0
195.08404541015625	720.0
195.2538299560547	188.0
195.45413208007812	184.0
195.5348358154297	148.0
195.63079833984375	112.0
195.6600799560547	200.0
196.08660888671875	536.0
196.12249755859375	156.0
196.37677001953125	212.0
196.43898010253906	160.0
196.68313598632812	196.0
196.76968383789062	164.0
197.0621337890625	800.0
197.0975341796875	620.0
197.1533203125	112.0
197.2451629638672	96.0
197.29751586914062	128.0
197.56336975097656	184.0
197.96331787109375	152.0
198.070068359375	388.0
198.09393310546875	844.0
198.12278747558594	368.0
198.2689666748047	184.0
198.4427490234375	160.0
198.4746856689453	124.0
199.07562255859375	3936.0
199.13587951660156	476.0
199.16676330566406	172.0
199.21299743652344	132.0
199.2726593017578	184.0
199.39715576171875	232.0
199.47866821289062	148.0
199.64456176757812	176.0
199.68955993652344	160.0
199.71205139160156	152.0
199.8667755126953	156.0
200.07371520996094	928.0
200.1071319580078	1832.0
200.14410400390625	7508.0
200.20738220214844	172.0
200.29751586914062	200.0
200.33946228027344	184.0
200.57083129882812	220.0
201.0902557373047	1804.0
201.1459197998047	1488.0
201.76300048828125	136.0
202.0877685546875	1324.0
202.34205627441406	152.0
202.3959197998047	152.0
202.68759155273438	184.0
202.80174255371094	172.0
203.04762268066406	212.0
203.10787963867188	184.0
203.407958984375	144.0
203.60670471191406	144.0
204.09442138671875	152.0
204.13787841796875	1604.0
204.1868133544922	140.0
204.25473022460938	184.0
204.2945556640625	144.0
204.7993621826172	152.0
204.8838348388672	144.0
204.97500610351562	188.0
205.06288146972656	120.0
205.08619689941406	264.0
205.128173828125	332.0
205.50750732421875	216.0
205.79647827148438	152.0
205.90353393554688	196.0
206.14781188964844	140.0
206.4422607421875	152.0
207.08050537109375	584.0
207.17784118652344	216.0
207.3138885498047	116.0
207.35324096679688	176.0
207.3936309814453	208.0
207.459716796875	156.0
207.75119018554688	176.0
208.05538940429688	156.0
208.0812225341797	284.0
208.1106719970703	456.0
208.18458557128906	152.0
208.4747314453125	176.0
208.6777801513672	188.0
208.82835388183594	180.0
208.9434051513672	176.0
209.0613250732422	760.0
209.0945587158203	1224.0
209.61004638671875	156.0
209.92453002929688	196.0
210.06187438964844	272.0
210.09255981445312	1100.0
210.3013458251953	132.0
210.43630981445312	160.0
210.82916259765625	204.0
211.00547790527344	180.0
211.0758056640625	9748.0
211.1654052734375	144.0
211.21080017089844	172.0
211.25469970703125	100.0
211.4263458251953	156.0
211.65936279296875	336.0
211.7867889404297	168.0
212.07736206054688	1712.0
212.10476684570312	556.0
212.463623046875	252.0
212.66673278808594	132.0
212.77853393554688	140.0
213.08116149902344	2488.0
213.38282775878906	180.0
213.48526000976562	164.0
213.58348083496094	212.0
213.85989379882812	168.0
214.0865936279297	1240.0
214.12515258789062	304.0
214.17218017578125	128.0
214.54443359375	200.0
214.64988708496094	96.0
214.85064697265625	152.0
214.96044921875	112.0
215.0950927734375	1188.0
215.3556365966797	152.0
215.61692810058594	152.0
215.70777893066406	124.0
215.84951782226562	204.0
216.09947204589844	1276.0
216.13986206054688	2064.0
216.19747924804688	152.0
216.32908630371094	144.0
216.79086303710938	132.0
216.99130249023438	100.0
217.08143615722656	504.0
217.10455322265625	252.0
217.14535522460938	2036.0
217.7367401123047	168.0
217.82485961914062	168.0
217.9306182861328	144.0
218.08718872070312	128.0
218.1186981201172	168.0
218.1478729248047	596.0
218.8777313232422	160.0
219.08419799804688	388.0
219.2783660888672	148.0
219.310791015625	144.0
219.54959106445312	140.0
219.7345428466797	160.0
220.151611328125	148.0
220.26834106445312	192.0
220.38792419433594	180.0
220.45883178710938	180.0
220.61843872070312	144.0
220.91635131835938	152.0
221.06332397460938	108.0
221.0891876220703	104.0
221.1441192626953	220.0
221.20834350585938	200.0
221.24560546875	160.0
221.32850646972656	188.0
221.6898956298828	188.0
222.0697784423828	276.0
222.6243438720703	216.0
222.82855224609375	176.0
223.0736846923828	168.0
223.0955047607422	176.0
223.54757690429688	196.0
224.10963439941406	144.0
224.52597045898438	156.0
224.54684448242188	184.0
224.70494079589844	152.0
224.8422088623047	160.0
224.9496612548828	144.0
224.97535705566406	144.0
224.99742126464844	204.0
225.0900421142578	2388.0
225.33424377441406	148.0
225.5948944091797	208.0
225.87298583984375	216.0
225.91188049316406	148.0
226.08653259277344	3328.0
226.12005615234375	904.0
226.84918212890625	280.0
227.06883239746094	680.0
227.10775756835938	1864.0
227.31625366210938	120.0
227.58120727539062	160.0
227.94297790527344	144.0
228.10260009765625	19036.0
228.23184204101562	176.0
228.3023681640625	164.0
228.35650634765625	208.0
228.7273712158203	124.0
228.8218231201172	220.0
229.08668518066406	6656.0
229.380859375	152.0
229.42762756347656	200.0
229.53338623046875	140.0
229.62144470214844	148.0
229.68218994140625	188.0
229.93331909179688	196.0
230.0933837890625	708.0
230.11793518066406	3360.0
230.19850158691406	196.0
230.40567016601562	144.0
230.6071319580078	136.0
230.8142852783203	224.0
231.11631774902344	480.0
231.2438507080078	152.0
231.64492797851562	96.0
231.6682586669922	332.0
231.73138427734375	184.0
232.09805297851562	164.0
232.2722930908203	132.0
232.4378662109375	164.0
232.5106964111328	156.0
232.7518768310547	212.0
233.0481719970703	204.0
233.09375	160.0
233.2517852783203	156.0
233.4666290283203	300.0
233.56497192382812	180.0
233.71340942382812	212.0
233.96925354003906	136.0
234.0945281982422	240.0
234.1798095703125	180.0
234.61553955078125	164.0
234.64602661132812	140.0
234.7832489013672	180.0
235.07518005371094	160.0
235.09902954101562	232.0
235.45318603515625	176.0
235.8059844970703	156.0
236.03219604492188	156.0
236.1065216064453	508.0
236.49720764160156	232.0
236.79757690429688	112.0
237.08958435058594	3324.0
237.26914978027344	192.0
237.55433654785156	196.0
238.0935516357422	448.0
238.1524658203125	196.0
238.72262573242188	200.0
238.94151306152344	132.0
239.10313415527344	720.0
239.67877197265625	160.0
239.7311553955078	140.0
239.78573608398438	124.0
240.10427856445312	304.0
240.59786987304688	172.0
240.9005126953125	144.0
241.05189514160156	148.0
241.0823516845703	164.0
241.10882568359375	392.0
241.30226135253906	188.0
241.4352264404297	160.0
241.81698608398438	160.0
242.07542419433594	252.0
242.11630249023438	1108.0
242.48782348632812	164.0
243.10150146484375	732.0
243.21670532226562	164.0
244.09689331054688	1136.0
244.132568359375	680.0
244.2451934814453	244.0
244.38427734375	276.0
244.60614013671875	144.0
245.06393432617188	172.0
245.12216186523438	488.0
245.489990234375	116.0
245.74049377441406	156.0
245.87779235839844	156.0
245.9949493408203	112.0
246.11668395996094	148.0
246.21263122558594	144.0
246.91978454589844	160.0
247.00259399414062	168.0
247.12396240234375	216.0
247.3780975341797	152.0
248.10800170898438	192.0
248.14248657226562	164.0
248.39651489257812	148.0
249.09336853027344	160.0
249.51446533203125	172.0
250.0928192138672	140.0
250.1298828125	148.0
250.15390014648438	372.0
250.18455505371094	196.0
250.9217529296875	188.0
251.1072540283203	428.0
251.14564514160156	216.0
251.3980255126953	204.0
251.42959594726562	160.0
251.55857849121094	148.0
252.02957153320312	192.0
252.10137939453125	956.0
252.14048767089844	312.0
252.17396545410156	288.0
252.20654296875	140.0
252.26344299316406	140.0
252.71568298339844	148.0
253.0510711669922	120.0
253.1126708984375	464.0
253.44708251953125	164.0
253.54849243164062	152.0
253.71041870117188	140.0
253.87501525878906	164.0
254.0050506591797	176.0
254.0292205810547	136.0
254.06532287597656	160.0
254.11814880371094	27524.0
254.167236328125	132.0
254.50433349609375	184.0
254.64112854003906	152.0
254.73800659179688	164.0
255.12208557128906	4292.0
255.2245635986328	160.0
255.5077667236328	196.0
255.80133056640625	164.0
255.8316650390625	156.0
256.0950622558594	760.0
256.1246032714844	636.0
256.1679382324219	240.0
256.2462463378906	184.0
256.786865234375	148.0
257.1104431152344	196.0
257.8417053222656	148.0
258.1293029785156	204.0
258.7501525878906	212.0
259.0960388183594	188.0
259.19696044921875	184.0
259.36199951171875	196.0
259.4549560546875	200.0
259.60565185546875	156.0
259.634521484375	184.0
259.85797119140625	184.0
260.2738037109375	144.0
260.43365478515625	176.0
260.4561462402344	140.0
261.1286315917969	160.0
261.18963623046875	208.0
261.6105651855469	164.0
261.70068359375	140.0
261.85205078125	148.0
262.10174560546875	240.0
262.5965270996094	188.0
262.8417053222656	152.0
263.0159912109375	144.0
263.13543701171875	152.0
263.6587219238281	184.0
263.69427490234375	172.0
263.7815246582031	144.0
263.8914489746094	172.0
264.1145935058594	248.0
265.0858459472656	188.0
265.46185302734375	268.0
265.6282043457031	184.0
266.0231628417969	144.0
266.1143493652344	280.0
266.1531982421875	424.0
266.1927795410156	148.0
266.297119140625	220.0
266.3738708496094	144.0
266.9658203125	132.0
267.00439453125	212.0
267.1069030761719	156.0
267.16363525390625	252.0
267.78875732421875	144.0
267.896240234375	144.0
267.96697998046875	112.0
268.01788330078125	144.0
268.1322326660156	2600.0
268.1683654785156	584.0
268.4937744140625	112.0
268.56597900390625	172.0
269.1051940917969	320.0
269.1356506347656	220.0
269.35589599609375	172.0
269.4022521972656	116.0
269.6614990234375	152.0
269.74322509765625	168.0
270.030517578125	132.0
270.1141052246094	688.0
270.1480407714844	640.0
270.33245849609375	176.0
270.367919921875	140.0
270.9573059082031	180.0
271.0007629394531	140.0
271.1197814941406	3060.0
271.2325744628906	168.0
271.2743835449219	212.0
271.4276428222656	144.0
271.4873962402344	104.0
271.5637512207031	160.0
271.6195068359375	172.0
271.68511962890625	144.0
271.8229064941406	176.0
271.9213562011719	148.0
271.9508972167969	144.0
271.9935607910156	160.0
272.02734375	124.0
272.0703430175781	144.0
272.1285095214844	34644.0
272.1993713378906	164.0
272.25372314453125	188.0
272.349853515625	220.0
272.3988342285156	112.0
272.6909484863281	160.0
272.7669982910156	140.0
273.1314392089844	4012.0
273.3837890625	148.0
273.41815185546875	100.0
274.02752685546875	184.0
274.13372802734375	972.0
274.3213806152344	204.0
274.9664611816406	116.0
275.2215270996094	164.0
275.4198303222656	152.0
275.54351806640625	144.0
275.6624755859375	204.0
275.68560791015625	144.0
275.87030029296875	136.0
275.9302062988281	220.0
276.0789794921875	164.0
276.14453125	152.0
276.4461975097656	172.0
276.5818786621094	172.0
276.6778869628906	172.0
276.8898620605469	140.0
277.1282958984375	312.0
277.2508239746094	184.0
277.7581787109375	180.0
278.1570739746094	480.0
278.5149841308594	140.0
278.6279296875	160.0
278.674072265625	112.0
278.943603515625	144.0
279.13409423828125	248.0
279.3659362792969	152.0
279.41583251953125	172.0
279.6687316894531	144.0
279.7253112792969	140.0
280.133544921875	292.0
280.1688232421875	452.0
280.53955078125	196.0
280.6648254394531	188.0
280.7030334472656	116.0
280.9916687011719	204.0
281.1415100097656	3748.0
281.3587951660156	192.0
281.46728515625	136.0
281.592529296875	172.0
281.6418762207031	232.0
282.0970764160156	188.0
282.1469421386719	1428.0
282.96685791015625	176.0
283.157958984375	1720.0
283.8879089355469	264.0
284.12567138671875	220.0
284.16241455078125	1320.0
284.59967041015625	160.0
284.9624328613281	180.0
285.00946044921875	152.0
285.1156921386719	240.0
285.1707763671875	144.0
285.2447204589844	144.0
286.1418762207031	1336.0
287.06951904296875	216.0
287.1468200683594	404.0
287.5688171386719	212.0
287.7477111816406	168.0
288.3056640625	132.0
288.3760070800781	264.0
288.70733642578125	224.0
288.76483154296875	148.0
288.97119140625	144.0
289.0320739746094	216.0
289.15350341796875	132.0
289.441650390625	172.0
290.0198059082031	176.0
290.1328125	140.0
290.224365234375	204.0
291.0726318359375	196.0
291.17791748046875	180.0
291.7827453613281	140.0
291.8840637207031	148.0
292.1228332519531	244.0
292.4462585449219	140.0
292.572021484375	144.0
292.6026611328125	144.0
292.87847900390625	140.0
293.0079345703125	212.0
293.1953430175781	148.0
293.481689453125	140.0
294.14923095703125	1944.0
294.24884033203125	196.0
294.29638671875	240.0
294.5146789550781	104.0
294.98382568359375	148.0
295.1518859863281	124.0
295.2037658691406	172.0
295.28814697265625	140.0
295.4420471191406	184.0
295.66632080078125	148.0
295.7099304199219	140.0
295.7442626953125	152.0
295.8167724609375	96.0
295.9459228515625	164.0
296.0111389160156	184.0
296.1014404296875	220.0
296.1652526855469	30896.0
296.2474365234375	120.0
296.2725830078125	172.0
296.31719970703125	136.0
296.4547119140625	116.0
296.4912109375	156.0
296.6441955566406	184.0
296.6954650878906	200.0
297.12371826171875	248.0
297.1686706542969	5188.0
297.474609375	200.0
297.7398681640625	176.0
298.057861328125	172.0
298.1775207519531	1752.0
298.8023986816406	220.0
298.9002990722656	116.0
299.18096923828125	724.0
299.26531982421875	152.0
299.6441650390625	172.0
300.1784362792969	160.0
300.3422546386719	152.0
300.70623779296875	140.0
300.8028869628906	160.0
301.28668212890625	172.0
301.3554382324219	156.0
301.4851989746094	196.0
301.5835266113281	156.0
301.78411865234375	124.0
301.81512451171875	156.0
302.0779724121094	140.0
302.443603515625	156.0
302.62823486328125	140.0
303.3863525390625	136.0
303.5603332519531	208.0
303.6747741699219	160.0
304.28369140625	200.0
304.39166259765625	168.0
304.9350891113281	156.0
304.9767761230469	216.0
305.0428161621094	144.0
305.15203857421875	120.0
305.1776123046875	244.0
305.2096862792969	156.0
305.2945251464844	172.0
305.3249206542969	328.0
305.550537109375	144.0
305.8833312988281	184.0
305.9577331542969	156.0
306.0447692871094	152.0
306.1537780761719	132.0
307.1563415527344	180.0
307.7807922363281	112.0
308.1694641113281	236.0
308.76434326171875	136.0
308.9222106933594	108.0
308.9834899902344	148.0
309.2796325683594	204.0
309.857666015625	368.0
310.16375732421875	196.0
310.30126953125	128.0
310.7259826660156	108.0
311.1533203125	524.0
311.3824768066406	212.0
312.11773681640625	128.0
312.159423828125	10840.0
312.3335876464844	192.0
312.3985900878906	108.0
312.8860778808594	228.0
313.1624450683594	2260.0
313.3756103515625	140.0
314.02252197265625	208.0
314.1630859375	568.0
314.2898864746094	128.0
314.843017578125	148.0
315.21173095703125	96.0
315.2821044921875	124.0
315.4648742675781	140.0
315.68408203125	232.0
316.1262512207031	160.0
316.2864685058594	116.0
316.423583984375	196.0
316.4937744140625	168.0
316.5533142089844	164.0
317.75616455078125	168.0
317.7987365722656	156.0
318.0932922363281	188.0
318.39154052734375	148.0
318.4874267578125	280.0
318.7361145019531	160.0
319.12353515625	164.0
319.77215576171875	200.0
319.93048095703125	164.0
320.1305236816406	156.0
320.1887512207031	148.0
320.63397216796875	192.0
320.97503662109375	140.0
321.1497802734375	152.0
321.4137878417969	152.0
321.4747009277344	172.0
321.79925537109375	204.0
321.87066650390625	164.0
321.9920959472656	288.0
322.0206604003906	264.0
322.0992431640625	228.0
322.1802062988281	7276.0
322.4139709472656	120.0
322.4667053222656	128.0
322.759765625	160.0
322.8389892578125	168.0
322.970947265625	312.0
323.1837463378906	1916.0
323.6382141113281	132.0
323.82916259765625	128.0
323.8662109375	156.0
324.18377685546875	276.0
324.68695068359375	192.0
324.88421630859375	244.0
325.1609191894531	108.0
325.248046875	104.0
325.89306640625	172.0
325.918212890625	140.0
326.171142578125	144.0
327.37506103515625	204.0
327.537109375	148.0
327.8037109375	160.0
328.0704345703125	172.0
329.5176086425781	164.0
329.5934753417969	156.0
329.80145263671875	180.0
330.1682434082031	152.0
331.39898681640625	140.0
332.4577941894531	152.0
332.515869140625	168.0
332.6065979003906	200.0
332.6583557128906	188.0
333.0023498535156	152.0
333.39471435546875	184.0
333.8345947265625	156.0
333.8841552734375	160.0
334.3475341796875	124.0
334.5404357910156	144.0
334.693359375	184.0
335.2579650878906	172.0
335.51312255859375	188.0
335.8194274902344	156.0
336.64056396484375	180.0
336.8101806640625	100.0
337.0372314453125	296.0
337.2068176269531	180.0
337.3237609863281	176.0
337.4152526855469	176.0
337.67120361328125	172.0
337.85400390625	140.0
337.93817138671875	172.0
338.0986328125	168.0
338.16845703125	172.0
338.246826171875	104.0
338.27484130859375	188.0
338.3636169433594	212.0
338.455810546875	140.0
338.61260986328125	192.0
338.8836669921875	140.0
338.9407958984375	112.0
338.966552734375	176.0
339.0135803222656	120.0
339.07537841796875	192.0
339.1540832519531	328.0
339.1826171875	156.0
339.3187561035156	152.0
339.3512878417969	188.0
339.406005859375	160.0
339.4774475097656	128.0
339.5466613769531	188.0
339.57696533203125	148.0
339.6332092285156	96.0
339.7424011230469	136.0
339.7800598144531	124.0
339.8289794921875	184.0
339.9943542480469	280.0
340.07196044921875	304.0
340.12115478515625	264.0
340.1925354003906	285196.0
340.2764892578125	332.0
340.29473876953125	228.0
340.30255126953125	240.0
340.38519287109375	204.0
340.4224853515625	368.0
340.4542541503906	192.0
340.5309753417969	148.0
340.5705261230469	352.0
340.6236267089844	132.0
340.6529846191406	496.0
340.68634033203125	168.0
340.7311706542969	220.0
340.7969055175781	1288.0
340.876708984375	236.0
340.9087829589844	192.0
340.9648742675781	144.0
340.99615478515625	116.0
341.02752685546875	248.0
341.07470703125	260.0
341.1339111328125	432.0
341.194580078125	56180.0
341.3002624511719	160.0
341.3497314453125	116.0
341.39849853515625	132.0
341.43963623046875	100.0
341.6330871582031	240.0
341.67547607421875	160.0
341.95318603515625	208.0
342.0108642578125	144.0
342.048095703125	160.0
342.09625244140625	120.0
342.19635009765625	5612.0
342.4281005859375	220.0
342.46728515625	132.0
342.53717041015625	100.0
342.6791076660156	132.0
342.8421936035156	144.0
343.01715087890625	152.0
343.0945739746094	204.0
343.1456604003906	112.0
343.20233154296875	896.0
343.26934814453125	132.0
343.3548889160156	208.0
343.38580322265625	324.0
343.4609069824219	164.0
343.5357666015625	120.0
343.6517639160156	140.0
343.79168701171875	140.0
344.1458435058594	96.0
344.18865966796875	140.0
344.2814025878906	116.0
344.3682556152344	100.0
344.4103698730469	244.0
344.4647521972656	108.0
344.5065002441406	120.0
344.8760986328125	160.0
345.3082580566406	148.0
345.4001159667969	152.0
345.5859069824219	120.0
345.8923645019531	200.0
346.22869873046875	160.0
346.5047607421875	240.0
346.54644775390625	196.0
347.60321044921875	144.0
347.7420959472656	136.0
348.0475158691406	172.0
348.18829345703125	412.0
348.238037109375	180.0
348.5152587890625	108.0
348.6865234375	180.0
350.090087890625	168.0
350.1608581542969	164.0
350.27630615234375	168.0
350.46630859375	188.0
350.81597900390625	136.0
351.2976989746094	160.0
351.52301025390625	212.0
351.7335205078125	156.0
352.3504333496094	156.0
352.79144287109375	188.0
352.8525695800781	112.0
353.2005920410156	104.0
353.49456787109375	196.0
353.90118408203125	144.0
353.96258544921875	152.0
354.00628662109375	144.0
354.0921325683594	168.0
354.20965576171875	176.0
354.5006103515625	108.0
354.6705017089844	208.0
354.9879455566406	188.0
355.0262145996094	156.0
355.1891784667969	100.0
355.2358093261719	144.0
355.3267822265625	148.0
355.51922607421875	192.0
355.5900573730469	176.0
355.6199645996094	96.0
355.6764831542969	124.0
355.7491760253906	208.0
355.80548095703125	196.0
355.9330139160156	184.0
355.97100830078125	168.0
355.9983215332031	248.0
356.17449951171875	160.0
356.2514953613281	204.0
356.28082275390625	116.0
356.3818054199219	176.0
356.44427490234375	144.0
356.5138854980469	180.0
356.597900390625	348.0
356.6405334472656	184.0
356.7560119628906	120.0
356.79766845703125	120.0
356.8833312988281	176.0
356.91497802734375	116.0
356.9505310058594	164.0
357.02960205078125	100.0
357.07196044921875	180.0
357.1248474121094	144.0
357.19598388671875	1184.0
357.2445068359375	204.0
357.336181640625	276.0
357.3628234863281	156.0
357.3998107910156	160.0
357.4586486816406	316.0
357.5161437988281	232.0
357.6195373535156	392.0
357.68951416015625	416.0
357.7979431152344	428.0
357.837158203125	316.0
357.8798828125	360.0
357.91632080078125	184.0
357.9265441894531	180.0
357.96636962890625	508.0
358.0298156738281	548.0
358.1208190917969	500.0
358.1533508300781	1276.0
358.20465087890625	228724.0
358.34228515625	120.0
358.46539306640625	280.0
358.555419921875	1328.0
358.6141052246094	452.0
358.67095947265625	876.0
358.77740478515625	1432.0
358.8299255371094	9872.0
358.8679504394531	776.0
358.9402160644531	352.0
358.9687805175781	376.0
359.02252197265625	232.0
359.1388244628906	476.0
359.1515197753906	424.0
359.2065734863281	144032.0
359.3074951171875	96.0
359.3697204589844	160.0
359.4579772949219	332.0
359.525390625	148.0
359.5635986328125	236.0
359.6385498046875	120.0
359.6605529785156	208.0
359.7332763671875	240.0
359.78131103515625	200.0
359.8265380859375	1172.0
359.8694763183594	328.0
359.89825439453125	248.0
359.980224609375	192.0
360.0505676269531	144.0
360.0937194824219	240.0
360.1499328613281	216.0
360.20794677734375	18516.0
360.3701171875	140.0
360.43121337890625	124.0
360.63922119140625	128.0
360.6863098144531	176.0
360.7571105957031	140.0
360.8424072265625	128.0
360.8828430175781	132.0
360.93731689453125	172.0
360.9702453613281	176.0
361.01983642578125	184.0
361.0592956542969	164.0
361.11016845703125	164.0
361.2130432128906	2112.0
361.3154296875	184.0
361.3460998535156	188.0
361.40277099609375	256.0
361.4358825683594	376.0
361.4808654785156	236.0
361.513427734375	196.0
361.602294921875	356.0
361.6334228515625	268.0
361.66644287109375	408.0
361.72344970703125	404.0
361.83551025390625	112.0
361.8946838378906	116.0
361.94183349609375	96.0
361.9739685058594	128.0
362.0339050292969	172.0
362.11602783203125	168.0
362.3453063964844	112.0
362.41217041015625	120.0
362.46490478515625	188.0
362.4929504394531	344.0
362.5294494628906	128.0
362.595703125	96.0
362.6693115234375	272.0
362.73358154296875	192.0
362.7796936035156	104.0
363.0262145996094	100.0
363.1856994628906	160.0
363.4308166503906	96.0
363.4421691894531	176.0
363.62139892578125	172.0
363.7413330078125	168.0
364.2908020019531	156.0
364.4116516113281	132.0
364.8265380859375	96.0
367.27874755859375	232.0
370.8313903808594	144.0
371.7631530761719	124.0
373.90496826171875	100.0
374.0645751953125	108.0
374.1142578125	112.0
375.9726257324219	172.0
377.7114562988281	140.0
381.377197265625	108.0
381.826904296875	156.0
386.118896484375	140.0
389.4403381347656	104.0
400.93194580078125	144.0
427.8498229980469	96.0
450.274658203125	132.0
463.5635070800781	148.0
494.5494384765625	172.0
507.3769226074219	140.0
515.8193359375	140.0
523.21826171875	160.0
535.25537109375	152.0
548.1025390625	140.0
551.0489501953125	172.0
565.538330078125	128.0
568.1995849609375	96.0
588.0236206054688	96.0
637.2239379882812	148.0
663.5607299804688	140.0
694.47705078125	112.0
744.16845703125	144.0
1034.305419921875	200.0
1049.651611328125	120.0
1083.6746826171875	148.0
1190.881591796875	144.0
1212.608154296875	196.0
1278.126220703125	288.0
1337.655517578125	152.0
1383.093505859375	188.0
1545.8798828125	160.0
1553.346435546875	184.0
1553.99755859375	164.0
1574.3453369140625	148.0
1575.040283203125	164.0
1615.5498046875	176.0
1629.852783203125	192.0
1642.89453125	140.0
1656.33056640625	204.0
1676.764892578125	168.0
1677.6778564453125	228.0
1713.81298828125	168.0
1716.401123046875	156.0
1754.4906005859375	160.0
1762.9207763671875	240.0
1766.0726318359375	200.0
1829.6669921875	180.0
1879.4984130859375	144.0
1892.7666015625	184.0
1896.717041015625	188.0
1930.891357421875	168.0
1940.9796142578125	188.0
1942.15478515625	172.0
1945.3048095703125	184.0
1950.3819580078125	176.0
1960.90869140625	144.0
1983.6246337890625	172.0
1989.816650390625	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079175
PEPMASS=386.147369
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="Glycine, N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-,phenylmethyl ester [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2
INCHI=InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)
INCHIAUX=ODUOJXZPIYUATO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079175
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079175
SCANS=1971
46.28349685668945	200.0
47.44707489013672	144.0
47.95431137084961	160.0
49.24885940551758	144.0
52.57725143432617	208.0
53.570472717285156	200.0
54.9043083190918	200.0
57.43701171875	196.0
57.58795166015625	148.0
57.62571716308594	188.0
57.837432861328125	236.0
61.56781768798828	148.0
62.32600021362305	200.0
64.58358001708984	164.0
65.04344940185547	176.0
65.71936798095703	144.0
66.46853637695312	152.0
67.03115844726562	180.0
68.57988739013672	144.0
75.98736572265625	196.0
76.00471496582031	196.0
81.65142059326172	140.0
83.31620025634766	160.0
84.39332580566406	180.0
89.40408325195312	196.0
90.29265594482422	196.0
90.40615844726562	168.0
91.0547103881836	5860.0
92.057373046875	1012.0
92.3907241821289	268.0
94.51095581054688	192.0
94.6445083618164	140.0
94.75684356689453	172.0
96.2037582397461	180.0
96.59458923339844	176.0
101.47657012939453	192.0
104.60189819335938	140.0
107.74156951904297	180.0
108.70642852783203	188.0
109.6922607421875	152.0
111.35990905761719	184.0
115.0553207397461	316.0
115.61723327636719	140.0
115.7071304321289	240.0
117.069580078125	1408.0
118.07330322265625	216.0
119.05583190917969	168.0
119.07537841796875	140.0
120.080322265625	156.0
121.08622741699219	156.0
127.0537338256836	172.0
128.06369018554688	204.0
128.28158569335938	232.0
129.04464721679688	184.0
129.07089233398438	376.0
130.07247924804688	160.0
130.48887634277344	160.0
132.05775451660156	204.0
133.04307556152344	152.0
135.38803100585938	156.0
135.64520263671875	164.0
135.70083618164062	228.0
135.9699249267578	164.0
136.72988891601562	160.0
137.04196166992188	1132.0
137.11181640625	140.0
138.04510498046875	156.0
139.0388946533203	300.0
143.04946899414062	212.0
144.02049255371094	232.0
144.845703125	184.0
145.039794921875	160.0
145.0642852783203	6816.0
146.0683135986328	1180.0
146.09396362304688	160.0
147.0751190185547	136.0
147.3330841064453	156.0
149.03872680664062	140.0
149.505615234375	148.0
153.67869567871094	172.0
157.06515502929688	2548.0
158.06739807128906	468.0
158.0968780517578	172.0
162.18453979492188	164.0
166.08413696289062	1072.0
167.08628845214844	228.0
167.5072021484375	192.0
168.45648193359375	216.0
172.769287109375	176.0
173.67825317382812	208.0
173.71759033203125	188.0
174.09246826171875	164.0
175.28982543945312	152.0
175.96241760253906	140.0
177.0371856689453	204.0
178.0780792236328	172.0
179.05242919921875	1472.0
179.08546447753906	312.0
179.54730224609375	156.0
180.05357360839844	456.0
181.04664611816406	424.0
181.10101318359375	364.0
181.89646911621094	152.0
182.541259765625	184.0
184.01242065429688	156.0
187.14939880371094	144.0
191.05300903320312	1200.0
191.08627319335938	692.0
192.090576171875	368.0
193.0435791015625	152.0
193.10003662109375	524.0
193.53611755371094	188.0
193.63026428222656	248.0
194.10427856445312	128.0
195.96363830566406	160.0
196.42083740234375	156.0
202.0875701904297	820.0
202.9625244140625	224.0
203.08837890625	152.0
204.10281372070312	176.0
206.01637268066406	144.0
206.08493041992188	172.0
206.26783752441406	168.0
207.08506774902344	188.0
207.1152801513672	2388.0
207.4385986328125	172.0
207.88113403320312	216.0
208.07608032226562	488.0
208.12057495117188	668.0
208.37106323242188	112.0
209.0770263671875	136.0
209.13729858398438	196.0
209.7064666748047	144.0
210.08421325683594	160.0
213.5223846435547	168.0
215.08407592773438	156.0
216.90638732910156	184.0
217.10092163085938	436.0
217.31402587890625	160.0
218.10397338867188	212.0
219.45521545410156	192.0
220.08709716796875	324.0
221.06300354003906	256.0
222.06341552734375	140.0
223.11294555664062	248.0
229.42845153808594	184.0
233.087646484375	208.0
235.1114501953125	8676.0
235.16152954101562	184.0
236.07778930664062	596.0
236.11402893066406	1576.0
236.39007568359375	200.0
237.11593627929688	156.0
237.905517578125	144.0
241.02406311035156	144.0
241.10720825195312	1032.0
242.10841369628906	468.0
242.81333923339844	156.0
243.09512329101562	168.0
268.7047119140625	252.0
268.9102783203125	168.0
269.03759765625	352.0
269.1006164550781	44788.0
269.2768859863281	108.0
269.3601379394531	212.0
269.5328674316406	112.0
269.5780334472656	172.0
269.834716796875	180.0
270.1039733886719	7532.0
271.09765625	2388.0
271.4489440917969	240.0
271.9494323730469	112.0
272.1033630371094	300.0
275.8971252441406	180.0
278.0824279785156	664.0
279.0899963378906	324.0
280.0875244140625	128.0
280.77484130859375	140.0
281.09393310546875	376.0
285.7188415527344	168.0
287.107666015625	140.0
290.1802673339844	164.0
292.1363830566406	308.0
293.7374267578125	148.0
298.1259765625	5008.0
299.12847900390625	1212.0
300.12774658203125	276.0
301.1317138671875	148.0
307.0867004394531	160.0
309.46295166015625	168.0
310.1412048339844	220.0
311.1160583496094	264.0
316.7989501953125	168.0
321.0213623046875	144.0
326.120849609375	5880.0
326.5041198730469	320.0
327.12188720703125	928.0
328.1185302734375	240.0
328.95782470703125	152.0
342.54913330078125	156.0
343.03924560546875	196.0
343.6847229003906	168.0
343.8893737792969	100.0
343.9355773925781	200.0
343.9870910644531	172.0
344.0426330566406	152.0
344.1319274902344	32268.0
344.2774353027344	128.0
344.578857421875	100.0
344.800537109375	168.0
344.9033203125	100.0
345.13641357421875	4972.0
345.65789794921875	132.0
346.1309509277344	1324.0
347.1364440917969	580.0
347.6402893066406	280.0
347.8201904296875	100.0
349.4163513183594	144.0
367.23907470703125	156.0
368.1282958984375	144.0
377.95355224609375	216.0
385.3019104003906	140.0
386.14105224609375	1268.0
387.140869140625	464.0
388.16064453125	184.0
1075.408935546875	148.0
1225.9722900390625	160.0
1326.28759765625	196.0
1407.9036865234375	172.0
1425.8687744140625	168.0
1436.7115478515625	240.0
1437.134033203125	220.0
1459.6759033203125	204.0
1483.5582275390625	164.0
1484.631591796875	164.0
1491.77978515625	164.0
1500.756591796875	176.0
1512.429443359375	212.0
1534.475830078125	172.0
1545.198974609375	192.0
1546.7249755859375	208.0
1584.826171875	172.0
1588.1715087890625	192.0
1611.0489501953125	188.0
1612.20751953125	140.0
1621.0501708984375	180.0
1631.4681396484375	180.0
1634.468017578125	160.0
1661.4049072265625	200.0
1675.0667724609375	132.0
1678.32177734375	152.0
1683.70751953125	176.0
1707.202880859375	188.0
1709.21826171875	228.0
1718.9580078125	160.0
1725.3260498046875	152.0
1735.924072265625	168.0
1744.0518798828125	164.0
1751.898681640625	180.0
1761.024169921875	184.0
1774.9327392578125	200.0
1811.3834228515625	252.0
1813.32373046875	184.0
1825.871826171875	164.0
1872.0753173828125	160.0
1933.725830078125	180.0
1963.2271728515625	156.0
1995.431396484375	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079176
PEPMASS=455.296661
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Verapamil aka "Benzeneacetonitrile, Alpha-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-Alpha-(1-methylethyl)-, (R)- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
INCHI=InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
INCHIAUX=SGTNSNPWRIOYBX-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079176
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079176
SCANS=1190
45.29893493652344	140.0
45.320369720458984	208.0
46.39183807373047	140.0
46.67151641845703	152.0
47.074859619140625	172.0
47.092613220214844	184.0
50.218299865722656	144.0
50.72064208984375	176.0
50.77593994140625	140.0
51.65190124511719	168.0
52.162384033203125	176.0
52.267372131347656	140.0
52.62050247192383	152.0
54.636173248291016	228.0
55.28392028808594	148.0
55.556549072265625	152.0
56.74317169189453	220.0
57.12363815307617	164.0
58.90941619873047	164.0
60.232025146484375	144.0
60.48716354370117	144.0
60.91514587402344	192.0
61.01926803588867	156.0
61.67399978637695	208.0
61.954097747802734	200.0
64.32147216796875	160.0
66.43926239013672	196.0
67.67137908935547	156.0
68.15359497070312	216.0
69.28044891357422	200.0
69.77754974365234	184.0
69.79827880859375	140.0
71.19866180419922	228.0
71.42387390136719	184.0
72.70286560058594	152.0
73.8734130859375	152.0
75.76191711425781	144.0
77.18038177490234	164.0
77.32732391357422	148.0
78.22953796386719	180.0
79.09095764160156	156.0
80.30094146728516	140.0
80.80110168457031	160.0
82.53495788574219	184.0
82.67605590820312	160.0
85.32646179199219	200.0
86.06713104248047	192.0
86.12992095947266	236.0
86.43866729736328	172.0
89.48117065429688	180.0
91.0566177368164	188.0
91.47273254394531	156.0
91.75849151611328	196.0
92.0676040649414	172.0
92.11917114257812	148.0
93.07101440429688	176.0
94.67733001708984	144.0
94.79937744140625	148.0
95.30194091796875	140.0
95.53718566894531	248.0
95.7279281616211	164.0
96.0796890258789	144.0
96.09632873535156	288.0
96.53190612792969	152.0
96.65904998779297	180.0
96.71580505371094	204.0
97.0194320678711	188.0
97.73826599121094	164.0
97.76778411865234	152.0
98.36892700195312	184.0
98.97587585449219	148.0
99.33657836914062	192.0
100.89387512207031	176.0
101.00985717773438	188.0
102.6950912475586	212.0
102.91101837158203	176.0
103.05390167236328	436.0
103.07260131835938	180.0
103.34759521484375	144.0
103.60066223144531	192.0
104.05899810791016	192.0
104.26213073730469	144.0
104.93181610107422	152.0
105.02970123291016	204.0
105.07026672363281	1364.0
105.1398696899414	172.0
105.25347900390625	172.0
105.32087707519531	104.0
106.07256317138672	276.0
106.8549575805664	140.0
106.92080688476562	148.0
107.04867553710938	320.0
107.22148132324219	140.0
108.05565643310547	164.0
109.06538391113281	224.0
109.89443969726562	164.0
110.09635925292969	164.0
112.01394653320312	172.0
115.05282592773438	160.0
115.21726989746094	144.0
116.01765441894531	176.0
116.42102813720703	220.0
117.60514831542969	180.0
118.03938293457031	272.0
119.04808044433594	132.0
119.58183288574219	196.0
120.05596923828125	256.0
120.63099670410156	156.0
121.0269775390625	184.0
121.06546020507812	820.0
121.16496276855469	144.0
121.59912872314453	180.0
121.98351287841797	176.0
122.06625366210938	196.0
122.09687805175781	800.0
122.3332748413086	188.0
123.04388427734375	188.0
123.10275268554688	152.0
123.11864471435547	184.0
124.0530014038086	220.0
124.43126678466797	204.0
125.08930206298828	152.0
126.49337005615234	148.0
126.63667297363281	208.0
127.09175109863281	208.0
127.27804565429688	196.0
127.9750747680664	164.0
128.0786590576172	144.0
128.12371826171875	196.0
128.62432861328125	180.0
129.24356079101562	160.0
130.2137908935547	196.0
130.8778076171875	188.0
131.04873657226562	700.0
132.05780029296875	156.0
133.0305938720703	208.0
133.06515502929688	2420.0
133.85916137695312	192.0
134.07284545898438	2428.0
134.408935546875	168.0
134.5831756591797	140.0
134.66600036621094	128.0
135.0451202392578	1948.0
135.0809783935547	2116.0
135.45347595214844	176.0
135.9906768798828	144.0
136.01852416992188	152.0
136.05104064941406	720.0
136.07888793945312	424.0
136.55758666992188	144.0
137.05967712402344	604.0
137.09083557128906	420.0
137.10935974121094	200.0
137.94259643554688	176.0
138.06610107421875	572.0
138.37994384765625	208.0
139.07418823242188	1004.0
141.0147247314453	176.0
141.15420532226562	144.0
141.91189575195312	156.0
141.98777770996094	164.0
142.00674438476562	176.0
142.5694122314453	200.0
146.07284545898438	468.0
146.51028442382812	156.0
146.73683166503906	140.0
146.8453369140625	160.0
147.02870178222656	188.0
147.6108856201172	180.0
147.92539978027344	172.0
148.8272705078125	172.0
149.0610809326172	548.0
149.092041015625	160.0
149.22329711914062	140.0
149.60768127441406	140.0
149.86029052734375	156.0
150.06785583496094	21388.0
150.37794494628906	176.0
150.71163940429688	148.0
151.03659057617188	176.0
151.0731658935547	5800.0
152.0811004638672	1108.0
153.08047485351562	200.0
153.87106323242188	148.0
154.7388458251953	144.0
155.10548400878906	156.0
155.12530517578125	144.0
157.1197509765625	168.0
158.06668090820312	140.0
158.457275390625	216.0
158.6315155029297	124.0
159.24996948242188	148.0
159.62591552734375	148.0
159.73255920410156	236.0
160.0840301513672	184.0
161.06466674804688	168.0
161.14178466796875	196.0
162.07540893554688	212.0
163.0815887451172	164.0
163.28628540039062	152.0
164.082763671875	332.0
164.1138916015625	152.0
164.46337890625	156.0
164.74171447753906	132.0
164.8170166015625	152.0
164.9947052001953	160.0
165.0396728515625	232.0
165.0914306640625	99604.0
165.16282653808594	128.0
165.2172393798828	404.0
165.2792510986328	112.0
165.33590698242188	140.0
165.39385986328125	160.0
165.70571899414062	108.0
165.86251831054688	180.0
165.91714477539062	196.0
166.0419921875	184.0
166.0948028564453	8696.0
166.32955932617188	96.0
166.7183837890625	164.0
166.77627563476562	104.0
166.83937072753906	96.0
166.98968505859375	152.0
167.03768920898438	108.0
167.0977020263672	696.0
167.2596893310547	132.0
167.32290649414062	144.0
168.42532348632812	168.0
169.1001434326172	172.0
170.3629150390625	144.0
172.26382446289062	152.0
173.53646850585938	164.0
175.07305908203125	308.0
176.08290100097656	340.0
177.09124755859375	3528.0
177.1318359375	176.0
178.09286499023438	436.0
179.08338928222656	200.0
179.1077423095703	500.0
183.11428833007812	140.0
185.0922088623047	216.0
186.09149169921875	160.0
187.09848022460938	408.0
187.47335815429688	176.0
188.0862274169922	124.0
188.8329315185547	204.0
189.11199951171875	156.0
189.57757568359375	148.0
190.08596801757812	244.0
191.10995483398438	348.0
191.86717224121094	156.0
194.1129913330078	180.0
197.41770935058594	192.0
197.5211944580078	156.0
197.97740173339844	168.0
198.95594787597656	160.0
200.6354522705078	200.0
200.9033660888672	216.0
201.0944366455078	172.0
202.09765625	176.0
202.13804626464844	148.0
202.76388549804688	140.0
203.0955352783203	428.0
204.10400390625	160.0
204.52197265625	152.0
205.12583923339844	144.0
208.13267517089844	312.0
211.1006622314453	172.0
212.12185668945312	300.0
214.1229705810547	160.0
215.1055450439453	388.0
216.1038360595703	260.0
216.1359405517578	152.0
217.1090545654297	404.0
218.11595153808594	1184.0
218.1537322998047	140.0
218.20077514648438	148.0
218.63568115234375	112.0
218.9246063232422	156.0
219.1205596923828	268.0
219.76467895507812	148.0
221.3105010986328	196.0
223.14407348632812	152.0
225.99334716796875	256.0
228.12225341796875	204.0
229.14341735839844	464.0
229.6302490234375	140.0
230.11422729492188	140.0
231.12503051757812	180.0
231.59178161621094	172.0
232.12896728515625	284.0
233.13185119628906	180.0
233.15362548828125	896.0
234.1551055908203	588.0
234.68846130371094	144.0
235.16433715820312	192.0
236.16650390625	176.0
243.04574584960938	152.0
243.13340759277344	912.0
244.13975524902344	148.0
245.13890075683594	1276.0
246.1393280029297	304.0
247.0554962158203	168.0
247.29017639160156	176.0
247.97422790527344	128.0
249.8160858154297	160.0
249.92306518554688	176.0
251.0489501953125	144.0
253.31373596191406	176.0
258.1530456542969	136.0
258.4170227050781	144.0
258.8875427246094	168.0
259.143798828125	140.0
259.9357604980469	160.0
259.96185302734375	96.0
260.1643371582031	7588.0
260.8311462402344	156.0
261.16217041015625	3800.0
262.1637268066406	1028.0
263.1684875488281	320.0
264.1977233886719	372.0
264.66119384765625	148.0
265.7405090332031	144.0
266.0016784667969	152.0
266.2826232910156	148.0
266.4028015136719	168.0
266.9195556640625	200.0
267.3424377441406	140.0
268.4008483886719	200.0
270.361083984375	164.0
275.1336975097656	164.0
277.1346130371094	164.0
280.32452392578125	176.0
280.4444885253906	232.0
280.5078125	184.0
282.36090087890625	168.0
284.6060791015625	208.0
288.3283996582031	148.0
289.1920166015625	296.0
289.70989990234375	148.0
290.25115966796875	164.0
291.20477294921875	288.0
291.5513000488281	160.0
292.4471130371094	160.0
293.67572021484375	192.0
293.7610168457031	160.0
295.6812438964844	176.0
298.3154602050781	160.0
299.7257080078125	164.0
299.8643798828125	212.0
300.3436279296875	260.0
300.84051513671875	152.0
300.9268493652344	152.0
301.21002197265625	148.0
302.13299560546875	228.0
303.04351806640625	172.0
303.2069396972656	15076.0
304.2090148925781	2976.0
305.2108154296875	792.0
306.5146484375	216.0
306.9468994140625	144.0
307.0166320800781	140.0
311.6416931152344	172.0
313.6474609375	152.0
315.687255859375	152.0
317.2203063964844	100.0
321.5526123046875	196.0
322.03814697265625	144.0
322.2024841308594	164.0
325.58380126953125	144.0
328.7481384277344	152.0
331.4928283691406	164.0
332.30865478515625	156.0
332.9801940917969	184.0
335.3414306640625	148.0
339.0326232910156	188.0
339.1755676269531	164.0
339.98980712890625	148.0
342.3609619140625	364.0
343.5588684082031	156.0
346.2534484863281	156.0
347.43585205078125	148.0
348.8804626464844	148.0
353.33331298828125	144.0
360.5679626464844	148.0
364.7941589355469	144.0
367.14715576171875	156.0
368.9952697753906	140.0
372.4292907714844	152.0
372.9474792480469	176.0
376.3452453613281	224.0
378.52215576171875	188.0
382.9454650878906	164.0
386.4079284667969	188.0
388.0097351074219	144.0
388.8138427734375	176.0
390.4914245605469	200.0
392.73248291015625	164.0
394.3789367675781	140.0
394.8525390625	152.0
397.0355224609375	140.0
398.6512451171875	236.0
399.30718994140625	168.0
399.51800537109375	144.0
401.95635986328125	184.0
402.1199645996094	156.0
406.1205139160156	108.0
406.5943908691406	212.0
408.3098449707031	212.0
408.78857421875	140.0
409.44476318359375	140.0
410.081298828125	168.0
411.8081359863281	140.0
411.844482421875	156.0
413.093505859375	184.0
413.8826904296875	180.0
415.2159118652344	144.0
415.63372802734375	164.0
419.66046142578125	164.0
422.4661865234375	184.0
423.07183837890625	168.0
423.23968505859375	148.0
423.9647521972656	156.0
425.33935546875	128.0
428.2876281738281	132.0
430.989013671875	204.0
431.0592346191406	180.0
433.1153869628906	152.0
433.202392578125	172.0
434.0478515625	156.0
434.8858642578125	152.0
435.1307678222656	164.0
435.9158020019531	296.0
439.2455749511719	168.0
439.4626770019531	160.0
447.3886413574219	148.0
449.99053955078125	120.0
450.3065185546875	176.0
450.5222473144531	120.0
451.5110168457031	120.0
451.8701171875	224.0
451.94671630859375	196.0
452.09771728515625	100.0
452.1715393066406	224.0
452.2699890136719	168.0
452.437255859375	204.0
452.5323181152344	212.0
452.7464904785156	124.0
452.8507080078125	236.0
453.0305480957031	168.0
453.0627136230469	156.0
453.12799072265625	172.0
453.2716064453125	228.0
453.40692138671875	164.0
453.4610595703125	152.0
453.546875	188.0
453.63818359375	304.0
453.746337890625	108.0
453.7881164550781	180.0
453.8196716308594	172.0
453.8734130859375	128.0
453.9682922363281	152.0
454.0656433105469	116.0
454.1112976074219	132.0
454.1671142578125	176.0
454.2105407714844	252.0
454.2515563964844	204.0
454.29620361328125	152.0
454.3614196777344	112.0
454.4228210449219	140.0
454.4891357421875	188.0
454.5848693847656	160.0
454.63818359375	100.0
454.695068359375	132.0
454.7720947265625	184.0
454.851318359375	300.0
454.8903503417969	240.0
454.953125	256.0
454.9914245605469	136.0
455.0061340332031	212.0
455.0893249511719	468.0
455.1347351074219	292.0
455.16290283203125	332.0
455.2928771972656	205424.0
455.4195251464844	208.0
455.5003967285156	208.0
455.5500183105469	176.0
455.5899963378906	176.0
455.6639404296875	328.0
455.6903991699219	152.0
455.7379455566406	408.0
455.7903137207031	188.0
455.833740234375	140.0
455.8973083496094	148.0
455.9415283203125	120.0
455.99163818359375	3348.0
456.04022216796875	172.0
456.0759582519531	304.0
456.1474914550781	232.0
456.1814880371094	132.0
456.22406005859375	352.0
456.2950744628906	87132.0
456.404052734375	392.0
456.5176086425781	128.0
456.66522216796875	200.0
456.7125244140625	236.0
456.744384765625	348.0
456.8713684082031	184.0
456.9210510253906	192.0
457.0055847167969	108.0
457.1248779296875	168.0
457.2334899902344	168.0
457.2978515625	13212.0
457.4229736328125	128.0
457.6483154296875	156.0
457.70294189453125	152.0
457.84503173828125	184.0
457.8827209472656	120.0
457.9306335449219	132.0
458.0234680175781	96.0
458.2083435058594	124.0
458.2975769042969	1284.0
458.4001770019531	140.0
458.5337219238281	156.0
458.72265625	264.0
458.8011474609375	124.0
458.8305969238281	172.0
458.93408203125	168.0
459.0381774902344	156.0
459.0687255859375	168.0
459.1059875488281	216.0
459.22149658203125	144.0
459.2690734863281	324.0
459.3179626464844	324.0
459.3841247558594	96.0
459.555908203125	108.0
459.7413330078125	96.0
459.77337646484375	188.0
459.87786865234375	140.0
459.95538330078125	152.0
460.0738830566406	136.0
460.1403503417969	152.0
460.32598876953125	132.0
460.4059143066406	144.0
460.6664733886719	160.0
460.7960205078125	184.0
461.2013244628906	140.0
461.2597351074219	124.0
462.5821838378906	160.0
470.0376281738281	120.0
470.1856384277344	160.0
470.8504943847656	176.0
471.02325439453125	148.0
477.0552062988281	256.0
497.5809631347656	156.0
625.2060546875	128.0
703.6348266601562	140.0
725.5716552734375	140.0
809.7274780273438	108.0
827.1895141601562	144.0
921.5841674804688	144.0
1120.0281982421875	208.0
1139.9654541015625	176.0
1178.5562744140625	180.0
1204.7117919921875	180.0
1211.359619140625	224.0
1253.5323486328125	208.0
1265.88720703125	148.0
1345.855712890625	200.0
1387.7591552734375	184.0
1462.2913818359375	140.0
1530.0570068359375	292.0
1541.2099609375	164.0
1556.1385498046875	148.0
1557.449951171875	188.0
1563.818603515625	204.0
1573.4434814453125	232.0
1576.7373046875	144.0
1606.736328125	156.0
1629.0235595703125	168.0
1633.0023193359375	228.0
1640.7244873046875	172.0
1640.958251953125	160.0
1643.773193359375	168.0
1666.2418212890625	164.0
1672.35693359375	192.0
1691.2930908203125	164.0
1704.3570556640625	172.0
1705.4910888671875	168.0
1726.424072265625	140.0
1742.42138671875	172.0
1744.5987548828125	144.0
1766.7064208984375	196.0
1786.9586181640625	144.0
1806.1419677734375	164.0
1817.8590087890625	156.0
1840.3392333984375	148.0
1866.068603515625	168.0
1868.390625	148.0
1872.986083984375	120.0
1878.6077880859375	176.0
1902.2318115234375	240.0
1903.586181640625	140.0
1924.4053955078125	156.0
1930.7406005859375	140.0
1932.4637451171875	220.0
1933.723876953125	176.0
1933.8114013671875	180.0
1942.880615234375	156.0
1945.135986328125	148.0
1945.513427734375	160.0
1947.4539794921875	208.0
1983.259033203125	168.0
1994.3271484375	232.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079177
PEPMASS=235.018509
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Riluzole [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Nc1nc2ccc(OC(F)(F)F)cc2s1
INCHI=InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
INCHIAUX=FTALBRSUTCGOEG-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079177
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079177
SCANS=1234
44.93667984008789	168.0
45.59147262573242	216.0
45.809444427490234	220.0
46.492252349853516	212.0
46.65116882324219	164.0
46.666419982910156	184.0
47.10495376586914	172.0
47.82621383666992	160.0
47.98739242553711	152.0
48.17094039916992	220.0
48.90167999267578	192.0
49.647735595703125	176.0
49.6645622253418	160.0
51.77217483520508	248.0
52.11069869995117	156.0
52.529632568359375	192.0
52.94879913330078	168.0
54.910335540771484	228.0
55.02677917480469	164.0
55.13608932495117	156.0
55.18043518066406	148.0
55.205570220947266	140.0
56.32622146606445	140.0
56.91028594970703	224.0
57.28476333618164	156.0
57.75421142578125	220.0
57.81775665283203	268.0
58.2772216796875	148.0
58.87128829956055	168.0
58.90488815307617	124.0
59.04856491088867	216.0
59.35791015625	148.0
59.416194915771484	152.0
59.518402099609375	304.0
59.565101623535156	236.0
59.671138763427734	200.0
60.853084564208984	240.0
60.87637710571289	164.0
60.9229736328125	144.0
61.38055419921875	204.0
61.399269104003906	212.0
61.634986877441406	168.0
61.69906997680664	144.0
61.932228088378906	156.0
62.34013748168945	152.0
63.502098083496094	152.0
63.959693908691406	200.0
64.0663833618164	184.0
64.62357330322266	232.0
64.72120666503906	224.0
64.87821960449219	180.0
65.2812271118164	148.0
65.51944732666016	228.0
65.85658264160156	140.0
65.88404083251953	204.0
66.4961166381836	212.0
66.62277221679688	184.0
66.9073715209961	148.0
67.29212951660156	168.0
67.98124694824219	188.0
68.05510711669922	144.0
68.46126556396484	144.0
68.75965881347656	152.0
69.04712677001953	144.0
69.763427734375	152.0
69.86487579345703	172.0
70.4483413696289	172.0
70.95877838134766	228.0
71.2558364868164	212.0
71.52995300292969	192.0
71.62425231933594	176.0
71.7809829711914	140.0
72.0020523071289	144.0
72.14398956298828	152.0
72.20824432373047	176.0
72.54010772705078	184.0
72.88463592529297	184.0
72.94751739501953	152.0
73.03763580322266	172.0
73.15845489501953	140.0
73.20783233642578	140.0
73.50614929199219	168.0
73.65296936035156	164.0
73.6905517578125	164.0
73.7469482421875	188.0
73.84611511230469	144.0
74.31205749511719	140.0
74.69860076904297	184.0
74.85177612304688	192.0
75.06027221679688	216.0
75.1689453125	156.0
76.26521301269531	144.0
76.28954315185547	144.0
76.9777603149414	164.0
77.8603744506836	200.0
78.349365234375	216.0
78.36874389648438	168.0
78.45157623291016	188.0
79.59452056884766	180.0
80.00166320800781	172.0
80.6795654296875	172.0
81.07513427734375	204.0
81.16740417480469	140.0
81.29032897949219	144.0
81.31725311279297	208.0
81.55792999267578	168.0
81.88358306884766	220.0
82.35697937011719	148.0
83.14551544189453	216.0
83.57618713378906	148.0
83.93319702148438	168.0
84.46098327636719	172.0
84.83271026611328	184.0
84.98676300048828	164.0
85.16378784179688	160.0
85.89189147949219	164.0
86.08567810058594	148.0
86.2223892211914	140.0
86.57573699951172	180.0
86.61092376708984	144.0
87.07646942138672	164.0
87.60747528076172	176.0
88.31404113769531	168.0
88.3439712524414	196.0
89.15019989013672	152.0
90.06584167480469	164.0
90.84573364257812	156.0
91.6308822631836	200.0
91.69757843017578	180.0
91.75286102294922	180.0
92.02568054199219	168.0
92.53205871582031	164.0
92.60511016845703	188.0
92.78331756591797	148.0
93.05766296386719	168.0
93.09799194335938	144.0
93.16521453857422	148.0
93.8667984008789	200.0
94.02784729003906	140.0
94.6386947631836	164.0
94.94098663330078	140.0
95.2845458984375	156.0
95.75723266601562	272.0
96.00379180908203	416.0
96.3424072265625	160.0
96.5945816040039	180.0
96.63957977294922	144.0
96.86471557617188	208.0
97.46308135986328	180.0
97.59870910644531	140.0
98.0455551147461	252.0
98.1925048828125	224.0
98.24470520019531	220.0
98.29007720947266	184.0
98.46475219726562	240.0
98.49737548828125	152.0
99.38627624511719	148.0
99.50337219238281	192.0
99.7397689819336	152.0
100.3688735961914	168.0
100.57435607910156	192.0
100.85398864746094	192.0
100.86798095703125	168.0
101.07197570800781	212.0
101.66096496582031	176.0
101.96541595458984	200.0
102.04877471923828	188.0
102.8485336303711	176.0
104.02864837646484	188.0
104.9625015258789	248.0
105.04322052001953	172.0
105.11956787109375	140.0
105.9107666015625	196.0
106.04598999023438	200.0
106.42961120605469	184.0
106.86328887939453	172.0
106.89826965332031	200.0
107.0300064086914	140.0
107.1597671508789	152.0
107.46903991699219	144.0
107.57015991210938	188.0
107.766357421875	180.0
107.8531494140625	164.0
108.7064208984375	152.0
109.43809509277344	204.0
109.46099853515625	164.0
109.48806762695312	152.0
109.62347412109375	224.0
109.69943237304688	172.0
110.04273223876953	152.0
110.27251434326172	152.0
110.3791275024414	152.0
110.5674057006836	152.0
111.01348876953125	916.0
111.41451263427734	160.0
111.54060363769531	284.0
111.67937469482422	140.0
111.71092987060547	188.0
111.86664581298828	272.0
112.3260269165039	208.0
112.4230728149414	152.0
112.72875213623047	208.0
112.88147735595703	188.0
113.21371459960938	168.0
113.80107879638672	216.0
113.92850494384766	192.0
114.14955139160156	176.0
114.68390655517578	176.0
115.001708984375	160.0
115.32422637939453	244.0
116.21507263183594	148.0
116.77574920654297	140.0
116.96939849853516	140.0
117.26879119873047	156.0
117.39814758300781	168.0
117.4412841796875	160.0
117.58799743652344	228.0
117.83631896972656	176.0
118.85829162597656	152.0
118.99068450927734	144.0
119.6929702758789	196.0
120.33399963378906	196.0
120.99747467041016	148.0
121.40618896484375	144.0
121.6050033569336	216.0
121.64315032958984	152.0
121.88692474365234	152.0
122.0068130493164	2084.0
122.18595123291016	200.0
122.55362701416016	180.0
123.01374816894531	488.0
123.2283706665039	196.0
123.28180694580078	156.0
123.99746704101562	2060.0
124.43582916259766	148.0
125.00015258789062	260.0
125.01502227783203	260.0
125.0938720703125	196.0
125.90546417236328	144.0
125.99927520751953	236.0
126.11100769042969	152.0
126.2630386352539	144.0
126.76897430419922	144.0
127.00110626220703	2496.0
127.44578552246094	128.0
127.59358215332031	188.0
127.77938842773438	152.0
128.00328063964844	132.0
128.34471130371094	196.0
128.4146270751953	140.0
128.63800048828125	140.0
128.7373504638672	172.0
128.80284118652344	200.0
128.9862518310547	188.0
129.01495361328125	120.0
129.17779541015625	164.0
129.35231018066406	180.0
130.77322387695312	172.0
130.9007110595703	164.0
131.2151336669922	172.0
131.8839874267578	192.0
133.03915405273438	1056.0
133.58770751953125	140.0
134.0419464111328	176.0
134.41810607910156	124.0
134.79812622070312	180.0
135.05198669433594	144.0
135.24325561523438	160.0
135.63497924804688	164.0
135.9397430419922	160.0
135.9861602783203	172.0
136.2834014892578	196.0
136.41587829589844	184.0
136.88351440429688	212.0
136.95571899414062	152.0
137.04656982421875	152.0
137.06521606445312	160.0
137.53396606445312	184.0
137.8258819580078	148.0
137.97079467773438	200.0
138.02542114257812	10244.0
138.09481811523438	100.0
138.51449584960938	116.0
138.75975036621094	208.0
139.02658081054688	1068.0
139.97215270996094	148.0
140.02415466308594	468.0
140.0545654296875	160.0
140.10403442382812	180.0
140.65492248535156	184.0
140.98863220214844	168.0
141.3932647705078	152.0
142.0208282470703	160.0
142.32012939453125	168.0
142.3553924560547	132.0
142.41036987304688	180.0
142.5220184326172	252.0
143.14523315429688	140.0
143.65733337402344	148.0
143.7125244140625	176.0
143.81036376953125	144.0
144.2187957763672	148.0
144.5344696044922	148.0
144.60147094726562	200.0
144.6460418701172	148.0
144.67567443847656	140.0
144.99285888671875	296.0
145.23880004882812	156.0
145.43795776367188	152.0
146.02178955078125	140.0
146.06748962402344	208.0
146.34906005859375	164.0
146.4959716796875	152.0
146.87200927734375	212.0
146.9178466796875	180.0
147.03366088867188	144.0
147.734375	148.0
147.9642791748047	148.0
148.07261657714844	172.0
148.33250427246094	172.0
148.470703125	168.0
149.0189971923828	4216.0
149.1365203857422	116.0
149.2647705078125	176.0
150.02487182617188	9220.0
150.0731658935547	236.0
150.6758575439453	204.0
150.7884063720703	152.0
150.99131774902344	180.0
151.02871704101562	1080.0
151.33880615234375	232.0
151.57806396484375	164.0
151.8485107421875	168.0
151.94171142578125	164.0
152.0194091796875	368.0
152.13967895507812	168.0
152.23870849609375	168.0
153.015380859375	184.0
154.19479370117188	168.0
154.59295654296875	168.0
155.486083984375	132.0
155.79795837402344	172.0
155.9818572998047	140.0
156.02125549316406	188.0
156.33004760742188	208.0
157.84170532226562	200.0
159.47901916503906	188.0
159.51646423339844	168.0
159.9063262939453	188.0
159.9944305419922	180.0
160.40756225585938	168.0
161.4503173828125	184.0
161.51393127441406	104.0
162.11863708496094	180.0
163.23812866210938	144.0
163.91778564453125	140.0
164.03192138671875	8608.0
164.23553466796875	156.0
165.0117645263672	1032.0
165.03541564941406	452.0
165.35009765625	136.0
165.41696166992188	184.0
165.79347229003906	200.0
165.83447265625	164.0
165.9344482421875	248.0
165.9732666015625	200.0
166.01979064941406	23000.0
166.09304809570312	156.0
166.30641174316406	152.0
166.33155822753906	144.0
167.0244903564453	1788.0
168.017333984375	592.0
168.05889892578125	148.0
168.29786682128906	172.0
168.34716796875	112.0
168.39190673828125	140.0
169.02047729492188	908.0
169.81280517578125	180.0
170.5969696044922	164.0
170.7269744873047	156.0
171.02261352539062	132.0
171.09124755859375	200.0
171.2500762939453	248.0
171.3829345703125	140.0
171.4949951171875	156.0
172.03233337402344	172.0
172.2699737548828	152.0
172.5391387939453	140.0
172.5705108642578	164.0
172.98385620117188	176.0
173.09906005859375	144.0
173.55499267578125	164.0
173.98001098632812	156.0
174.0220184326172	240.0
174.09291076660156	172.0
174.57147216796875	188.0
175.33726501464844	156.0
176.03182983398438	4448.0
176.67332458496094	200.0
176.77651977539062	316.0
176.97767639160156	156.0
177.03515625	720.0
177.82862854003906	164.0
178.02774047851562	208.0
178.3040313720703	212.0
180.31619262695312	160.0
180.74940490722656	148.0
180.99395751953125	652.0
181.49671936035156	144.0
182.285888671875	160.0
183.2572479248047	172.0
183.9395294189453	144.0
183.96112060546875	156.0
184.21226501464844	172.0
184.26629638671875	160.0
185.07769775390625	164.0
186.4992218017578	196.0
186.76023864746094	164.0
187.02389526367188	156.0
187.9827423095703	176.0
188.42581176757812	176.0
188.63351440429688	164.0
188.65811157226562	164.0
189.90673828125	140.0
190.29916381835938	156.0
191.0824432373047	164.0
191.20315551757812	152.0
192.1155548095703	228.0
192.23226928710938	220.0
192.49366760253906	140.0
192.55442810058594	148.0
192.59739685058594	96.0
192.89151000976562	212.0
192.99404907226562	13860.0
193.19461059570312	132.0
193.45556640625	212.0
193.857421875	180.0
193.91839599609375	164.0
193.9957733154297	612.0
194.18179321289062	196.0
194.7960968017578	160.0
194.9923553466797	488.0
195.1882781982422	184.0
195.59603881835938	144.0
195.88563537597656	160.0
195.9225311279297	128.0
196.25070190429688	372.0
196.41246032714844	148.0
196.65240478515625	172.0
196.85621643066406	160.0
197.05172729492188	152.0
198.5829315185547	152.0
198.6390380859375	208.0
199.48988342285156	172.0
199.65577697753906	248.0
200.02435302734375	140.0
200.17356872558594	140.0
200.404541015625	152.0
201.1829376220703	204.0
202.0363311767578	2324.0
202.1693572998047	144.0
202.44003295898438	208.0
202.70741271972656	140.0
203.04074096679688	96.0
203.60951232910156	164.0
204.04351806640625	160.0
204.3286590576172	144.0
204.99208068847656	156.0
205.23721313476562	196.0
205.62803649902344	152.0
206.3192901611328	156.0
207.01168823242188	148.0
207.03460693359375	212.0
207.84584045410156	196.0
207.95059204101562	288.0
208.00392150878906	16844.0
208.2555389404297	180.0
208.2838592529297	132.0
208.40286254882812	160.0
208.50961303710938	192.0
208.9203643798828	188.0
209.00616455078125	1516.0
209.31314086914062	120.0
209.58831787109375	172.0
209.83041381835938	292.0
210.0015869140625	516.0
210.43051147460938	184.0
211.09507751464844	148.0
211.4161834716797	196.0
211.79835510253906	168.0
212.4186553955078	156.0
212.51730346679688	188.0
214.08987426757812	172.0
214.44529724121094	204.0
214.71351623535156	192.0
215.02706909179688	176.0
215.39356994628906	168.0
216.34979248046875	148.0
217.0207061767578	160.0
217.440185546875	176.0
217.49595642089844	208.0
217.99229431152344	440.0
218.87770080566406	176.0
218.9939422607422	236.0
219.3844451904297	184.0
219.54661560058594	204.0
219.57020568847656	156.0
219.98919677734375	176.0
221.68096923828125	156.0
222.20579528808594	156.0
223.67977905273438	156.0
224.11160278320312	144.0
225.1914825439453	172.0
226.08837890625	144.0
227.37704467773438	212.0
227.51812744140625	156.0
227.98667907714844	156.0
228.2181396484375	160.0
228.3414306640625	184.0
228.6874237060547	176.0
229.90802001953125	164.0
230.44247436523438	164.0
230.70843505859375	208.0
231.0410919189453	148.0
231.10340881347656	140.0
231.19842529296875	156.0
231.34674072265625	196.0
231.52537536621094	148.0
231.63441467285156	200.0
232.1557159423828	240.0
232.8203125	140.0
233.0754852294922	188.0
233.28016662597656	128.0
233.33056640625	168.0
233.7189178466797	96.0
233.7779083251953	140.0
233.94834899902344	244.0
234.0009002685547	284.0
234.0729522705078	216.0
234.1368865966797	108.0
234.222412109375	168.0
234.2489471435547	180.0
234.295654296875	108.0
234.40402221679688	140.0
234.46412658691406	168.0
234.51319885253906	120.0
234.5727081298828	188.0
234.61338806152344	236.0
234.66233825683594	276.0
234.6886749267578	152.0
234.71665954589844	136.0
234.7522735595703	116.0
234.77374267578125	260.0
234.81446838378906	156.0
234.8571014404297	412.0
234.88499450683594	384.0
234.9441375732422	368.0
235.01673889160156	282860.0
235.12973022460938	1684.0
235.22061157226562	132.0
235.29505920410156	192.0
235.3771514892578	236.0
235.41961669921875	120.0
235.44419860839844	172.0
235.4871368408203	372.0
235.5177459716797	5808.0
235.59181213378906	268.0
235.6595916748047	168.0
235.78485107421875	220.0
235.81512451171875	124.0
235.8548583984375	248.0
235.88302612304688	124.0
235.90536499023438	152.0
235.93988037109375	156.0
235.97145080566406	144.0
236.0184326171875	36192.0
236.0950927734375	104.0
236.13027954101562	192.0
236.18406677246094	156.0
236.26759338378906	164.0
236.35667419433594	184.0
236.39173889160156	248.0
236.43508911132812	128.0
236.48739624023438	124.0
236.5899200439453	216.0
236.78468322753906	128.0
236.9000701904297	204.0
237.0122833251953	19116.0
237.08621215820312	256.0
237.1282501220703	172.0
237.1802978515625	100.0
237.2446746826172	140.0
237.3389434814453	144.0
237.3738555908203	348.0
237.40475463867188	192.0
237.45458984375	240.0
237.56265258789062	180.0
237.58340454101562	112.0
237.6445770263672	304.0
237.69166564941406	224.0
237.72947692871094	224.0
237.7909698486328	212.0
237.8489990234375	204.0
237.89443969726562	180.0
238.01510620117188	1364.0
238.06236267089844	108.0
238.09144592285156	220.0
238.32252502441406	124.0
238.53387451171875	228.0
238.6831512451172	128.0
238.713134765625	232.0
238.7967987060547	104.0
239.5647430419922	140.0
239.839111328125	104.0
241.9735870361328	140.0
244.12696838378906	140.0
244.307373046875	140.0
245.93197631835938	108.0
247.38890075683594	104.0
249.07449340820312	184.0
252.83905029296875	180.0
253.0289764404297	148.0
261.03460693359375	148.0
276.0445556640625	216.0
277.0487365722656	144.0
375.31927490234375	156.0
636.6524047851562	124.0
804.7566528320312	144.0
1002.4791259765625	148.0
1016.5809936523438	168.0
1190.6822509765625	208.0
1219.319091796875	176.0
1227.1641845703125	156.0
1260.9080810546875	176.0
1273.71826171875	208.0
1287.64990234375	148.0
1402.4349365234375	160.0
1502.476318359375	208.0
1507.471923828125	196.0
1569.06640625	160.0
1586.2208251953125	164.0
1587.299072265625	224.0
1603.373046875	152.0
1610.369873046875	180.0
1617.6861572265625	192.0
1619.44775390625	140.0
1625.2838134765625	168.0
1639.8876953125	164.0
1664.6839599609375	188.0
1665.3660888671875	148.0
1682.0091552734375	140.0
1682.8990478515625	144.0
1690.435302734375	164.0
1726.988037109375	176.0
1729.4537353515625	172.0
1736.9110107421875	176.0
1741.1190185546875	216.0
1772.853759765625	236.0
1790.3779296875	152.0
1802.7449951171875	144.0
1816.87646484375	164.0
1825.591064453125	192.0
1827.4793701171875	200.0
1868.401123046875	208.0
1875.82421875	168.0
1881.0516357421875	184.0
1886.56298828125	148.0
1896.6734619140625	168.0
1901.400390625	164.0
1902.76318359375	212.0
1906.706787109375	148.0
1913.6744384765625	208.0
1917.637939453125	200.0
1920.244873046875	192.0
1924.529541015625	144.0
1929.9554443359375	148.0
1945.4976806640625	176.0
1963.738525390625	364.0
1965.1676025390625	152.0
1965.5382080078125	148.0
2000.04833984375	152.0
2002.666015625	176.0
2002.9688720703125	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079178
PEPMASS=372.16568
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Trazodone hydrochloride 25332-39-2 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Clc1cccc(c1)N2CCN(CCCn3nc4ccccn4c3=O)CC2
INCHI=InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2
INCHIAUX=PHLBKPHSAVXXEF-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079178
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079178
SCANS=1102
45.2226448059082	140.0
45.320404052734375	184.0
45.37803649902344	208.0
45.44912338256836	184.0
45.695003509521484	160.0
46.12384796142578	200.0
46.19551467895508	148.0
46.3769645690918	148.0
46.91764450073242	384.0
46.95343780517578	140.0
47.30459213256836	208.0
47.948787689208984	180.0
49.04652786254883	180.0
49.0590705871582	148.0
49.41947555541992	144.0
50.00695037841797	116.0
50.21590805053711	204.0
50.398014068603516	256.0
50.75470733642578	160.0
50.902278900146484	156.0
51.97285079956055	200.0
52.08483123779297	140.0
52.16386413574219	148.0
52.58012390136719	156.0
52.63064956665039	184.0
53.558807373046875	152.0
53.60251235961914	168.0
53.63457489013672	176.0
53.70018768310547	168.0
54.04348373413086	140.0
54.10348892211914	160.0
54.978057861328125	208.0
55.555110931396484	256.0
55.612979888916016	180.0
55.84178924560547	148.0
55.95339584350586	160.0
56.07405090332031	156.0
56.20378875732422	204.0
56.22916030883789	204.0
56.244083404541016	180.0
57.119171142578125	156.0
57.42644119262695	240.0
57.77235412597656	140.0
57.926761627197266	148.0
58.29544448852539	168.0
58.579959869384766	192.0
58.642433166503906	152.0
59.219974517822266	188.0
59.657291412353516	140.0
59.96360397338867	148.0
61.160400390625	156.0
61.42733383178711	180.0
61.82770538330078	212.0
61.88523864746094	184.0
62.20976638793945	220.0
62.22232437133789	152.0
62.78879928588867	168.0
63.02400588989258	184.0
63.915122985839844	160.0
64.25489044189453	160.0
64.3805923461914	204.0
64.53719329833984	144.0
64.8846206665039	156.0
64.90225982666016	144.0
65.0781021118164	216.0
65.26031494140625	156.0
65.36808013916016	220.0
65.69837951660156	140.0
65.77422332763672	168.0
65.90180206298828	152.0
66.02627563476562	232.0
66.49124145507812	176.0
66.86178588867188	144.0
67.92216491699219	244.0
69.13479614257812	200.0
69.67866516113281	140.0
70.47673797607422	192.0
71.13826751708984	168.0
71.23735046386719	180.0
71.27095031738281	152.0
72.2319107055664	220.0
72.3943862915039	144.0
72.4299545288086	140.0
72.88291931152344	156.0
73.06143951416016	224.0
73.1329116821289	200.0
73.50784301757812	148.0
74.08916473388672	160.0
74.59197235107422	196.0
74.67450714111328	160.0
75.13787841796875	184.0
75.36231994628906	140.0
75.77583312988281	164.0
75.96306610107422	144.0
76.1036376953125	232.0
76.21305847167969	156.0
77.0371322631836	180.0
77.47469329833984	192.0
77.49024200439453	144.0
77.64449310302734	156.0
77.79890441894531	180.0
79.1760025024414	140.0
79.31774139404297	148.0
79.50752258300781	228.0
79.97850799560547	168.0
80.63844299316406	172.0
80.99688720703125	132.0
81.39801788330078	156.0
81.93220520019531	156.0
82.00788879394531	176.0
83.08199310302734	176.0
83.45430755615234	144.0
84.1703872680664	140.0
84.44634246826172	152.0
84.67511749267578	184.0
85.62646484375	160.0
85.64119720458984	176.0
85.86421203613281	160.0
86.77213287353516	208.0
86.93681335449219	148.0
87.26971435546875	156.0
87.32060241699219	152.0
87.45731353759766	232.0
87.56000518798828	144.0
88.15885162353516	164.0
88.92106628417969	148.0
89.34761810302734	204.0
89.6375732421875	164.0
89.93932342529297	260.0
90.06016540527344	140.0
90.38343811035156	172.0
90.57275390625	164.0
90.99374389648438	164.0
91.6937484741211	176.0
92.04042053222656	220.0
92.93289184570312	144.0
93.09029388427734	204.0
93.14215087890625	172.0
93.62682342529297	148.0
93.69424438476562	240.0
94.71420288085938	164.0
94.87116241455078	196.0
94.90994262695312	152.0
95.0593032836914	144.0
95.19906616210938	176.0
95.22122192382812	140.0
95.82150268554688	148.0
96.16665649414062	148.0
96.25450134277344	152.0
96.2994155883789	192.0
96.46746063232422	236.0
96.91563415527344	180.0
97.33146667480469	148.0
97.43556213378906	168.0
98.08101654052734	196.0
98.88093566894531	208.0
99.04527282714844	224.0
99.30889129638672	176.0
99.48350524902344	140.0
99.62297058105469	140.0
99.7755355834961	152.0
100.35489654541016	156.0
100.55602264404297	160.0
101.17786407470703	144.0
101.31221008300781	244.0
101.5607681274414	144.0
101.67914581298828	204.0
102.33445739746094	156.0
102.87677764892578	232.0
103.21620178222656	144.0
103.5764389038086	212.0
103.60682678222656	140.0
104.11390686035156	216.0
104.42078399658203	152.0
104.9380111694336	172.0
105.04522705078125	696.0
105.20731353759766	268.0
105.37068939208984	176.0
105.85749816894531	184.0
106.0509033203125	148.0
106.06412506103516	412.0
106.09722137451172	156.0
107.06067657470703	180.0
107.1938247680664	156.0
107.99202728271484	248.0
108.43887329101562	204.0
108.63602447509766	148.0
108.74583435058594	148.0
108.76654052734375	176.0
109.00334930419922	164.0
109.3349838256836	160.0
110.0072250366211	248.0
110.42511749267578	152.0
110.77047729492188	164.0
110.91925811767578	152.0
111.0912094116211	172.0
111.31997680664062	148.0
111.72361755371094	188.0
112.34076690673828	212.0
112.54759979248047	192.0
112.69689178466797	176.0
113.11418151855469	144.0
113.1967544555664	204.0
113.52520751953125	156.0
113.67794799804688	208.0
114.00285339355469	156.0
114.36227416992188	216.0
114.90139770507812	192.0
115.03370666503906	140.0
115.91915130615234	208.0
116.04999542236328	456.0
116.38032531738281	196.0
116.43400573730469	144.0
116.74562072753906	180.0
116.91127014160156	160.0
116.93278503417969	168.0
117.05360412597656	196.0
117.0793685913086	140.0
117.10527038574219	180.0
117.24506378173828	144.0
117.44342041015625	192.0
117.67215728759766	152.0
117.70454406738281	176.0
117.80821990966797	160.0
118.04942321777344	168.0
118.06742858886719	356.0
118.24282836914062	172.0
118.39220428466797	144.0
118.96678161621094	140.0
119.0587158203125	556.0
119.22959899902344	192.0
119.34915924072266	208.0
119.45355224609375	196.0
119.49923706054688	236.0
119.56668853759766	152.0
120.0354232788086	404.0
120.05828094482422	404.0
120.0830307006836	156.0
120.74259948730469	184.0
120.77978515625	156.0
120.94388580322266	204.0
121.0404052734375	612.0
121.07573699951172	888.0
121.65849304199219	216.0
121.83856964111328	140.0
122.04736328125	200.0
122.14098358154297	176.0
122.77404022216797	216.0
122.81153106689453	144.0
123.00570678710938	148.0
123.6024169921875	140.0
123.96778869628906	180.0
123.98551940917969	172.0
124.08305358886719	164.0
124.46023559570312	192.0
124.52240753173828	176.0
124.7023696899414	236.0
124.72682189941406	200.0
125.01372528076172	256.0
125.27761840820312	172.0
125.4339370727539	148.0
125.87641143798828	192.0
126.34198760986328	164.0
126.45318603515625	184.0
126.60542297363281	140.0
126.7039794921875	240.0
127.20630645751953	156.0
127.41740417480469	160.0
128.21168518066406	200.0
128.62669372558594	140.0
128.65603637695312	184.0
129.2323455810547	156.0
130.37747192382812	160.0
130.79368591308594	220.0
131.0615997314453	424.0
131.1302032470703	176.0
131.28565979003906	128.0
132.00140380859375	220.0
132.04171752929688	176.0
132.06756591796875	420.0
132.25515747070312	196.0
132.41477966308594	172.0
132.5247344970703	144.0
133.0315704345703	164.0
133.07603454589844	5016.0
133.44969177246094	148.0
134.07862854003906	632.0
134.9830322265625	144.0
135.0433349609375	936.0
135.17039489746094	160.0
135.62411499023438	156.0
136.0506134033203	1284.0
136.29965209960938	164.0
136.48831176757812	120.0
136.56698608398438	152.0
137.0558624267578	176.0
137.3192901611328	216.0
137.47093200683594	196.0
137.50144958496094	264.0
137.67869567871094	156.0
138.01109313964844	224.0
138.59097290039062	148.0
139.14215087890625	212.0
139.9970703125	228.0
140.0286407470703	180.0
140.111083984375	176.0
140.61569213867188	188.0
140.75497436523438	168.0
141.35450744628906	260.0
141.83377075195312	192.0
141.99737548828125	144.0
142.286865234375	212.0
142.7454376220703	240.0
143.6719512939453	144.0
143.72682189941406	144.0
143.86524963378906	148.0
143.96910095214844	160.0
144.0491180419922	256.0
144.27613830566406	164.0
144.7498779296875	220.0
145.55316162109375	156.0
145.7044677734375	152.0
145.91836547851562	172.0
146.0358123779297	272.0
146.18295288085938	176.0
146.44776916503906	184.0
146.5730438232422	272.0
147.0593719482422	212.0
147.51187133789062	200.0
147.78515625	248.0
147.80824279785156	128.0
147.88436889648438	168.0
148.0514373779297	110232.0
148.0873565673828	17952.0
148.36329650878906	168.0
148.54403686523438	144.0
148.59922790527344	172.0
148.71746826171875	320.0
149.05450439453125	7136.0
149.0902862548828	2200.0
149.2513427734375	140.0
149.3345489501953	168.0
149.3551025390625	184.0
149.4689483642578	148.0
149.75877380371094	144.0
150.05828857421875	316.0
150.0980224609375	216.0
150.12135314941406	176.0
150.21263122558594	180.0
150.25184631347656	132.0
150.32102966308594	108.0
150.36952209472656	152.0
150.39027404785156	140.0
151.18455505371094	156.0
151.21636962890625	224.0
151.60577392578125	176.0
151.93678283691406	148.0
152.15765380859375	168.0
152.3541259765625	196.0
152.523681640625	224.0
152.68191528320312	112.0
153.3704071044922	160.0
153.39013671875	148.0
153.92303466796875	144.0
153.95513916015625	168.0
154.0414276123047	1080.0
154.5780792236328	288.0
154.6300506591797	220.0
154.6622314453125	204.0
154.8157196044922	200.0
155.93460083007812	172.0
156.0369415283203	188.0
156.22552490234375	156.0
156.24542236328125	200.0
156.67611694335938	220.0
156.72344970703125	144.0
156.8936004638672	176.0
157.1437225341797	176.0
158.03428649902344	212.0
159.05926513671875	160.0
160.04505920410156	200.0
160.2412109375	140.0
161.40982055664062	172.0
162.0687713623047	96.0
162.36705017089844	168.0
162.86196899414062	168.0
162.9508819580078	180.0
163.0668487548828	188.0
163.0939483642578	132.0
163.21266174316406	164.0
163.30027770996094	124.0
163.92030334472656	144.0
164.04444885253906	140.0
164.61924743652344	148.0
165.5295867919922	176.0
165.79600524902344	156.0
166.04405212402344	792.0
166.545166015625	148.0
166.59140014648438	148.0
166.61195373535156	172.0
167.0490264892578	204.0
167.38487243652344	132.0
167.73135375976562	192.0
168.04161071777344	180.0
168.30923461914062	176.0
168.89071655273438	180.0
169.29661560058594	124.0
169.35887145996094	156.0
169.53277587890625	144.0
169.68959045410156	168.0
170.503173828125	160.0
170.56834411621094	156.0
170.91683959960938	152.0
170.93765258789062	160.0
171.0732421875	168.0
171.4666290283203	188.0
171.96095275878906	180.0
172.04273986816406	204.0
172.45806884765625	208.0
173.0841827392578	144.0
173.21426391601562	176.0
173.9957275390625	164.0
174.03163146972656	148.0
174.05874633789062	176.0
174.14015197753906	160.0
174.40289306640625	180.0
174.56326293945312	176.0
174.75160217285156	144.0
175.07115173339844	160.0
175.10411071777344	132.0
175.44265747070312	160.0
175.51524353027344	128.0
175.59429931640625	140.0
175.7565155029297	340.0
175.78817749023438	156.0
175.83163452148438	156.0
175.90530395507812	176.0
175.9749755859375	152.0
176.04820251464844	164.0
176.0828094482422	153120.0
176.14926147460938	236.0
176.21151733398438	136.0
176.24356079101562	128.0
176.2955322265625	156.0
176.51608276367188	160.0
176.5579376220703	164.0
176.5885772705078	148.0
176.7150421142578	164.0
176.81480407714844	108.0
177.03810119628906	96.0
177.0850830078125	10064.0
177.61367797851562	176.0
177.9264373779297	132.0
178.05165100097656	256.0
178.0853729248047	604.0
178.12100219726562	156.0
178.1638641357422	152.0
178.30038452148438	180.0
178.3943634033203	144.0
178.43768310546875	268.0
178.4794464111328	316.0
178.50088500976562	124.0
179.05157470703125	160.0
179.08885192871094	168.0
179.36636352539062	108.0
179.4013671875	144.0
179.50726318359375	148.0
180.03297424316406	104.0
180.0570068359375	144.0
181.04383850097656	172.0
181.0652618408203	196.0
181.34840393066406	112.0
182.32078552246094	240.0
182.41217041015625	148.0
182.98788452148438	168.0
183.17369079589844	152.0
184.46353149414062	156.0
184.655517578125	152.0
185.43795776367188	156.0
186.34312438964844	128.0
186.76565551757812	156.0
188.3711395263672	192.0
188.48863220214844	180.0
190.66995239257812	156.0
190.78814697265625	160.0
191.03289794921875	164.0
191.06590270996094	144.0
192.3390350341797	176.0
192.9965362548828	180.0
193.0574951171875	148.0
193.48069763183594	168.0
193.73768615722656	280.0
194.0599365234375	324.0
194.520263671875	180.0
195.0660400390625	108.0
195.4318084716797	148.0
195.45127868652344	180.0
195.86355590820312	208.0
196.0620574951172	164.0
196.24510192871094	140.0
197.05169677734375	168.0
197.0867156982422	560.0
197.43280029296875	224.0
198.0801239013672	180.0
198.8354034423828	152.0
199.07774353027344	484.0
199.1470489501953	176.0
199.18917846679688	140.0
199.80482482910156	232.0
199.8385772705078	152.0
199.92018127441406	164.0
200.08343505859375	168.0
200.9035186767578	212.0
200.92608642578125	184.0
201.4500274658203	136.0
201.53591918945312	196.0
203.1439971923828	140.0
203.44195556640625	156.0
204.83534240722656	144.0
205.77072143554688	156.0
206.76260375976562	140.0
207.06320190429688	160.0
208.07540893554688	168.0
209.0856170654297	2432.0
209.282958984375	164.0
209.32327270507812	208.0
209.50759887695312	176.0
209.65167236328125	160.0
210.08750915527344	316.0
210.5402069091797	152.0
211.08042907714844	1004.0
211.1598663330078	148.0
211.55218505859375	188.0
212.08090209960938	324.0
212.662353515625	204.0
212.9091339111328	140.0
213.6852264404297	176.0
214.04324340820312	148.0
214.33743286132812	148.0
216.0132293701172	156.0
216.5400848388672	176.0
216.94737243652344	172.0
217.78366088867188	144.0
218.048095703125	144.0
218.46856689453125	164.0
218.52066040039062	152.0
218.91299438476562	180.0
219.12709045410156	432.0
219.28713989257812	176.0
219.85633850097656	148.0
220.42921447753906	172.0
220.5931396484375	224.0
220.9732666015625	188.0
221.50021362304688	164.0
221.6750030517578	156.0
223.59043884277344	140.0
223.79583740234375	144.0
223.90899658203125	156.0
226.09432983398438	172.0
226.91586303710938	120.0
227.0609588623047	220.0
227.11790466308594	224.0
227.9475860595703	148.0
228.17601013183594	140.0
228.3925323486328	140.0
228.77166748046875	212.0
229.06979370117188	144.0
229.15414428710938	168.0
229.4464874267578	196.0
229.6243896484375	148.0
230.270263671875	144.0
231.39703369140625	172.0
231.94041442871094	144.0
232.21026611328125	196.0
233.37635803222656	140.0
233.7651824951172	144.0
234.0518341064453	188.0
234.71607971191406	156.0
234.96923828125	148.0
235.10208129882812	388.0
236.05735778808594	160.0
236.0975341796875	136.0
236.858642578125	124.0
237.11549377441406	2000.0
238.1167449951172	456.0
239.1119842529297	344.0
239.29368591308594	148.0
239.51034545898438	136.0
239.56161499023438	144.0
240.1133575439453	280.0
240.18502807617188	128.0
240.49102783203125	108.0
241.14453125	148.0
241.6083526611328	144.0
241.66094970703125	140.0
243.83470153808594	224.0
243.9378204345703	156.0
244.4162139892578	272.0
245.01089477539062	176.0
245.1012420654297	148.0
245.25082397460938	148.0
245.81219482421875	140.0
246.14010620117188	148.0
246.30233764648438	156.0
246.7210693359375	140.0
247.08071899414062	172.0
247.26220703125	200.0
247.93553161621094	192.0
248.02955627441406	168.0
248.26470947265625	152.0
248.4058380126953	208.0
248.62232971191406	148.0
248.67568969726562	164.0
248.80123901367188	152.0
249.564697265625	140.0
250.1982421875	108.0
250.63169860839844	164.0
250.89013671875	200.0
251.1739501953125	196.0
251.69589233398438	188.0
252.49732971191406	156.0
253.57058715820312	152.0
253.70372009277344	176.0
253.97007751464844	216.0
255.2626495361328	164.0
255.92129516601562	148.0
256.3014831542969	156.0
256.77447509765625	136.0
257.0018005371094	192.0
257.2858581542969	188.0
257.45916748046875	128.0
258.18389892578125	132.0
258.32122802734375	152.0
259.147216796875	140.0
260.6199035644531	200.0
262.7477111816406	112.0
262.82550048828125	196.0
262.9093933105469	172.0
263.9467468261719	152.0
264.3021240234375	192.0
264.5643005371094	164.0
265.0987243652344	156.0
265.19268798828125	188.0
265.46826171875	192.0
265.74072265625	148.0
265.8454895019531	152.0
265.9971008300781	148.0
266.4842224121094	184.0
266.62396240234375	152.0
267.8896484375	188.0
267.9548034667969	140.0
268.01019287109375	156.0
268.23504638671875	152.0
268.4107360839844	144.0
268.8221130371094	152.0
269.34576416015625	164.0
269.43267822265625	148.0
269.71722412109375	112.0
269.9000549316406	148.0
270.0014343261719	180.0
270.1355285644531	144.0
270.9736022949219	160.0
272.2460021972656	136.0
272.58135986328125	168.0
272.60888671875	96.0
273.8083801269531	180.0
273.8973083496094	188.0
274.0253601074219	152.0
274.1983642578125	184.0
275.1108093261719	160.0
276.7241516113281	180.0
277.4563293457031	168.0
277.5591125488281	148.0
277.6188049316406	140.0
278.16778564453125	136.0
278.4551086425781	152.0
278.548095703125	148.0
278.62451171875	156.0
278.7153625488281	116.0
279.5255432128906	176.0
279.7951354980469	176.0
281.2552185058594	176.0
281.3620300292969	160.0
281.5701599121094	196.0
282.3076171875	144.0
282.7793273925781	184.0
283.00360107421875	148.0
283.1911315917969	200.0
283.3619689941406	156.0
283.7155456542969	104.0
284.2413330078125	164.0
284.2840576171875	224.0
284.8245849609375	144.0
284.96234130859375	168.0
286.604248046875	160.0
287.00537109375	144.0
287.3263854980469	220.0
287.973876953125	216.0
288.1015625	140.0
288.45367431640625	264.0
288.8560791015625	148.0
288.889892578125	160.0
288.92034912109375	172.0
290.6414794921875	152.0
290.6788024902344	156.0
290.7975769042969	164.0
290.9692077636719	100.0
291.8408203125	172.0
291.8710632324219	164.0
291.94927978515625	168.0
292.09210205078125	140.0
292.2009582519531	232.0
292.3540954589844	176.0
293.0453186035156	196.0
293.6077575683594	164.0
294.1297607421875	144.0
294.3892517089844	160.0
295.759033203125	188.0
295.9595642089844	204.0
296.2087707519531	152.0
297.0382995605469	176.0
297.0760192871094	148.0
297.58050537109375	148.0
297.71099853515625	176.0
298.1094970703125	212.0
299.3398132324219	164.0
299.4066162109375	136.0
299.79913330078125	172.0
300.5404968261719	148.0
301.4382629394531	164.0
301.4659118652344	144.0
301.8357849121094	140.0
302.4931335449219	212.0
302.58660888671875	144.0
302.99871826171875	160.0
303.0939636230469	156.0
303.359130859375	184.0
303.55328369140625	176.0
304.8758850097656	148.0
304.90716552734375	276.0
304.983642578125	152.0
305.8636474609375	144.0
306.27801513671875	164.0
306.3650817871094	180.0
306.3917541503906	160.0
307.20281982421875	140.0
307.7531433105469	180.0
307.8823547363281	224.0
308.0849304199219	148.0
308.3155517578125	164.0
308.343505859375	160.0
308.8609619140625	168.0
308.9618835449219	132.0
309.8096008300781	196.0
310.0109558105469	124.0
311.4161071777344	172.0
311.5495910644531	180.0
315.09295654296875	152.0
315.28802490234375	168.0
315.489501953125	156.0
315.9775390625	192.0
316.1827697753906	180.0
316.8874206542969	192.0
317.929931640625	172.0
318.4162902832031	288.0
318.49798583984375	152.0
319.1518859863281	180.0
319.56964111328125	184.0
321.0051574707031	152.0
321.03912353515625	184.0
322.469482421875	156.0
322.8460998535156	164.0
323.6333312988281	144.0
324.55059814453125	180.0
324.9486999511719	144.0
325.0013427734375	108.0
325.3363037109375	232.0
325.6199645996094	228.0
325.7469787597656	164.0
326.0906066894531	140.0
326.27032470703125	140.0
326.486083984375	168.0
326.755859375	176.0
327.6919250488281	192.0
328.0775451660156	152.0
328.5788269042969	168.0
328.7411804199219	140.0
328.89276123046875	168.0
328.9830017089844	180.0
329.5753173828125	188.0
330.7397766113281	164.0
330.9135437011719	148.0
332.0999450683594	184.0
332.5039978027344	116.0
333.7981262207031	144.0
333.8890380859375	180.0
334.387451171875	152.0
334.79156494140625	152.0
335.3526306152344	156.0
336.21331787109375	152.0
336.51263427734375	164.0
337.827880859375	108.0
337.86065673828125	184.0
338.5932922363281	164.0
338.9815979003906	152.0
340.8089294433594	144.0
341.6361389160156	196.0
343.10552978515625	144.0
344.9993591308594	172.0
347.0141906738281	140.0
347.9259948730469	164.0
348.1264953613281	152.0
349.1335754394531	164.0
349.1788024902344	152.0
349.2079772949219	176.0
349.88519287109375	156.0
350.7456970214844	144.0
350.7972717285156	168.0
350.94329833984375	164.0
351.1558532714844	144.0
351.34234619140625	180.0
352.2905578613281	196.0
353.352294921875	152.0
354.1629943847656	176.0
354.411865234375	148.0
354.65545654296875	188.0
355.3266906738281	220.0
355.70379638671875	188.0
356.3816833496094	192.0
356.43804931640625	212.0
356.6973571777344	160.0
357.1269836425781	124.0
357.41192626953125	144.0
358.3069152832031	164.0
359.6466979980469	200.0
360.0317687988281	192.0
360.5417785644531	156.0
361.3541259765625	160.0
361.4419860839844	152.0
361.490966796875	152.0
361.6385803222656	140.0
361.7483215332031	248.0
362.0794677734375	136.0
362.1194152832031	196.0
362.4451904296875	164.0
362.51116943359375	232.0
363.5069274902344	140.0
363.5372619628906	152.0
363.84222412109375	152.0
363.93963623046875	160.0
364.61578369140625	152.0
365.3952941894531	148.0
366.5706787109375	112.0
366.7738342285156	144.0
367.1589050292969	168.0
367.529296875	208.0
367.9831237792969	184.0
368.1421203613281	116.0
368.36883544921875	176.0
368.9305725097656	140.0
369.0596618652344	180.0
369.1408386230469	180.0
369.3997802734375	188.0
369.5498962402344	228.0
369.60272216796875	128.0
369.84661865234375	160.0
370.14190673828125	148.0
370.2586669921875	116.0
370.2984924316406	160.0
370.39068603515625	108.0
370.43603515625	220.0
370.4796447753906	200.0
370.5679931640625	124.0
370.64776611328125	184.0
370.6908264160156	268.0
370.7431945800781	160.0
370.7844543457031	124.0
370.84063720703125	184.0
370.9458312988281	236.0
371.0077819824219	136.0
371.1289978027344	132.0
371.16534423828125	324.0
371.2300720214844	200.0
371.31005859375	136.0
371.40399169921875	332.0
371.4413757324219	260.0
371.51458740234375	316.0
371.5660705566406	440.0
371.62445068359375	116.0
371.63433837890625	268.0
371.6596374511719	264.0
371.7023620605469	108.0
371.7591552734375	372.0
371.8027648925781	380.0
371.8194885253906	404.0
371.86688232421875	336.0
371.90118408203125	228.0
371.92987060546875	216.0
371.99774169921875	192.0
372.0516662597656	368.0
372.0984802246094	564.0
372.1615295410156	219524.0
372.2931213378906	132.0
372.41754150390625	136.0
372.4589538574219	104.0
372.51959228515625	960.0
372.5700378417969	308.0
372.6225891113281	300.0
372.74334716796875	252.0
372.795166015625	8692.0
372.8528747558594	664.0
372.8921813964844	492.0
372.96636962890625	124.0
372.9940490722656	184.0
373.0727233886719	212.0
373.163330078125	101136.0
373.2673645019531	288.0
373.3590087890625	196.0
373.39141845703125	176.0
373.4168395996094	256.0
373.46734619140625	208.0
373.5082702636719	160.0
373.59185791015625	168.0
373.64703369140625	120.0
373.6934509277344	232.0
373.7212829589844	316.0
373.79571533203125	752.0
373.82928466796875	276.0
373.9069519042969	136.0
373.9551696777344	204.0
374.0306701660156	248.0
374.0860290527344	376.0
374.0998229980469	544.0
374.15814208984375	139244.0
374.2709655761719	280.0
374.3507385253906	184.0
374.4390869140625	152.0
374.4942321777344	172.0
374.650390625	156.0
374.7110900878906	204.0
374.7456359863281	184.0
374.78961181640625	468.0
374.8511962890625	148.0
374.9273376464844	180.0
374.9941101074219	300.0
375.0790710449219	320.0
375.15911865234375	24864.0
375.2354736328125	184.0
375.3181457519531	128.0
375.3878173828125	224.0
375.45794677734375	120.0
375.501953125	116.0
375.5671081542969	180.0
375.6408996582031	248.0
375.6839599609375	124.0
375.6995544433594	248.0
375.78546142578125	388.0
375.8307189941406	284.0
375.8562927246094	320.0
375.90985107421875	104.0
375.98052978515625	116.0
376.0386657714844	124.0
376.0921630859375	112.0
376.1601257324219	416.0
376.2579040527344	128.0
376.2972106933594	132.0
376.34771728515625	112.0
376.4571838378906	168.0
376.52447509765625	128.0
376.6148376464844	128.0
376.69586181640625	144.0
376.77386474609375	112.0
376.9464111328125	124.0
376.9909362792969	96.0
377.2302551269531	180.0
377.3118896484375	100.0
377.3939514160156	208.0
377.4776306152344	132.0
377.6086730957031	244.0
377.66644287109375	360.0
377.737060546875	164.0
377.8070068359375	204.0
378.0830078125	104.0
378.2271728515625	116.0
378.8199157714844	104.0
379.0113525390625	132.0
379.6785583496094	168.0
381.283935546875	108.0
381.7696533203125	96.0
385.19635009765625	152.0
386.380859375	140.0
386.6898193359375	96.0
389.1461486816406	104.0
389.3598327636719	160.0
390.603271484375	100.0
392.6144714355469	144.0
393.5733642578125	140.0
395.9079284667969	124.0
407.86102294921875	96.0
419.3917541503906	160.0
449.4794616699219	148.0
582.0516967773438	140.0
613.449462890625	144.0
966.3060302734375	144.0
1066.66748046875	148.0
1180.52490234375	120.0
1231.4974365234375	184.0
1315.7403564453125	224.0
1324.7293701171875	156.0
1336.2578125	164.0
1337.4439697265625	164.0
1379.9195556640625	188.0
1412.05859375	208.0
1421.1527099609375	180.0
1422.3609619140625	148.0
1428.79345703125	204.0
1444.0684814453125	188.0
1448.42822265625	208.0
1448.76904296875	172.0
1467.8690185546875	164.0
1471.3863525390625	168.0
1475.3819580078125	144.0
1478.1658935546875	232.0
1507.4639892578125	164.0
1523.9217529296875	148.0
1529.27978515625	140.0
1537.868896484375	168.0
1546.302001953125	260.0
1574.9371337890625	156.0
1578.0902099609375	144.0
1600.4810791015625	256.0
1602.002197265625	220.0
1610.002197265625	160.0
1617.597900390625	140.0
1626.0057373046875	216.0
1634.580322265625	220.0
1640.8466796875	204.0
1644.573486328125	200.0
1653.8118896484375	188.0
1660.37451171875	156.0
1667.6895751953125	244.0
1686.5911865234375	172.0
1698.3819580078125	148.0
1704.867919921875	164.0
1705.7391357421875	172.0
1705.8048095703125	196.0
1706.98876953125	196.0
1709.538818359375	172.0
1712.864990234375	156.0
1714.53759765625	200.0
1714.87548828125	176.0
1718.528564453125	204.0
1728.7830810546875	208.0
1745.73095703125	156.0
1748.61767578125	248.0
1751.37353515625	152.0
1753.2064208984375	180.0
1760.564453125	188.0
1761.1490478515625	160.0
1783.722412109375	184.0
1785.151611328125	140.0
1788.264404296875	148.0
1788.6768798828125	156.0
1788.862060546875	160.0
1791.893798828125	180.0
1796.3280029296875	176.0
1796.4293212890625	172.0
1797.3265380859375	168.0
1799.8980712890625	184.0
1801.308349609375	172.0
1806.346435546875	148.0
1809.714599609375	208.0
1815.7396240234375	224.0
1820.568359375	176.0
1823.9923095703125	148.0
1843.1507568359375	216.0
1844.894287109375	204.0
1845.749267578125	244.0
1846.715576171875	208.0
1848.323974609375	184.0
1850.7462158203125	168.0
1854.8240966796875	244.0
1855.5528564453125	184.0
1856.9591064453125	212.0
1857.06201171875	152.0
1858.202880859375	212.0
1868.022216796875	140.0
1871.55078125	180.0
1875.8583984375	220.0
1877.8759765625	180.0
1880.636962890625	228.0
1880.956298828125	208.0
1883.96142578125	192.0
1884.1256103515625	156.0
1885.5772705078125	184.0
1885.9833984375	148.0
1886.65771484375	200.0
1889.2607421875	144.0
1895.4598388671875	208.0
1896.361083984375	168.0
1902.250732421875	244.0
1908.2188720703125	184.0
1909.9407958984375	176.0
1914.9976806640625	164.0
1915.259033203125	176.0
1918.27392578125	180.0
1923.0538330078125	156.0
1923.682373046875	160.0
1925.2015380859375	160.0
1933.629150390625	176.0
1936.33447265625	144.0
1937.3330078125	188.0
1940.268798828125	156.0
1941.7769775390625	152.0
1942.5050048828125	188.0
1943.803466796875	140.0
1947.38525390625	192.0
1947.46435546875	196.0
1947.727783203125	148.0
1948.992919921875	164.0
1950.5484619140625	188.0
1951.506591796875	156.0
1952.6058349609375	196.0
1954.7347412109375	164.0
1957.983154296875	192.0
1959.8154296875	140.0
1964.637939453125	280.0
1967.2412109375	140.0
1970.738525390625	168.0
1971.7105712890625	188.0
1979.13232421875	144.0
1985.7874755859375	144.0
1998.9888916015625	184.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079179
PEPMASS=258.190308
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=(+)-3-HYDROXY-N-METHYLMORPHINAN D-TARTRATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CC[C@]23CCCC[C@@H]3[C@@H]1Cc4ccc(O)cc42
INCHI=InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1
INCHIAUX=JAQUASYNZVUNQP-PVAVHDDUSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079179
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079179
SCANS=1036
44.976593017578125	156.0
45.012779235839844	356.0
45.06487274169922	252.0
45.0755615234375	184.0
45.14774703979492	144.0
45.24091339111328	108.0
45.25755310058594	140.0
45.31372833251953	172.0
45.414268493652344	156.0
45.52834701538086	204.0
45.56998825073242	144.0
45.72732162475586	148.0
45.74278259277344	248.0
45.99689865112305	216.0
46.029300689697266	180.0
46.2442512512207	152.0
46.29975891113281	144.0
46.40681076049805	188.0
46.4597053527832	184.0
46.663421630859375	148.0
46.68183135986328	148.0
46.82807540893555	140.0
46.841697692871094	160.0
46.86077117919922	152.0
46.96574020385742	172.0
46.995750427246094	160.0
47.05034637451172	224.0
47.0694580078125	148.0
47.13365936279297	168.0
47.3278923034668	176.0
47.526641845703125	168.0
47.802833557128906	220.0
47.95882797241211	180.0
47.983272552490234	160.0
48.10785675048828	196.0
48.1198616027832	144.0
48.56268310546875	160.0
48.72092819213867	204.0
48.8154411315918	200.0
48.90030288696289	148.0
48.92118453979492	148.0
49.230716705322266	196.0
49.411685943603516	128.0
49.51041030883789	236.0
49.67570114135742	168.0
49.68821716308594	160.0
49.760005950927734	156.0
49.788089752197266	184.0
49.9952278137207	152.0
50.062320709228516	216.0
50.1285285949707	144.0
50.17504119873047	188.0
50.302005767822266	252.0
50.342952728271484	200.0
50.40934371948242	200.0
50.468711853027344	168.0
50.55021286010742	188.0
50.60737609863281	208.0
50.62706756591797	128.0
50.79160690307617	152.0
51.203792572021484	216.0
51.22943115234375	184.0
51.242252349853516	216.0
51.265480041503906	120.0
51.52759552001953	180.0
51.722084045410156	172.0
51.73857498168945	96.0
51.868186950683594	148.0
51.90070343017578	188.0
51.94157409667969	156.0
51.957096099853516	164.0
52.008758544921875	164.0
52.087730407714844	156.0
52.25624084472656	148.0
52.35525131225586	164.0
52.4907112121582	244.0
52.733245849609375	160.0
52.744808197021484	168.0
52.75637435913086	216.0
52.91840744018555	160.0
52.963836669921875	212.0
52.99488830566406	144.0
53.09229278564453	192.0
53.45401382446289	192.0
53.54468536376953	196.0
53.66813659667969	152.0
53.700218200683594	140.0
54.109375	140.0
54.1430549621582	152.0
54.16795349121094	212.0
54.374691009521484	220.0
54.46131896972656	152.0
54.734859466552734	176.0
54.78935241699219	184.0
55.04304122924805	152.0
55.06962203979492	156.0
55.093257904052734	140.0
56.09986114501953	176.0
56.32309341430664	152.0
56.372554779052734	144.0
56.39945602416992	156.0
56.562496185302734	180.0
56.6226806640625	132.0
56.802249908447266	172.0
56.91630935668945	252.0
56.98991012573242	156.0
57.00944519042969	200.0
57.233673095703125	124.0
57.25202941894531	220.0
57.41139221191406	200.0
57.489837646484375	164.0
57.5079460144043	176.0
57.52153015136719	164.0
57.57437515258789	212.0
57.80415725708008	140.0
57.848045349121094	140.0
58.12388229370117	160.0
58.66685485839844	172.0
58.694297790527344	224.0
58.71869659423828	160.0
58.99201202392578	192.0
59.268943786621094	152.0
59.38456726074219	152.0
59.52519226074219	296.0
59.56665802001953	164.0
59.586631774902344	144.0
59.62350845336914	188.0
59.672698974609375	152.0
59.712677001953125	168.0
59.94900894165039	180.0
60.12248229980469	152.0
60.18812942504883	160.0
60.35419464111328	140.0
60.44124221801758	232.0
60.45319366455078	236.0
60.46866989135742	148.0
60.83137130737305	180.0
60.857765197753906	156.0
61.201385498046875	140.0
61.37746047973633	156.0
61.58943557739258	256.0
61.63188552856445	216.0
61.71125411987305	164.0
61.971412658691406	160.0
62.0074577331543	164.0
62.40146255493164	164.0
62.448638916015625	168.0
62.5225830078125	176.0
62.533599853515625	156.0
62.634368896484375	180.0
62.76495361328125	200.0
62.80302429199219	184.0
62.83457565307617	180.0
62.846778869628906	188.0
62.8945426940918	164.0
63.02008819580078	128.0
63.33573913574219	136.0
63.533843994140625	172.0
63.59334945678711	232.0
63.65129470825195	156.0
63.87379455566406	152.0
63.916748046875	196.0
63.9629020690918	144.0
64.15565490722656	180.0
64.28779602050781	132.0
64.33113098144531	192.0
64.38381958007812	176.0
64.46369934082031	152.0
64.58360290527344	160.0
64.67000579833984	160.0
64.69401550292969	192.0
64.90866088867188	224.0
65.12054443359375	152.0
65.21372985839844	180.0
65.66533660888672	164.0
65.7783432006836	96.0
65.79104614257812	200.0
66.03762817382812	236.0
66.09101104736328	200.0
66.11528778076172	152.0
66.13794708251953	168.0
66.23509979248047	216.0
66.41177368164062	160.0
66.86344909667969	140.0
67.0857162475586	172.0
67.1021728515625	188.0
67.31275939941406	136.0
67.34679412841797	140.0
67.4310073852539	156.0
67.542724609375	132.0
67.78121185302734	148.0
67.80087280273438	160.0
68.03050994873047	148.0
68.1142578125	180.0
68.1816177368164	220.0
68.28565216064453	216.0
68.41354370117188	180.0
68.53047180175781	204.0
68.61077880859375	176.0
68.64090728759766	208.0
68.67059326171875	152.0
68.71227264404297	164.0
68.81745910644531	140.0
68.96778869628906	168.0
68.98432159423828	180.0
69.23747253417969	144.0
69.29105377197266	184.0
69.42103576660156	172.0
69.96141815185547	152.0
70.25138854980469	256.0
70.5335922241211	200.0
70.57705688476562	148.0
70.6540298461914	172.0
70.74101257324219	152.0
70.79124450683594	200.0
70.83646392822266	196.0
70.85321807861328	208.0
70.89163970947266	172.0
71.02252197265625	192.0
71.07476806640625	144.0
71.131591796875	160.0
71.14501953125	144.0
71.19482421875	176.0
71.23234558105469	156.0
71.34325408935547	220.0
71.39934539794922	168.0
71.41724395751953	140.0
71.80799102783203	176.0
71.82933044433594	148.0
71.92103576660156	320.0
72.16091918945312	196.0
72.1727523803711	144.0
72.67599487304688	112.0
72.99059295654297	136.0
73.27088165283203	208.0
73.7281723022461	160.0
73.83587646484375	180.0
73.99159240722656	220.0
74.16117858886719	156.0
74.1868896484375	228.0
74.30522155761719	244.0
75.04305267333984	140.0
75.08961486816406	144.0
75.2264633178711	180.0
75.34162902832031	216.0
75.357177734375	180.0
75.61137390136719	156.0
75.72390747070312	196.0
75.92147827148438	156.0
76.17646026611328	216.0
76.21310424804688	156.0
76.38695526123047	188.0
76.47047424316406	168.0
76.57667541503906	144.0
76.58887481689453	148.0
76.64287567138672	152.0
77.5088119506836	104.0
77.57264709472656	196.0
77.71821594238281	188.0
77.77436828613281	144.0
77.85513305664062	176.0
78.01150512695312	140.0
78.12053680419922	164.0
78.13461303710938	196.0
78.30620574951172	108.0
78.3476333618164	144.0
78.57061767578125	288.0
78.64563751220703	188.0
78.66682434082031	172.0
78.73391723632812	188.0
78.75687408447266	172.0
78.88285064697266	96.0
78.9442138671875	196.0
78.99019622802734	212.0
79.00482940673828	164.0
79.11761474609375	176.0
79.17073059082031	248.0
79.27879333496094	184.0
79.32487487792969	140.0
79.54704284667969	248.0
79.866455078125	160.0
79.9073715209961	148.0
80.22437286376953	192.0
80.52413940429688	184.0
80.80143737792969	156.0
80.85151672363281	136.0
80.96946716308594	156.0
81.34697723388672	212.0
81.45014953613281	140.0
81.60309600830078	144.0
81.7575912475586	144.0
81.83859252929688	152.0
82.04398345947266	196.0
82.13646697998047	140.0
82.19367980957031	212.0
82.20631408691406	148.0
82.41259002685547	140.0
82.87535095214844	144.0
82.93153381347656	144.0
83.02581024169922	168.0
83.05845642089844	200.0
83.21633911132812	140.0
83.26536560058594	148.0
83.37458801269531	168.0
83.39051818847656	176.0
83.52527618408203	232.0
83.5416488647461	348.0
83.61807250976562	148.0
83.78923797607422	248.0
83.91219329833984	120.0
84.04722595214844	112.0
84.13288879394531	192.0
84.25810241699219	400.0
84.30744171142578	164.0
84.82540893554688	144.0
84.99576568603516	180.0
85.06938171386719	160.0
85.13180541992188	152.0
85.14649963378906	156.0
85.20160675048828	184.0
85.21630096435547	172.0
85.31002807617188	176.0
85.60809326171875	172.0
85.66468048095703	160.0
85.7167739868164	176.0
85.77391052246094	172.0
85.80155944824219	188.0
85.81999969482422	156.0
86.03216552734375	160.0
86.09678649902344	212.0
86.2889633178711	204.0
86.31669616699219	228.0
86.36524963378906	172.0
86.89087677001953	152.0
86.96031951904297	160.0
87.0709228515625	164.0
87.14151000976562	152.0
87.19540405273438	156.0
87.23272705078125	144.0
87.42973327636719	144.0
87.5228042602539	168.0
87.65505981445312	164.0
88.0262680053711	144.0
88.09723663330078	180.0
88.18132019042969	140.0
88.22618103027344	200.0
88.40595245361328	156.0
88.53678894042969	168.0
88.59860229492188	196.0
88.61358642578125	176.0
88.63794708251953	148.0
88.696044921875	184.0
88.89672088623047	140.0
89.09574890136719	148.0
89.12580871582031	168.0
89.24421691894531	188.0
89.32132720947266	156.0
89.67153930664062	148.0
89.78654479980469	272.0
89.92049407958984	188.0
90.11310577392578	192.0
90.1981430053711	164.0
90.23217010498047	164.0
90.28511810302734	188.0
90.35888671875	204.0
90.396728515625	140.0
90.43457794189453	196.0
90.55196380615234	196.0
90.75093841552734	164.0
90.84197235107422	144.0
91.02606964111328	272.0
91.119140625	180.0
91.19134521484375	188.0
91.3016128540039	164.0
91.36161804199219	132.0
91.38150787353516	276.0
91.66712188720703	148.0
91.74335479736328	160.0
91.78148651123047	140.0
91.88912963867188	192.0
91.90982818603516	112.0
92.04364776611328	212.0
92.05817413330078	156.0
92.08906555175781	160.0
92.61920928955078	196.0
93.20367431640625	212.0
93.28439331054688	188.0
93.3209228515625	156.0
93.3363037109375	148.0
93.91018676757812	152.0
94.093505859375	152.0
94.1572265625	156.0
94.38138580322266	148.0
94.46454620361328	152.0
94.51097869873047	168.0
94.75493621826172	224.0
94.92162322998047	140.0
94.93907928466797	152.0
95.03412628173828	160.0
95.06517028808594	168.0
95.08726501464844	364.0
95.2865219116211	144.0
95.41674041748047	180.0
95.827392578125	144.0
95.95597076416016	136.0
96.34635162353516	140.0
96.7629165649414	184.0
96.94384002685547	120.0
97.21961975097656	160.0
97.3550796508789	140.0
97.3864974975586	172.0
97.428955078125	124.0
97.64593505859375	192.0
98.0046157836914	212.0
98.3207015991211	112.0
98.84339141845703	184.0
98.86911010742188	156.0
98.95423126220703	200.0
99.04389190673828	188.0
99.42996215820312	200.0
99.47610473632812	212.0
99.52458953857422	128.0
99.61064910888672	152.0
99.81336212158203	144.0
99.85095977783203	128.0
100.11185455322266	208.0
100.58037567138672	176.0
100.93399047851562	164.0
101.17407989501953	212.0
101.450439453125	160.0
101.540771484375	168.0
101.65821075439453	132.0
101.68722534179688	152.0
101.78760528564453	192.0
101.82161712646484	188.0
101.9503173828125	176.0
101.99269104003906	224.0
102.13433074951172	144.0
102.21173095703125	200.0
102.39290618896484	168.0
102.45333862304688	204.0
103.02021026611328	196.0
103.05399322509766	336.0
103.16368865966797	156.0
103.44486999511719	192.0
103.61982727050781	112.0
103.93938446044922	208.0
104.03680419921875	168.0
104.2582015991211	192.0
104.2825927734375	144.0
104.47576141357422	228.0
104.53070068359375	144.0
104.62845611572266	128.0
104.7037353515625	144.0
104.97069549560547	180.0
105.0709457397461	616.0
105.0951156616211	188.0
105.13818359375	116.0
105.227783203125	216.0
105.53630065917969	216.0
105.56938934326172	132.0
105.81752014160156	132.0
105.90670013427734	184.0
105.9599609375	156.0
106.07359313964844	116.0
106.43991088867188	164.0
106.52206420898438	180.0
106.64534759521484	140.0
106.68440246582031	164.0
106.78927612304688	188.0
106.89213562011719	164.0
107.00135040283203	132.0
107.04979705810547	3300.0
107.07740783691406	220.0
107.34325408935547	140.0
107.94622039794922	164.0
108.03015899658203	144.0
108.05049133300781	584.0
108.08895111083984	140.0
108.25662231445312	184.0
108.30243682861328	200.0
108.40162658691406	416.0
108.74523162841797	180.0
108.80816650390625	164.0
108.83743286132812	124.0
109.10005187988281	296.0
109.25082397460938	140.0
109.37151336669922	148.0
109.41314697265625	160.0
109.48185729980469	168.0
109.52767944335938	140.0
109.56309509277344	148.0
109.59434509277344	140.0
109.64019012451172	140.0
109.70896911621094	176.0
110.12421417236328	140.0
110.1513671875	256.0
110.19314575195312	168.0
110.24120330810547	152.0
110.26837158203125	180.0
110.31017303466797	192.0
110.49519348144531	204.0
110.55069732666016	168.0
110.60301971435547	192.0
110.67692565917969	292.0
110.71607971191406	140.0
110.8920669555664	180.0
111.07867431640625	224.0
111.2381591796875	140.0
111.26219940185547	124.0
111.404052734375	168.0
111.67520904541016	188.0
111.73831176757812	160.0
112.21429443359375	156.0
112.33660888671875	184.0
112.55821228027344	156.0
112.66170501708984	156.0
112.79061126708984	188.0
112.86315155029297	228.0
113.04016876220703	152.0
113.0942153930664	252.0
113.33872985839844	228.0
113.58396911621094	244.0
113.64830017089844	168.0
113.66527557373047	188.0
113.82704162597656	192.0
113.85208129882812	156.0
113.866943359375	208.0
113.90093231201172	172.0
113.97103881835938	168.0
114.01353454589844	152.0
114.21338653564453	148.0
114.50711059570312	144.0
114.53479766845703	152.0
114.61148834228516	140.0
114.853759765625	400.0
115.05374145507812	652.0
115.14693450927734	160.0
115.32212829589844	224.0
115.3819808959961	176.0
115.40763854980469	216.0
115.55521392822266	156.0
115.61084747314453	248.0
115.67291259765625	160.0
115.77354431152344	152.0
116.0594482421875	296.0
116.08235931396484	184.0
116.32671356201172	168.0
116.59734344482422	284.0
116.80701446533203	204.0
117.07167053222656	232.0
117.2882308959961	180.0
117.39387512207031	164.0
117.71324920654297	144.0
117.73052215576172	204.0
118.07630157470703	172.0
118.10196685791016	208.0
118.35545349121094	216.0
118.87568664550781	184.0
118.92802429199219	140.0
119.0487289428711	360.0
119.08781433105469	296.0
119.24270629882812	140.0
119.32096099853516	140.0
119.45361328125	152.0
119.47101593017578	216.0
119.51017761230469	168.0
119.74774169921875	152.0
119.99369049072266	240.0
120.01331329345703	144.0
120.20526123046875	152.0
120.26419067382812	144.0
120.62022399902344	188.0
120.73391723632812	140.0
120.75785827636719	152.0
120.92903137207031	132.0
121.00305938720703	160.0
121.06431579589844	1104.0
121.10379028320312	148.0
121.17424774169922	192.0
121.193603515625	148.0
121.35798645019531	172.0
121.49177551269531	156.0
121.60587310791016	176.0
121.79257202148438	132.0
121.81886291503906	156.0
121.93195343017578	136.0
122.04083251953125	168.0
122.06941986083984	184.0
122.0892105102539	144.0
122.15249633789062	196.0
122.19039154052734	184.0
122.41930389404297	220.0
122.45233917236328	160.0
122.530517578125	140.0
122.7300033569336	148.0
123.23102569580078	144.0
123.72864532470703	176.0
124.30269622802734	148.0
124.58467102050781	168.0
124.87264251708984	104.0
124.99376678466797	204.0
125.02491760253906	168.0
125.11172485351562	144.0
125.19187927246094	204.0
125.30548095703125	168.0
125.60643005371094	184.0
125.68192291259766	148.0
125.71498107910156	196.0
125.7581558227539	228.0
125.97429656982422	216.0
126.19657135009766	156.0
126.34584045410156	140.0
126.39282989501953	152.0
126.41744232177734	160.0
126.5338363647461	152.0
126.5718994140625	172.0
126.76677703857422	172.0
126.79815673828125	148.0
126.97077941894531	208.0
127.05441284179688	760.0
127.16148376464844	140.0
127.29618072509766	160.0
127.32312774658203	144.0
127.39017486572266	180.0
127.52532958984375	176.0
127.62000274658203	176.0
127.64447784423828	144.0
127.68270874023438	144.0
127.74720001220703	156.0
127.80193328857422	152.0
127.88744354248047	172.0
128.06112670898438	816.0
128.14219665527344	152.0
128.57484436035156	172.0
128.91058349609375	144.0
129.0700225830078	1556.0
129.14419555664062	140.0
129.5448455810547	184.0
129.57725524902344	248.0
129.70799255371094	192.0
129.9075469970703	152.0
129.93930053710938	156.0
130.07540893554688	152.0
130.20033264160156	164.0
130.3139190673828	160.0
130.38153076171875	148.0
130.95314025878906	156.0
131.04843139648438	1836.0
131.08370971679688	592.0
131.63438415527344	104.0
131.8573760986328	252.0
131.90460205078125	148.0
132.0279998779297	140.0
132.0487518310547	284.0
132.08982849121094	168.0
132.1447296142578	208.0
132.16075134277344	144.0
132.2525634765625	164.0
132.3575897216797	176.0
132.39918518066406	96.0
132.46981811523438	196.0
132.4893035888672	156.0
132.6110382080078	164.0
132.82281494140625	164.0
132.83888244628906	168.0
132.9620361328125	196.0
133.065185546875	38704.0
133.12515258789062	212.0
133.16799926757812	156.0
133.21771240234375	132.0
133.54949951171875	108.0
133.5797882080078	156.0
133.62608337402344	164.0
133.93763732910156	144.0
134.02978515625	160.0
134.06857299804688	2808.0
134.24185180664062	196.0
134.5187225341797	152.0
134.813720703125	160.0
135.03659057617188	156.0
135.07443237304688	356.0
135.30239868164062	164.0
135.32554626464844	144.0
135.65682983398438	208.0
135.75653076171875	144.0
135.8678741455078	172.0
136.1742706298828	240.0
136.3270263671875	196.0
136.62986755371094	240.0
136.8463134765625	140.0
137.18179321289062	148.0
137.40567016601562	208.0
137.66941833496094	180.0
137.8679962158203	204.0
138.4387969970703	180.0
138.4717254638672	128.0
138.53248596191406	204.0
138.59573364257812	140.0
139.03076171875	116.0
139.05459594726562	172.0
139.2455291748047	172.0
139.30459594726562	168.0
139.4005889892578	164.0
139.4546356201172	192.0
139.59805297851562	180.0
139.84742736816406	156.0
140.01222229003906	140.0
140.2431182861328	152.0
140.33505249023438	160.0
140.5733642578125	132.0
140.89439392089844	152.0
140.92984008789062	156.0
141.01254272460938	180.0
141.04563903808594	196.0
141.06903076171875	296.0
141.1071014404297	152.0
141.1717987060547	164.0
141.25845336914062	296.0
141.30577087402344	200.0
141.41224670410156	160.0
141.46730041503906	216.0
141.65963745117188	192.0
142.04725646972656	140.0
142.07481384277344	156.0
142.1490478515625	160.0
142.19436645507812	188.0
142.2647705078125	164.0
142.33204650878906	152.0
142.54379272460938	196.0
142.56246948242188	192.0
142.69558715820312	196.0
142.7193603515625	168.0
142.74551391601562	144.0
142.90011596679688	144.0
143.0584716796875	172.0
143.08389282226562	300.0
143.10955810546875	168.0
143.53369140625	144.0
143.63648986816406	144.0
143.71580505371094	216.0
143.94410705566406	192.0
144.05751037597656	772.0
144.16627502441406	164.0
144.18777465820312	184.0
144.25469970703125	160.0
144.515380859375	148.0
144.54039001464844	112.0
144.6302490234375	160.0
144.65896606445312	196.0
144.7672882080078	128.0
144.7954559326172	164.0
144.9912872314453	156.0
145.03842163085938	168.0
145.06520080566406	21352.0
145.1217041015625	144.0
145.17977905273438	196.0
145.22738647460938	164.0
145.33824157714844	200.0
145.4728546142578	192.0
145.59405517578125	176.0
145.66851806640625	268.0
145.8589630126953	156.0
146.06707763671875	2256.0
146.33226013183594	176.0
147.0814971923828	2952.0
147.1350860595703	196.0
147.16928100585938	124.0
147.25599670410156	120.0
147.3684539794922	148.0
147.79702758789062	164.0
147.8989715576172	180.0
148.067626953125	152.0
148.08670043945312	152.0
148.1944122314453	164.0
148.28892517089844	140.0
148.3543701171875	160.0
148.5265350341797	224.0
148.61143493652344	140.0
148.8930206298828	148.0
148.9164276123047	120.0
149.16514587402344	152.0
149.35137939453125	164.0
149.4594268798828	180.0
149.98788452148438	204.0
150.2317352294922	152.0
150.33421325683594	164.0
150.46202087402344	156.0
150.65406799316406	248.0
150.69070434570312	148.0
151.0650634765625	188.0
151.1332550048828	176.0
151.21890258789062	168.0
151.33151245117188	148.0
151.74636840820312	156.0
151.7921600341797	172.0
151.82882690429688	144.0
152.06475830078125	228.0
152.142822265625	152.0
152.22702026367188	168.0
152.3802032470703	172.0
152.7253875732422	144.0
153.07273864746094	292.0
153.12557983398438	208.0
153.36309814453125	160.0
153.43211364746094	152.0
153.96913146972656	120.0
154.067626953125	132.0
154.17013549804688	176.0
154.40499877929688	192.0
154.46188354492188	168.0
154.5608367919922	140.0
154.6573486328125	144.0
154.90744018554688	172.0
154.96644592285156	152.0
155.00357055664062	228.0
155.05979919433594	408.0
155.08135986328125	440.0
155.22715759277344	156.0
155.24948120117188	164.0
155.32388305664062	172.0
155.34620666503906	140.0
155.59161376953125	140.0
155.70953369140625	224.0
156.05422973632812	128.0
156.0962677001953	176.0
156.3218994140625	148.0
156.33624267578125	196.0
156.52674865722656	280.0
156.618896484375	160.0
156.65127563476562	152.0
156.6836700439453	176.0
156.74346923828125	148.0
156.81539916992188	120.0
156.88125610351562	180.0
156.91583251953125	156.0
156.9805450439453	204.0
157.0277557373047	200.0
157.06581115722656	67700.0
157.14427185058594	108.0
157.184814453125	172.0
157.29495239257812	232.0
157.32040405273438	160.0
157.3749542236328	140.0
157.40283203125	156.0
157.65708923339844	256.0
157.9113006591797	228.0
158.0685577392578	5900.0
158.10353088378906	160.0
158.20753479003906	168.0
158.2581024169922	184.0
158.32760620117188	172.0
158.6805419921875	176.0
158.76329040527344	152.0
158.9779510498047	176.0
158.9961700439453	184.0
159.08056640625	15660.0
159.12001037597656	152.0
159.16213989257812	144.0
159.46749877929688	128.0
159.65228271484375	144.0
159.66989135742188	148.0
159.75289916992188	168.0
159.77554321289062	176.0
159.85931396484375	180.0
160.08413696289062	2116.0
160.13966369628906	140.0
160.49917602539062	164.0
160.78521728515625	180.0
160.8263397216797	156.0
161.08750915527344	428.0
161.29737854003906	104.0
161.3517608642578	256.0
161.69830322265625	168.0
161.86538696289062	196.0
162.2920379638672	240.0
162.37220764160156	188.0
162.4637908935547	148.0
162.54978942871094	204.0
162.83157348632812	184.0
162.9407958984375	164.0
163.02464294433594	328.0
163.31956481933594	148.0
163.38670349121094	128.0
163.98399353027344	188.0
164.22886657714844	180.0
164.2991485595703	152.0
164.6538543701172	192.0
164.71127319335938	420.0
164.93194580078125	220.0
165.06996154785156	268.0
165.21742248535156	204.0
165.5013427734375	120.0
166.04733276367188	164.0
166.08197021484375	340.0
166.18328857421875	228.0
167.00790405273438	280.0
167.08470153808594	484.0
167.3218536376953	176.0
167.86822509765625	140.0
167.97640991210938	156.0
168.0946502685547	168.0
168.1389617919922	168.0
168.30674743652344	168.0
168.37646484375	152.0
168.42037963867188	160.0
168.61978149414062	164.0
168.97134399414062	148.0
169.06813049316406	192.0
169.10752868652344	144.0
169.2272186279297	216.0
169.3204345703125	220.0
169.78433227539062	156.0
170.07029724121094	172.0
170.1676788330078	136.0
170.29042053222656	164.0
170.33717346191406	220.0
170.7426300048828	144.0
171.07936096191406	1796.0
171.1167755126953	2772.0
171.16159057617188	144.0
171.24232482910156	156.0
171.5641326904297	128.0
171.70362854003906	140.0
171.77926635742188	204.0
171.8131866455078	148.0
171.98280334472656	152.0
172.08563232421875	492.0
172.118896484375	864.0
172.15771484375	208.0
172.35885620117188	160.0
172.38648986816406	184.0
172.4114990234375	164.0
172.62025451660156	156.0
173.0974884033203	696.0
173.282470703125	160.0
173.37417602539062	148.0
173.5314483642578	168.0
173.5758514404297	184.0
173.86720275878906	196.0
173.90394592285156	152.0
174.09898376464844	360.0
174.18226623535156	140.0
174.42665100097656	164.0
174.7238006591797	148.0
174.85536193847656	144.0
174.99020385742188	152.0
175.0607147216797	156.0
175.26353454589844	188.0
175.34449768066406	212.0
175.39266967773438	156.0
175.47439575195312	212.0
175.60220336914062	188.0
175.6378936767578	148.0
175.7760772705078	184.0
175.8481903076172	176.0
176.23187255859375	176.0
176.6204833984375	144.0
177.09690856933594	140.0
177.1896209716797	176.0
177.24526977539062	172.0
177.3400115966797	112.0
177.7570343017578	184.0
178.25360107421875	216.0
178.9792938232422	180.0
179.0804901123047	136.0
179.99734497070312	212.0
180.09007263183594	184.0
180.12010192871094	164.0
180.3242645263672	248.0
180.4285125732422	156.0
180.75421142578125	160.0
181.1022491455078	928.0
181.2754669189453	148.0
181.3654327392578	188.0
181.38687133789062	152.0
181.67648315429688	224.0
181.95021057128906	156.0
182.106201171875	152.0
182.19459533691406	160.0
182.68386840820312	152.0
182.90182495117188	192.0
183.0858154296875	144.0
183.1180419921875	132.0
183.15992736816406	136.0
183.3099365234375	156.0
183.40283203125	156.0
183.46212768554688	140.0
183.5618896484375	144.0
183.62391662597656	180.0
183.68055725097656	152.0
183.7695770263672	180.0
184.08384704589844	308.0
184.12049865722656	152.0
184.2582550048828	200.0
184.423095703125	152.0
184.58799743652344	140.0
184.6312713623047	160.0
184.82333374023438	172.0
185.09617614746094	7544.0
185.77821350097656	172.0
186.1017303466797	2000.0
186.1378936767578	148.0
186.2316131591797	272.0
186.35179138183594	144.0
186.4775390625	160.0
186.5889892578125	164.0
186.61074829101562	176.0
186.66513061523438	180.0
187.04693603515625	152.0
187.0997772216797	160.0
187.33192443847656	356.0
187.35372924804688	156.0
187.87986755371094	196.0
187.9083709716797	188.0
188.01356506347656	164.0
188.14459228515625	152.0
188.22650146484375	216.0
188.59530639648438	288.0
188.84957885742188	176.0
189.13414001464844	140.0
189.1697235107422	244.0
189.24363708496094	152.0
189.2628173828125	200.0
189.35865783691406	144.0
189.7176055908203	168.0
189.76695251464844	168.0
190.403564453125	152.0
190.43377685546875	140.0
190.47222900390625	152.0
190.65631103515625	232.0
190.83224487304688	180.0
190.8789825439453	172.0
190.9229736328125	140.0
190.9504852294922	224.0
191.05226135253906	152.0
191.0843505859375	144.0
192.0576934814453	212.0
192.15699768066406	168.0
192.2191619873047	136.0
192.2435302734375	216.0
192.54620361328125	156.0
192.6539306640625	140.0
192.93304443359375	196.0
193.0159912109375	188.0
193.0685272216797	152.0
193.27322387695312	196.0
193.3092041015625	152.0
193.42141723632812	204.0
193.55178833007812	132.0
193.7106475830078	196.0
194.28448486328125	152.0
194.43154907226562	172.0
194.66195678710938	144.0
194.68972778320312	160.0
194.85360717773438	148.0
195.08822631835938	188.0
195.2594451904297	164.0
195.2844696044922	184.0
195.32618713378906	156.0
195.38461303710938	140.0
195.47642517089844	224.0
195.52651977539062	236.0
195.5518341064453	204.0
195.5905303955078	200.0
196.25357055664062	216.0
196.38462829589844	160.0
196.54922485351562	192.0
196.71803283691406	312.0
196.892578125	168.0
196.9644317626953	200.0
197.0959014892578	556.0
197.6197509765625	144.0
197.6994171142578	164.0
197.7959442138672	120.0
197.83766174316406	172.0
197.91885375976562	148.0
198.01806640625	140.0
198.105712890625	404.0
198.17604064941406	112.0
198.3881378173828	196.0
198.41195678710938	148.0
198.47084045410156	152.0
198.50448608398438	392.0
198.6150665283203	168.0
198.67837524414062	164.0
198.75132751464844	156.0
198.85357666015625	192.0
198.88818359375	188.0
198.95565795898438	188.0
198.992431640625	340.0
199.0084686279297	172.0
199.11265563964844	112088.0
199.2054901123047	328.0
199.3583526611328	184.0
199.47650146484375	204.0
199.54336547851562	140.0
199.6251678466797	196.0
199.6736297607422	100.0
199.72897338867188	188.0
199.89260864257812	112.0
199.94708251953125	168.0
200.11573791503906	13972.0
200.36904907226562	148.0
200.45114135742188	156.0
200.60470581054688	272.0
200.6890869140625	124.0
200.7400360107422	172.0
200.793212890625	308.0
200.87823486328125	232.0
200.90798950195312	132.0
200.9318389892578	188.0
200.99560546875	192.0
201.0164794921875	164.0
201.06231689453125	132.0
201.12803649902344	61612.0
201.17849731445312	128.0
201.2998809814453	240.0
201.33682250976562	156.0
201.52191162109375	184.0
201.55821228027344	132.0
201.62646484375	144.0
201.67416381835938	100.0
201.7491455078125	196.0
201.84877014160156	160.0
201.89183044433594	156.0
201.94027709960938	144.0
202.0902099609375	172.0
202.13052368164062	6580.0
202.23736572265625	148.0
202.2967987060547	144.0
202.4336395263672	180.0
202.5200958251953	140.0
202.61680603027344	316.0
202.73773193359375	124.0
202.85202026367188	172.0
202.88258361816406	164.0
202.9365997314453	140.0
203.0419921875	140.0
203.13360595703125	656.0
203.18226623535156	132.0
203.2604217529297	172.0
203.3353271484375	212.0
203.53758239746094	112.0
203.6684112548828	124.0
203.78030395507812	200.0
203.83529663085938	96.0
204.22474670410156	392.0
204.27862548828125	124.0
204.4356231689453	204.0
204.5604248046875	216.0
204.99215698242188	172.0
205.757080078125	132.0
206.01071166992188	248.0
206.0992889404297	212.0
206.45945739746094	144.0
206.5595703125	152.0
206.96881103515625	124.0
207.1005401611328	216.0
207.1291961669922	228.0
207.1935577392578	204.0
207.2552490234375	220.0
207.39280700683594	144.0
208.02671813964844	144.0
208.52200317382812	160.0
208.6414794921875	140.0
209.10728454589844	528.0
209.24424743652344	132.0
209.3521728515625	196.0
209.6128692626953	112.0
209.85067749023438	176.0
209.99774169921875	212.0
210.11204528808594	160.0
210.2238311767578	152.0
210.38194274902344	132.0
210.46812438964844	256.0
210.678955078125	236.0
210.72740173339844	208.0
210.8308868408203	212.0
211.0257568359375	180.0
211.51466369628906	172.0
211.55519104003906	156.0
211.85011291503906	128.0
211.96066284179688	208.0
212.11715698242188	172.0
212.54058837890625	156.0
212.66371154785156	252.0
212.7089080810547	200.0
212.7403564453125	168.0
213.06900024414062	152.0
213.08934020996094	148.0
213.17007446289062	168.0
213.1968536376953	140.0
213.3218231201172	192.0
213.37074279785156	160.0
213.62918090820312	208.0
213.97427368164062	220.0
214.00927734375	120.0
214.1977081298828	152.0
214.72337341308594	136.0
214.8273468017578	232.0
214.93930053710938	140.0
215.0695343017578	152.0
215.1412811279297	524.0
215.58872985839844	156.0
216.11573791503906	152.0
216.5314178466797	160.0
216.64564514160156	164.0
216.70054626464844	168.0
217.10289001464844	196.0
217.30528259277344	152.0
217.69740295410156	184.0
217.76028442382812	208.0
217.91009521484375	180.0
218.0384979248047	112.0
218.30984497070312	144.0
218.7848358154297	140.0
218.99908447265625	188.0
219.31150817871094	176.0
219.3520965576172	252.0
219.63812255859375	164.0
219.7373504638672	132.0
219.79153442382812	172.0
220.19004821777344	144.0
220.38796997070312	216.0
220.4945526123047	168.0
220.52981567382812	188.0
221.0349884033203	156.0
221.1864471435547	168.0
221.31967163085938	180.0
221.40554809570312	208.0
221.5921630859375	200.0
222.11390686035156	184.0
222.3037872314453	184.0
222.9884796142578	224.0
223.40122985839844	140.0
223.6649627685547	164.0
223.85848999023438	156.0
224.20355224609375	144.0
224.2815399169922	152.0
225.07957458496094	152.0
225.1195831298828	156.0
225.4813690185547	172.0
226.0435791015625	140.0
226.77499389648438	136.0
226.91517639160156	164.0
227.1422119140625	4152.0
227.31109619140625	188.0
227.53921508789062	144.0
227.6052703857422	172.0
228.0492706298828	176.0
228.1486358642578	364.0
228.54005432128906	140.0
228.57615661621094	152.0
228.91029357910156	176.0
229.0548553466797	144.0
229.38751220703125	132.0
229.6456298828125	152.0
229.8079376220703	104.0
229.8598175048828	216.0
230.36846923828125	252.0
230.43954467773438	152.0
230.51657104492188	144.0
230.97158813476562	156.0
231.01304626464844	148.0
231.04116821289062	156.0
231.26206970214844	156.0
231.53756713867188	176.0
231.62742614746094	180.0
231.664794921875	184.0
231.83143615722656	200.0
232.14768981933594	184.0
232.2055206298828	128.0
232.47735595703125	212.0
232.50466918945312	232.0
232.67919921875	120.0
232.7552032470703	192.0
232.7778778076172	148.0
232.82421875	184.0
233.09075927734375	192.0
233.16159057617188	156.0
233.39471435546875	172.0
233.47682189941406	144.0
234.18289184570312	176.0
234.39895629882812	100.0
234.9632568359375	168.0
235.265380859375	140.0
235.30506896972656	164.0
235.5738067626953	168.0
235.62269592285156	144.0
236.2249298095703	164.0
236.36260986328125	220.0
236.99948120117188	352.0
237.07302856445312	320.0
237.25079345703125	200.0
237.4872283935547	116.0
237.5390625	224.0
238.04881286621094	172.0
238.08682250976562	180.0
238.27581787109375	200.0
238.564697265625	152.0
238.92758178710938	140.0
238.976806640625	204.0
239.109130859375	168.0
239.24148559570312	164.0
239.38177490234375	156.0
240.036376953125	152.0
240.14431762695312	156.0
240.55429077148438	152.0
240.81097412109375	172.0
240.9376220703125	144.0
241.45269775390625	160.0
241.74462890625	148.0
242.08824157714844	180.0
242.4290008544922	184.0
243.17271423339844	168.0
243.49929809570312	152.0
243.68716430664062	192.0
243.79733276367188	180.0
244.705810546875	144.0
244.83348083496094	144.0
244.870849609375	164.0
245.29147338867188	160.0
245.40325927734375	164.0
245.6563262939453	216.0
245.73118591308594	204.0
245.95724487304688	160.0
246.90689086914062	188.0
247.87298583984375	156.0
248.20030212402344	160.0
248.788818359375	264.0
249.01268005371094	164.0
249.1801300048828	100.0
249.33702087402344	180.0
249.6119842529297	184.0
249.9296875	216.0
249.9768829345703	160.0
250.25387573242188	144.0
250.7655487060547	152.0
251.0100860595703	220.0
252.102294921875	144.0
252.32672119140625	144.0
252.73155212402344	168.0
252.88027954101562	164.0
252.98056030273438	112.0
253.04412841796875	132.0
253.1588897705078	184.0
253.4027862548828	140.0
253.4818878173828	140.0
253.7274169921875	120.0
253.9323272705078	224.0
254.1443634033203	116.0
254.46629333496094	124.0
254.5478057861328	156.0
254.65057373046875	112.0
255.21685791015625	136.0
255.45361328125	204.0
255.59893798828125	128.0
255.86412048339844	220.0
255.88832092285156	260.0
255.94053649902344	144.0
255.96282958984375	140.0
256.01611328125	164.0
256.0799865722656	192.0
256.1675720214844	380.0
256.22662353515625	116.0
256.43017578125	128.0
256.4590759277344	160.0
256.5456848144531	116.0
256.7102966308594	244.0
256.7478332519531	164.0
256.8083190917969	224.0
256.8367004394531	112.0
256.8603820800781	160.0
256.9317321777344	144.0
256.9801330566406	264.0
257.00592041015625	192.0
257.03912353515625	164.0
257.0665283203125	100.0
257.0811767578125	124.0
257.0935363769531	220.0
257.13006591796875	244.0
257.1632385253906	344.0
257.19183349609375	316.0
257.2308044433594	152.0
257.2708435058594	104.0
257.30712890625	96.0
257.3475341796875	160.0
257.37432861328125	540.0
257.41412353515625	124.0
257.4774475097656	112.0
257.5579528808594	288.0
257.58251953125	296.0
257.6296691894531	304.0
257.6592712402344	228.0
257.7120666503906	340.0
257.7528991699219	348.0
257.8055725097656	284.0
257.8465881347656	316.0
257.8885498046875	120.0
257.9220886230469	308.0
257.9557800292969	132.0
257.98028564453125	216.0
258.0066833496094	340.0
258.0317687988281	464.0
258.0628662109375	316.0
258.0937194824219	472.0
258.1356506347656	596.0
258.187744140625	304324.0
258.3039855957031	200.0
258.35211181640625	164.0
258.40545654296875	316.0
258.4860534667969	2244.0
258.5301208496094	460.0
258.5841979980469	1064.0
258.6766357421875	2980.0
258.7176513671875	11644.0
258.7565002441406	588.0
258.829833984375	180.0
258.8612365722656	124.0
258.9022216796875	192.0
258.9602966308594	260.0
258.99554443359375	216.0
259.02880859375	300.0
259.068115234375	216.0
259.1033935546875	220.0
259.1902770996094	135828.0
259.25518798828125	272.0
259.31341552734375	340.0
259.37518310546875	176.0
259.42254638671875	220.0
259.4869079589844	252.0
259.543701171875	136.0
259.5994567871094	116.0
259.67364501953125	164.0
259.7192077636719	396.0
259.757080078125	188.0
259.78985595703125	272.0
259.82501220703125	288.0
259.96429443359375	192.0
260.0195617675781	228.0
260.11090087890625	248.0
260.1918029785156	12292.0
260.29388427734375	300.0
260.3470153808594	100.0
260.4556884765625	116.0
260.4981384277344	128.0
260.5224304199219	376.0
260.5491943359375	156.0
260.5868835449219	244.0
260.63714599609375	292.0
260.681396484375	160.0
260.7433166503906	348.0
260.7869567871094	288.0
260.83038330078125	264.0
260.8666076660156	196.0
260.9273681640625	288.0
260.96075439453125	200.0
260.9787902832031	288.0
260.98870849609375	324.0
260.9993896484375	440.0
261.03961181640625	624.0
261.07891845703125	504.0
261.1069030761719	556.0
261.19256591796875	680.0
261.3011474609375	144.0
261.3380432128906	288.0
261.49658203125	152.0
261.5419921875	128.0
261.6160888671875	244.0
261.8100891113281	204.0
261.898193359375	100.0
261.9658203125	100.0
262.0674133300781	152.0
262.2112731933594	100.0
262.2702331542969	160.0
262.3363037109375	116.0
262.4122009277344	228.0
262.5107116699219	100.0
262.54937744140625	124.0
265.41326904296875	280.0
267.7003479003906	96.0
268.33038330078125	100.0
269.0296325683594	104.0
270.2090148925781	116.0
270.4001770019531	96.0
271.329345703125	136.0
271.39654541015625	140.0
271.4879150390625	116.0
272.2745666503906	148.0
272.50762939453125	116.0
272.781982421875	232.0
273.57373046875	152.0
279.39593505859375	180.0
296.4864501953125	140.0
307.9383850097656	168.0
340.2875671386719	152.0
371.33294677734375	100.0
381.3080139160156	180.0
381.43023681640625	108.0
466.5365295410156	132.0
471.64306640625	120.0
668.3425903320312	148.0
829.9863891601562	168.0
1047.7459716796875	160.0
1051.079345703125	160.0
1078.537841796875	180.0
1116.276123046875	228.0
1164.361572265625	156.0
1174.9051513671875	164.0
1203.318359375	188.0
1209.5885009765625	148.0
1210.4815673828125	144.0
1217.0618896484375	204.0
1228.2803955078125	196.0
1240.9661865234375	196.0
1254.118896484375	152.0
1268.694580078125	276.0
1276.881591796875	208.0
1285.0948486328125	168.0
1302.8572998046875	176.0
1307.1640625	224.0
1317.7705078125	156.0
1318.55810546875	144.0
1355.47607421875	152.0
1365.4378662109375	192.0
1369.4931640625	280.0
1382.1021728515625	140.0
1387.2568359375	140.0
1418.5211181640625	164.0
1431.88037109375	180.0
1436.2593994140625	176.0
1448.92138671875	140.0
1457.753173828125	200.0
1461.836669921875	180.0
1468.5179443359375	156.0
1469.9969482421875	144.0
1486.918212890625	212.0
1488.322998046875	140.0
1492.341552734375	144.0
1504.6455078125	140.0
1509.5750732421875	188.0
1517.51171875	152.0
1520.00927734375	168.0
1536.5587158203125	252.0
1542.30615234375	200.0
1554.5706787109375	180.0
1557.01220703125	180.0
1558.323974609375	212.0
1560.8470458984375	208.0
1561.90869140625	180.0
1562.9708251953125	180.0
1571.724853515625	240.0
1578.9371337890625	180.0
1579.854736328125	200.0
1581.7696533203125	216.0
1590.66357421875	160.0
1603.3974609375	160.0
1623.76025390625	148.0
1629.6683349609375	216.0
1630.02197265625	160.0
1630.1424560546875	152.0
1633.8973388671875	172.0
1635.353759765625	144.0
1649.7279052734375	164.0
1661.267578125	200.0
1676.40673828125	180.0
1683.8958740234375	140.0
1684.1654052734375	140.0
1694.5299072265625	144.0
1702.157958984375	232.0
1711.564697265625	140.0
1723.20263671875	164.0
1723.5909423828125	140.0
1726.1534423828125	184.0
1726.360107421875	160.0
1731.2840576171875	144.0
1733.8687744140625	152.0
1734.216796875	152.0
1735.170166015625	164.0
1740.2310791015625	144.0
1752.4991455078125	152.0
1759.84716796875	144.0
1768.1646728515625	168.0
1770.6678466796875	168.0
1773.8936767578125	180.0
1786.086181640625	208.0
1786.313232421875	148.0
1786.531982421875	168.0
1787.2723388671875	188.0
1788.07177734375	168.0
1791.4228515625	212.0
1794.5916748046875	164.0
1795.2662353515625	160.0
1800.853271484375	184.0
1802.01904296875	164.0
1805.400146484375	164.0
1806.80419921875	164.0
1810.2066650390625	184.0
1810.3760986328125	152.0
1817.0128173828125	176.0
1819.3466796875	180.0
1819.7796630859375	140.0
1823.2283935546875	148.0
1825.829833984375	144.0
1828.262939453125	152.0
1829.0203857421875	168.0
1839.9659423828125	212.0
1842.09228515625	208.0
1848.1024169921875	200.0
1853.625244140625	152.0
1854.8250732421875	160.0
1861.482666015625	200.0
1864.033935546875	160.0
1865.7958984375	140.0
1869.44091796875	144.0
1869.71826171875	164.0
1870.82861328125	140.0
1873.8599853515625	228.0
1877.8253173828125	156.0
1879.38671875	168.0
1886.788330078125	152.0
1891.139404296875	140.0
1898.416748046875	144.0
1900.6981201171875	156.0
1906.1339111328125	152.0
1909.6895751953125	176.0
1914.5806884765625	280.0
1916.802001953125	196.0
1920.5682373046875	148.0
1921.52783203125	164.0
1922.086181640625	164.0
1926.9407958984375	180.0
1930.008544921875	140.0
1930.498291015625	172.0
1931.1978759765625	200.0
1933.516357421875	144.0
1933.647705078125	168.0
1933.9627685546875	160.0
1937.9822998046875	152.0
1943.9273681640625	148.0
1944.8927001953125	224.0
1946.6134033203125	180.0
1951.235107421875	148.0
1951.4022216796875	144.0
1951.96484375	184.0
1955.1134033203125	224.0
1960.40673828125	160.0
1963.18359375	256.0
1963.748046875	224.0
1965.4771728515625	180.0
1969.4144287109375	244.0
1969.979736328125	176.0
1971.4730224609375	152.0
1974.567138671875	176.0
1984.1214599609375	144.0
1985.008056640625	152.0
1988.2548828125	152.0
1990.8304443359375	168.0
1991.246826171875	184.0
1992.6680908203125	172.0
2000.867919921875	208.0
2002.1947021484375	284.0
2002.9072265625	208.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079180
PEPMASS=358.088318
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_C2_D11_BE1_01_15735.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Indomethacin [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)O)c2c1
INCHI=InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
INCHIAUX=CGIGDMFJXJATDK-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079180
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079180
SCANS=1915
45.34718322753906	168.0
46.713687896728516	176.0
46.99433517456055	192.0
51.15532684326172	180.0
51.61615753173828	160.0
53.05598449707031	200.0
53.352142333984375	188.0
53.68849182128906	160.0
53.873863220214844	160.0
56.07402038574219	176.0
56.856204986572266	220.0
57.80409240722656	160.0
57.87069320678711	172.0
59.20922088623047	140.0
61.50063705444336	200.0
64.14244079589844	132.0
65.1895523071289	212.0
73.21459197998047	204.0
74.082275390625	168.0
74.87065887451172	160.0
78.795654296875	168.0
81.45903778076172	168.0
81.9177474975586	180.0
82.86051940917969	144.0
84.5945053100586	180.0
86.69793701171875	172.0
87.00212860107422	260.0
89.76193237304688	164.0
89.82417297363281	148.0
91.17414093017578	148.0
91.76422882080078	160.0
93.5285873413086	220.0
94.04900360107422	192.0
94.91570281982422	164.0
95.70653533935547	192.0
98.13418579101562	188.0
103.88652801513672	140.0
104.3129653930664	204.0
107.66712951660156	188.0
109.18622589111328	148.0
110.7138671875	152.0
111.00081634521484	440.0
111.07675170898438	232.0
114.18136596679688	144.0
114.99568939208984	164.0
117.37218475341797	164.0
118.85820007324219	160.0
127.79054260253906	228.0
128.44610595703125	160.0
128.83889770507812	152.0
129.01150512695312	148.0
129.092041015625	172.0
130.74354553222656	184.0
131.07669067382812	304.0
131.4636688232422	156.0
136.7158203125	224.0
137.384521484375	176.0
138.368408203125	204.0
138.6307373046875	152.0
138.65194702148438	156.0
138.75027465820312	144.0
138.9522247314453	144.0
138.9951934814453	36996.0
139.8143310546875	140.0
139.96969604492188	176.0
139.99830627441406	2176.0
140.0439453125	120.0
140.54393005371094	148.0
140.62033081054688	140.0
140.9923553466797	9356.0
141.06439208984375	152.0
141.99610900878906	628.0
147.260498046875	176.0
159.06597900390625	320.0
173.08584594726562	220.0
174.0904998779297	3652.0
175.09515380859375	740.0
202.084716796875	504.0
202.10980224609375	176.0
204.0952911376953	180.0
220.0956573486328	172.0
226.0882110595703	176.0
245.98683166503906	140.0
246.97109985351562	160.0
276.0204162597656	112.0
288.92694091796875	144.0
292.02734375	144.0
292.91571044921875	140.0
293.02813720703125	152.0
293.9521484375	188.0
294.01898193359375	124.0
296.0236511230469	160.0
298.0474548339844	192.0
312.07733154296875	152.0
313.0825500488281	136.0
316.0445861816406	156.0
319.0343933105469	176.0
333.0519714355469	200.0
357.0730895996094	296.0
358.0027160644531	140.0
358.0840148925781	6920.0
358.223388671875	176.0
358.818115234375	140.0
359.087890625	1196.0
359.20880126953125	140.0
360.08258056640625	2192.0
360.28521728515625	132.0
361.0836181640625	272.0
361.22705078125	136.0
481.0019226074219	140.0
1330.711669921875	144.0
1380.8504638671875	236.0
1529.6602783203125	144.0
1549.5037841796875	140.0
1564.535400390625	148.0
1603.395751953125	192.0
1660.114013671875	172.0
1677.6112060546875	192.0
1721.3341064453125	164.0
1810.628173828125	216.0
1824.025390625	228.0
1844.440185546875	168.0
1847.1080322265625	184.0
1856.3062744140625	152.0
1869.9571533203125	160.0
1870.96435546875	140.0
1890.540283203125	164.0
1896.0220947265625	160.0
1932.621826171875	160.0
1941.705810546875	240.0
1966.92236328125	200.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079181
PEPMASS=256.101349
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Ketorolac aka "5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OC(=O)C1CCn2c(ccc12)C(=O)c3ccccc3
INCHI=InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
INCHIAUX=OZWKMVRBQXNZKK-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079181
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079181
SCANS=1244
45.51491165161133	204.0
45.62239456176758	152.0
45.7717399597168	188.0
45.86199951171875	192.0
46.16847610473633	140.0
46.754547119140625	140.0
46.9793701171875	236.0
47.248497009277344	160.0
48.56683349609375	184.0
48.69174575805664	180.0
49.10231018066406	192.0
49.45719909667969	176.0
50.27235412597656	184.0
51.75270462036133	164.0
51.83234786987305	140.0
52.29518508911133	196.0
52.607566833496094	164.0
52.692771911621094	216.0
52.84892272949219	160.0
53.0110969543457	212.0
53.047332763671875	208.0
53.11762619018555	124.0
53.430721282958984	156.0
53.6754150390625	172.0
53.83447265625	164.0
54.279327392578125	172.0
55.07404327392578	156.0
55.087337493896484	160.0
55.133140563964844	196.0
55.26474380493164	192.0
55.77341079711914	144.0
56.01148986816406	196.0
56.20231628417969	188.0
56.59242630004883	264.0
56.95083999633789	152.0
57.04649353027344	140.0
57.15558624267578	164.0
57.443050384521484	152.0
58.918643951416016	184.0
58.96295928955078	168.0
59.12813186645508	168.0
59.80805969238281	156.0
59.878883361816406	156.0
60.30007553100586	148.0
61.3026237487793	192.0
61.34938049316406	152.0
61.410194396972656	148.0
61.424232482910156	208.0
61.48976516723633	196.0
61.525665283203125	180.0
61.7882194519043	172.0
62.10935592651367	152.0
62.136024475097656	152.0
62.32914733886719	144.0
62.568214416503906	204.0
62.984527587890625	140.0
63.269168853759766	160.0
63.29450225830078	172.0
63.336181640625	172.0
63.44264221191406	220.0
63.832427978515625	152.0
64.3199462890625	220.0
64.3965835571289	220.0
64.84456634521484	144.0
65.24907684326172	196.0
65.87035369873047	152.0
65.90182495117188	144.0
65.96646881103516	184.0
66.16383361816406	144.0
67.56998443603516	168.0
67.98945617675781	152.0
68.30162811279297	208.0
68.65738677978516	152.0
69.34514617919922	168.0
69.43301391601562	152.0
69.60892486572266	224.0
69.73185729980469	140.0
70.91687774658203	140.0
71.00741577148438	140.0
71.79280090332031	176.0
73.16016387939453	156.0
73.7879867553711	164.0
74.16801452636719	156.0
74.39616394042969	176.0
74.83800506591797	232.0
75.06717681884766	208.0
75.1655044555664	168.0
75.26216125488281	164.0
76.8451156616211	228.0
77.55335235595703	152.0
77.71292877197266	200.0
78.11524200439453	156.0
78.56974029541016	196.0
78.99018096923828	140.0
79.30181884765625	140.0
79.32308197021484	140.0
79.57144927978516	168.0
80.24931335449219	196.0
80.42591857910156	168.0
80.98915100097656	232.0
81.03214263916016	140.0
81.08052062988281	156.0
81.12892150878906	160.0
81.14147186279297	148.0
81.23831176757812	220.0
81.79537200927734	144.0
81.88179779052734	140.0
83.30579376220703	164.0
83.91861724853516	160.0
84.26356506347656	164.0
84.34762573242188	140.0
84.48843383789062	140.0
84.76307678222656	228.0
84.82538604736328	156.0
84.96109008789062	156.0
85.38172149658203	156.0
85.73334503173828	176.0
85.8292007446289	200.0
88.13832092285156	180.0
88.2878646850586	180.0
88.33088684082031	144.0
88.47685241699219	148.0
89.02998352050781	140.0
89.40032958984375	148.0
89.88838958740234	184.0
90.52922058105469	220.0
90.8998031616211	164.0
91.31681060791016	260.0
91.43476867675781	192.0
91.9703369140625	176.0
92.90825653076172	140.0
93.48824310302734	140.0
93.51326751708984	176.0
93.75592803955078	152.0
93.9815444946289	144.0
95.15187072753906	136.0
95.3545150756836	148.0
95.56647491455078	176.0
96.65524291992188	156.0
96.75897979736328	156.0
97.0116958618164	192.0
97.55875396728516	188.0
97.58299255371094	168.0
98.39075469970703	196.0
99.32875061035156	172.0
101.011962890625	152.0
101.05797576904297	148.0
101.23011779785156	188.0
101.3282699584961	172.0
101.94225311279297	188.0
102.24793243408203	140.0
102.70932006835938	172.0
102.79405975341797	168.0
102.97574615478516	192.0
103.60515594482422	224.0
103.7203369140625	160.0
103.73775482177734	168.0
103.75667572021484	168.0
104.04695892333984	312.0
104.52864074707031	200.0
104.58969116210938	144.0
104.66297912597656	140.0
104.90814208984375	132.0
104.95203399658203	144.0
104.97882843017578	172.0
105.00403594970703	176.0
105.03456115722656	69448.0
105.09169006347656	148.0
105.12800598144531	120.0
105.15766143798828	236.0
105.20930480957031	300.0
105.26655578613281	160.0
105.28289031982422	144.0
105.29997253417969	112.0
105.32635498046875	100.0
105.34852600097656	104.0
105.36946105957031	720.0
105.47494506835938	180.0
105.64102172851562	128.0
105.85343170166016	164.0
106.0367660522461	3912.0
106.0652847290039	7140.0
106.30030059814453	176.0
106.872314453125	148.0
107.03900909423828	240.0
107.06649017333984	188.0
107.21129608154297	144.0
107.97805786132812	148.0
108.04754638671875	148.0
108.14073944091797	108.0
108.63174438476562	172.0
109.15512084960938	188.0
109.73604583740234	188.0
111.34941101074219	200.0
112.73774719238281	156.0
112.8042221069336	176.0
112.87091827392578	172.0
113.90303039550781	192.0
116.05120849609375	152.0
117.36150360107422	144.0
120.04463195800781	100.0
120.2074203491211	144.0
121.57511901855469	144.0
121.94408416748047	156.0
122.05126190185547	136.0
122.08038330078125	164.0
123.07638549804688	152.0
126.05962371826172	200.0
130.44342041015625	140.0
131.4615020751953	168.0
132.04441833496094	776.0
132.12411499023438	204.0
133.02012634277344	144.0
133.0515594482422	404.0
133.1969451904297	208.0
134.0251007080078	204.0
134.0585174560547	600.0
135.0362548828125	164.0
135.6313018798828	156.0
136.68568420410156	188.0
138.6238250732422	204.0
140.63697814941406	152.0
141.2749786376953	148.0
142.6789093017578	184.0
143.74118041992188	228.0
144.64134216308594	240.0
144.91519165039062	156.0
145.74777221679688	188.0
147.03851318359375	168.0
147.16162109375	164.0
148.400390625	148.0
149.0071563720703	180.0
149.55429077148438	156.0
150.0585479736328	172.0
153.4665985107422	256.0
154.3184051513672	168.0
156.0465087890625	168.0
157.5143280029297	144.0
159.25013732910156	148.0
159.74783325195312	152.0
160.0375518798828	276.0
161.49838256835938	148.0
161.98690795898438	188.0
164.16761779785156	140.0
164.4686737060547	152.0
164.60397338867188	140.0
165.3094940185547	204.0
165.5040283203125	176.0
165.88063049316406	140.0
167.08871459960938	140.0
167.40420532226562	240.0
171.28135681152344	156.0
171.73489379882812	152.0
174.2768096923828	148.0
175.216064453125	140.0
178.05032348632812	9004.0
178.8625946044922	156.0
178.88388061523438	192.0
179.05364990234375	1024.0
180.0572509765625	172.0
180.16925048828125	140.0
180.4591522216797	112.0
182.71072387695312	232.0
183.10012817382812	132.0
183.21954345703125	188.0
185.50306701660156	196.0
186.4285888671875	180.0
187.98623657226562	156.0
188.30564880371094	160.0
190.0960693359375	148.0
190.76345825195312	144.0
192.0962677001953	140.0
192.85284423828125	212.0
194.0930633544922	164.0
194.778564453125	168.0
195.91908264160156	208.0
196.130859375	176.0
196.51849365234375	228.0
197.93280029296875	160.0
198.5044403076172	156.0
199.01792907714844	164.0
202.61392211914062	140.0
202.7301025390625	156.0
205.75364685058594	176.0
206.75979614257812	164.0
208.73057556152344	160.0
209.14772033691406	132.0
210.09190368652344	5228.0
210.5258331298828	180.0
210.676025390625	228.0
211.0956573486328	1132.0
211.4162139892578	224.0
212.09747314453125	168.0
213.10671997070312	172.0
213.7931671142578	216.0
213.92393493652344	160.0
215.18333435058594	200.0
215.84658813476562	156.0
218.82766723632812	140.0
220.58001708984375	160.0
223.65003967285156	184.0
224.32321166992188	196.0
224.8362274169922	160.0
225.0989227294922	176.0
225.24227905273438	148.0
225.53810119628906	148.0
225.62777709960938	236.0
225.69056701660156	160.0
226.3218994140625	176.0
226.3428497314453	220.0
231.75563049316406	168.0
231.9556427001953	156.0
232.71102905273438	172.0
233.95751953125	152.0
234.31687927246094	140.0
236.9429168701172	116.0
237.02700805664062	148.0
237.5906219482422	160.0
240.99317932128906	144.0
244.12803649902344	108.0
245.6219482421875	200.0
245.9370880126953	216.0
246.42112731933594	200.0
246.90249633789062	140.0
247.67242431640625	184.0
248.55023193359375	168.0
249.41212463378906	108.0
250.7010955810547	216.0
251.0951690673828	152.0
251.8937225341797	200.0
252.7346649169922	216.0
253.17465209960938	160.0
253.77671813964844	220.0
253.9987030029297	164.0
254.18270874023438	176.0
254.45249938964844	140.0
254.74148559570312	144.0
254.87594604492188	136.0
255.01417541503906	220.0
255.06973266601562	160.0
255.1154022216797	1172.0
255.1606903076172	220.0
255.2305908203125	168.0
255.28179931640625	224.0
255.3255157470703	188.0
255.40908813476562	192.0
255.5657196044922	232.0
255.67127990722656	120.0
255.76220703125	152.0
255.8710479736328	304.0
255.92276000976562	316.0
255.9593048095703	388.0
256.0172119140625	332.0
256.09857177734375	136812.0
256.193115234375	204.0
256.2982177734375	316.0
256.3654479980469	260.0
256.4248962402344	116.0
256.5154113769531	312.0
256.5789489746094	152.0
256.623046875	2776.0
256.6776428222656	308.0
256.7218933105469	176.0
256.8958435058594	140.0
256.9400329589844	104.0
257.0091247558594	120.0
257.10150146484375	28020.0
257.2080078125	116.0
257.2382507324219	100.0
257.3323669433594	100.0
257.3838806152344	100.0
257.4290466308594	156.0
257.6764221191406	104.0
257.7084655761719	168.0
257.92181396484375	136.0
257.9531555175781	120.0
258.0577392578125	164.0
258.1023254394531	2456.0
258.2503662109375	140.0
258.3576965332031	140.0
258.42413330078125	96.0
258.4839782714844	128.0
258.50836181640625	112.0
258.5596923828125	120.0
258.6120300292969	136.0
258.6700134277344	124.0
258.8092041015625	200.0
258.8417663574219	184.0
258.9197692871094	116.0
258.95733642578125	264.0
258.9951477050781	320.0
259.0413818359375	160.0
259.1092529296875	172.0
259.14678955078125	220.0
259.2965393066406	160.0
259.3640441894531	112.0
259.4820861816406	112.0
259.7299499511719	100.0
260.21038818359375	128.0
267.1459045410156	104.0
270.8197326660156	140.0
1250.02685546875	152.0
1284.90185546875	200.0
1295.596923828125	160.0
1339.8037109375	168.0
1346.507080078125	144.0
1359.1494140625	220.0
1378.9146728515625	160.0
1388.272216796875	180.0
1393.82470703125	200.0
1398.792724609375	192.0
1408.8897705078125	148.0
1409.711669921875	180.0
1413.4879150390625	180.0
1415.044677734375	188.0
1434.78857421875	144.0
1441.060302734375	196.0
1452.150146484375	156.0
1453.690185546875	168.0
1457.882080078125	160.0
1465.9027099609375	200.0
1467.953369140625	284.0
1478.2506103515625	172.0
1478.8857421875	248.0
1482.0484619140625	248.0
1488.1461181640625	156.0
1489.3748779296875	140.0
1508.693359375	140.0
1510.959228515625	256.0
1514.58203125	176.0
1523.05224609375	200.0
1525.1656494140625	196.0
1542.3526611328125	140.0
1542.555908203125	152.0
1574.9139404296875	148.0
1578.3990478515625	140.0
1587.791015625	208.0
1588.005126953125	184.0
1592.4893798828125	216.0
1595.5645751953125	148.0
1595.795166015625	172.0
1600.9593505859375	176.0
1613.0068359375	196.0
1613.92626953125	148.0
1615.1578369140625	160.0
1616.1097412109375	148.0
1629.571533203125	204.0
1632.15966796875	196.0
1633.6072998046875	188.0
1644.396484375	160.0
1646.73779296875	228.0
1650.576416015625	156.0
1656.37109375	160.0
1660.889892578125	140.0
1661.153564453125	176.0
1670.3082275390625	224.0
1680.4669189453125	144.0
1683.50341796875	156.0
1685.357666015625	208.0
1689.56005859375	144.0
1694.2838134765625	152.0
1698.9483642578125	220.0
1699.9248046875	188.0
1701.3939208984375	176.0
1702.658447265625	196.0
1706.2574462890625	140.0
1706.7755126953125	204.0
1709.1114501953125	140.0
1712.371337890625	152.0
1721.4263916015625	200.0
1726.401123046875	152.0
1729.9754638671875	188.0
1731.565185546875	160.0
1732.3935546875	148.0
1739.4337158203125	168.0
1741.1773681640625	164.0
1758.2691650390625	184.0
1765.4202880859375	168.0
1766.1060791015625	260.0
1766.2900390625	176.0
1769.8216552734375	140.0
1770.005859375	176.0
1771.0946044921875	228.0
1774.5555419921875	168.0
1777.080078125	244.0
1779.2286376953125	160.0
1779.43017578125	176.0
1780.647705078125	168.0
1786.489501953125	176.0
1788.28173828125	144.0
1803.3875732421875	164.0
1804.45263671875	216.0
1804.709228515625	140.0
1808.225341796875	180.0
1808.5130615234375	172.0
1811.7562255859375	140.0
1813.4678955078125	192.0
1821.91943359375	156.0
1822.3612060546875	160.0
1827.581787109375	148.0
1831.4381103515625	148.0
1840.546142578125	152.0
1846.1859130859375	148.0
1847.6998291015625	172.0
1849.6510009765625	156.0
1854.9447021484375	180.0
1855.939208984375	148.0
1865.331298828125	184.0
1870.656005859375	188.0
1871.4307861328125	180.0
1879.161865234375	144.0
1880.136962890625	204.0
1882.9600830078125	188.0
1885.024658203125	156.0
1888.8720703125	160.0
1893.5025634765625	176.0
1895.59033203125	196.0
1910.150146484375	172.0
1911.22021484375	144.0
1913.126220703125	172.0
1914.0054931640625	156.0
1916.418212890625	140.0
1917.786376953125	172.0
1919.216064453125	156.0
1920.7073974609375	256.0
1924.52978515625	176.0
1925.9095458984375	156.0
1929.4923095703125	172.0
1933.3409423828125	172.0
1936.20361328125	156.0
1942.4178466796875	252.0
1951.62158203125	156.0
1953.582763671875	192.0
1955.2017822265625	196.0
1956.2579345703125	188.0
1957.4112548828125	140.0
1969.9881591796875	168.0
1972.7894287109375	144.0
1985.114013671875	180.0
1987.7752685546875	152.0
1988.973388671875	172.0
1990.970947265625	184.0
1991.7880859375	176.0
1993.20068359375	160.0
1998.3221435546875	264.0
1999.0250244140625	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079182
PEPMASS=188.146713
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@H](Cc1ccccc1)N(C)CC#C
INCHI=InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
INCHIAUX=MEZLKOACVSPNER-GFCCVEGCSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079182
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079182
SCANS=1025
45.02488708496094	172.0
45.17458724975586	152.0
45.35670471191406	144.0
45.516353607177734	184.0
46.08341979980469	144.0
46.35810852050781	220.0
46.71791458129883	160.0
47.00812530517578	160.0
47.176124572753906	180.0
47.449928283691406	188.0
47.687408447265625	240.0
47.86349868774414	144.0
47.87726974487305	196.0
47.907569885253906	164.0
47.93512725830078	152.0
48.068885803222656	148.0
48.38263702392578	180.0
48.494842529296875	220.0
48.98255157470703	164.0
49.15403747558594	196.0
49.614200592041016	160.0
49.80644989013672	160.0
49.8218994140625	172.0
49.996253967285156	144.0
50.16104507446289	176.0
50.42216491699219	224.0
50.51972961425781	236.0
50.63013458251953	236.0
50.689632415771484	144.0
50.912349700927734	160.0
50.98729705810547	164.0
51.0103874206543	200.0
51.49484634399414	176.0
51.58772277832031	160.0
52.276180267333984	152.0
52.489376068115234	188.0
53.3552131652832	140.0
53.682823181152344	180.0
54.06996154785156	164.0
54.170989990234375	156.0
54.2633171081543	176.0
54.75263977050781	196.0
54.84521484375	168.0
55.27670669555664	184.0
55.5003776550293	164.0
55.7230110168457	192.0
57.239715576171875	216.0
57.310508728027344	168.0
58.16345977783203	276.0
58.30015182495117	228.0
58.37311935424805	180.0
58.447654724121094	164.0
58.76457595825195	192.0
58.813411712646484	172.0
59.04258728027344	180.0
59.108367919921875	168.0
59.16499710083008	168.0
59.43781661987305	152.0
59.6835823059082	208.0
59.708187103271484	176.0
60.0809440612793	176.0
60.45795822143555	172.0
60.51987838745117	160.0
60.77252197265625	140.0
61.52580261230469	212.0
61.62575912475586	180.0
61.86817169189453	140.0
62.32928466796875	164.0
62.69751739501953	168.0
63.01310729980469	208.0
63.09140396118164	180.0
63.232906341552734	180.0
64.13187408447266	336.0
64.63652801513672	192.0
64.76780700683594	212.0
64.83189392089844	208.0
65.53571319580078	232.0
65.66790008544922	192.0
66.04014587402344	160.0
66.11865997314453	148.0
66.32759094238281	208.0
66.55309295654297	204.0
66.705810546875	216.0
66.74482727050781	144.0
67.14053344726562	144.0
68.18997192382812	140.0
68.35442352294922	164.0
68.68062591552734	172.0
68.90843963623047	168.0
69.23760986328125	192.0
69.36353302001953	152.0
69.86337280273438	148.0
70.29657745361328	148.0
70.43682098388672	192.0
70.52704620361328	156.0
70.66417694091797	148.0
71.42748260498047	188.0
71.4796371459961	180.0
71.62442016601562	200.0
71.80299377441406	156.0
71.89586639404297	164.0
72.26084899902344	160.0
72.36578369140625	184.0
72.48096466064453	160.0
72.73026275634766	140.0
72.76219177246094	168.0
72.82874298095703	176.0
73.1484146118164	140.0
73.86860656738281	168.0
74.0328369140625	172.0
74.35684967041016	184.0
74.42894744873047	164.0
74.56122589111328	164.0
75.79508209228516	168.0
76.44277954101562	156.0
76.6256103515625	180.0
76.82434844970703	140.0
77.48518371582031	160.0
77.95366668701172	148.0
78.71641540527344	152.0
79.10537719726562	192.0
79.6089096069336	196.0
81.18827056884766	180.0
82.38563537597656	176.0
83.04955291748047	180.0
83.80302429199219	176.0
84.88607788085938	160.0
84.95394134521484	156.0
86.22813415527344	228.0
86.82056427001953	152.0
86.94857025146484	208.0
87.3945541381836	164.0
88.2301025390625	192.0
88.27310180664062	184.0
88.28619384765625	148.0
88.3460464477539	232.0
88.89126586914062	148.0
89.27824401855469	184.0
89.69810485839844	176.0
90.95980072021484	216.0
91.05504608154297	28772.0
91.47445678710938	188.0
91.79203033447266	148.0
91.94000244140625	156.0
92.0584487915039	2252.0
92.5076675415039	176.0
92.9964599609375	140.0
93.02909088134766	152.0
93.06395721435547	192.0
94.18252563476562	140.0
94.74156188964844	196.0
96.08037567138672	296.0
97.08951568603516	276.0
97.33563995361328	236.0
97.63826751708984	168.0
98.3791275024414	176.0
98.4627456665039	172.0
99.6029052734375	148.0
99.9647445678711	152.0
100.90620422363281	204.0
101.2443618774414	248.0
102.2642593383789	228.0
102.7942886352539	200.0
102.82254028320312	216.0
103.05072021484375	176.0
103.06688690185547	160.0
103.30949401855469	208.0
103.42686462402344	216.0
104.05325317382812	204.0
104.38241577148438	200.0
104.89750671386719	164.0
104.9892578125	156.0
105.07206726074219	272.0
106.45449829101562	156.0
108.09745025634766	160.0
108.45365905761719	192.0
109.00778198242188	176.0
110.38148498535156	176.0
111.51984405517578	172.0
112.49510192871094	212.0
113.474609375	156.0
114.18171691894531	180.0
114.64155578613281	144.0
115.44207763671875	164.0
116.40424346923828	172.0
116.95245361328125	160.0
117.55805969238281	180.0
117.72428131103516	196.0
118.48181915283203	188.0
118.72708129882812	176.0
118.82168579101562	200.0
118.8737564086914	148.0
118.90196990966797	252.0
118.99376678466797	108.0
119.04045104980469	176.0
119.08599853515625	59036.0
119.18364715576172	252.0
119.2193832397461	100.0
119.36685943603516	152.0
119.45968627929688	100.0
119.91764068603516	156.0
119.95687103271484	152.0
120.08907318115234	4516.0
120.16505432128906	104.0
120.73634338378906	140.0
120.84445190429688	200.0
120.9770278930664	184.0
121.09385681152344	384.0
121.9685287475586	204.0
122.69937896728516	160.0
123.2843017578125	144.0
126.36846923828125	184.0
126.45574188232422	196.0
126.89928436279297	176.0
127.06973266601562	152.0
127.09394073486328	152.0
128.06332397460938	156.0
128.96131896972656	208.0
129.07887268066406	188.0
129.13766479492188	188.0
130.0757293701172	192.0
131.09036254882812	200.0
131.33175659179688	216.0
132.10153198242188	204.0
132.7907257080078	180.0
133.13644409179688	256.0
135.77767944335938	176.0
137.70472717285156	180.0
138.21669006347656	144.0
140.7506103515625	188.0
141.06956481933594	156.0
143.0847625732422	164.0
144.9442596435547	148.0
145.1024627685547	152.0
145.92967224121094	180.0
147.00022888183594	204.0
148.01304626464844	140.0
148.11083984375	484.0
149.1484375	196.0
153.95799255371094	296.0
155.51028442382812	144.0
155.8032989501953	176.0
158.6282196044922	148.0
162.2151336669922	156.0
162.78111267089844	204.0
163.12918090820312	156.0
163.9640350341797	140.0
164.24703979492188	152.0
166.4711151123047	176.0
167.86842346191406	164.0
170.44921875	176.0
170.69876098632812	164.0
171.13330078125	160.0
177.00193786621094	208.0
179.78515625	212.0
180.80870056152344	140.0
181.8244171142578	200.0
183.01527404785156	184.0
184.5099639892578	144.0
184.77499389648438	144.0
184.91029357910156	180.0
185.55227661132812	156.0
186.79331970214844	152.0
187.37045288085938	136.0
187.6239013671875	176.0
187.84478759765625	180.0
187.88768005371094	144.0
187.9702911376953	140.0
188.10401916503906	192.0
188.14425659179688	86248.0
188.54452514648438	108.0
188.59315490722656	192.0
189.06930541992188	148.0
189.14671325683594	12660.0
189.5413360595703	132.0
189.6796112060547	148.0
190.1493377685547	552.0
190.4451446533203	152.0
190.65142822265625	100.0
191.0645294189453	144.0
191.71896362304688	140.0
302.56658935546875	148.0
1105.62451171875	172.0
1110.9715576171875	148.0
1132.9176025390625	184.0
1142.2349853515625	172.0
1142.322509765625	188.0
1156.1878662109375	184.0
1158.95751953125	180.0
1162.82275390625	172.0
1174.1982421875	188.0
1177.8428955078125	188.0
1190.410400390625	200.0
1193.2618408203125	168.0
1203.4588623046875	240.0
1206.4088134765625	184.0
1215.3153076171875	144.0
1221.5330810546875	168.0
1224.6793212890625	152.0
1232.0384521484375	160.0
1234.61767578125	172.0
1243.4449462890625	188.0
1255.771240234375	160.0
1266.1817626953125	144.0
1272.1661376953125	148.0
1275.170654296875	140.0
1293.09375	140.0
1293.7593994140625	192.0
1300.3897705078125	216.0
1301.7681884765625	176.0
1312.95849609375	156.0
1328.5394287109375	160.0
1330.621337890625	180.0
1335.1337890625	208.0
1336.959716796875	144.0
1338.7578125	156.0
1347.233154296875	160.0
1350.7420654296875	228.0
1356.723876953125	156.0
1357.626708984375	168.0
1366.5513916015625	188.0
1366.6690673828125	156.0
1372.281494140625	212.0
1378.5555419921875	176.0
1386.4962158203125	168.0
1389.3953857421875	160.0
1391.63671875	140.0
1391.941162109375	220.0
1401.5662841796875	180.0
1409.8642578125	200.0
1421.734130859375	156.0
1422.1544189453125	332.0
1425.4888916015625	140.0
1429.3614501953125	172.0
1430.678466796875	156.0
1432.7117919921875	216.0
1437.2203369140625	176.0
1440.9954833984375	152.0
1450.9022216796875	168.0
1452.3505859375	192.0
1453.2230224609375	148.0
1453.37548828125	204.0
1453.708251953125	156.0
1459.4892578125	152.0
1459.9910888671875	188.0
1467.94140625	204.0
1470.68017578125	164.0
1473.7042236328125	156.0
1474.3240966796875	180.0
1474.6748046875	196.0
1483.9603271484375	160.0
1485.555419921875	160.0
1485.6859130859375	168.0
1488.90966796875	176.0
1490.3077392578125	232.0
1490.6995849609375	152.0
1493.175048828125	188.0
1496.71484375	164.0
1499.2183837890625	276.0
1503.0509033203125	156.0
1503.529296875	204.0
1510.4443359375	200.0
1510.88525390625	264.0
1518.0419921875	264.0
1527.182861328125	172.0
1527.8907470703125	144.0
1538.8719482421875	148.0
1541.6527099609375	144.0
1551.8128662109375	212.0
1553.7342529296875	152.0
1554.817138671875	176.0
1555.2880859375	252.0
1557.6123046875	176.0
1570.1346435546875	160.0
1570.639404296875	212.0
1570.7025146484375	180.0
1574.7279052734375	188.0
1575.383544921875	184.0
1576.8531494140625	156.0
1579.7154541015625	188.0
1580.039794921875	148.0
1581.8995361328125	180.0
1583.047607421875	176.0
1584.10888671875	148.0
1585.661865234375	140.0
1590.8890380859375	156.0
1595.21044921875	164.0
1595.5125732421875	248.0
1596.681396484375	204.0
1606.8055419921875	184.0
1608.625	148.0
1611.220458984375	160.0
1618.8509521484375	208.0
1619.4755859375	176.0
1619.6278076171875	184.0
1623.418701171875	160.0
1624.669921875	144.0
1625.4161376953125	236.0
1625.6728515625	164.0
1631.82568359375	200.0
1643.681884765625	252.0
1647.912841796875	164.0
1649.9251708984375	168.0
1651.9227294921875	160.0
1658.2139892578125	140.0
1658.3275146484375	184.0
1660.119140625	156.0
1667.4337158203125	188.0
1668.1246337890625	156.0
1668.490478515625	156.0
1673.6405029296875	160.0
1674.4874267578125	160.0
1674.943603515625	184.0
1683.5562744140625	152.0
1684.6922607421875	144.0
1686.440185546875	172.0
1689.2694091796875	152.0
1689.89111328125	252.0
1695.7379150390625	168.0
1701.4306640625	156.0
1707.29736328125	148.0
1710.2838134765625	152.0
1711.65869140625	336.0
1714.7562255859375	236.0
1720.7779541015625	164.0
1725.9832763671875	200.0
1726.8184814453125	200.0
1731.7015380859375	140.0
1732.2896728515625	168.0
1734.8917236328125	260.0
1739.4127197265625	220.0
1740.085205078125	168.0
1748.2974853515625	172.0
1751.6029052734375	172.0
1754.052734375	152.0
1756.33740234375	176.0
1758.7738037109375	272.0
1759.5418701171875	224.0
1765.5078125	144.0
1770.964599609375	200.0
1772.43896484375	184.0
1776.9498291015625	140.0
1778.4267578125	180.0
1782.163818359375	200.0
1788.6898193359375	160.0
1789.81787109375	188.0
1799.6676025390625	236.0
1800.80615234375	172.0
1802.9429931640625	248.0
1804.3214111328125	140.0
1808.449462890625	176.0
1822.858154296875	200.0
1824.0224609375	192.0
1824.8216552734375	144.0
1824.9576416015625	160.0
1827.5262451171875	176.0
1829.5347900390625	140.0
1829.849853515625	188.0
1830.71826171875	148.0
1830.9482421875	168.0
1843.651123046875	156.0
1848.970458984375	176.0
1849.732177734375	144.0
1853.61181640625	164.0
1869.2142333984375	232.0
1869.3089599609375	152.0
1870.5740966796875	160.0
1871.2713623046875	144.0
1873.562255859375	164.0
1879.0194091796875	148.0
1884.24267578125	140.0
1887.7432861328125	212.0
1888.876220703125	148.0
1889.429931640625	164.0
1889.6981201171875	232.0
1893.01318359375	148.0
1896.2532958984375	228.0
1902.837158203125	232.0
1903.514404296875	184.0
1904.8084716796875	156.0
1910.371826171875	204.0
1914.619384765625	148.0
1918.4705810546875	180.0
1925.49462890625	200.0
1925.95751953125	140.0
1926.6650390625	160.0
1929.68896484375	180.0
1933.3714599609375	184.0
1937.1539306640625	208.0
1942.115234375	156.0
1943.09765625	164.0
1944.5367431640625	216.0
1945.001953125	208.0
1945.2476806640625	188.0
1947.082763671875	144.0
1948.883544921875	208.0
1964.3165283203125	172.0
1965.44580078125	204.0
1966.19580078125	148.0
1966.3194580078125	140.0
1966.8402099609375	140.0
1968.09375	180.0
1968.296875	152.0
1969.23291015625	184.0
1972.855712890625	184.0
1973.6868896484375	164.0
1980.5985107421875	172.0
1980.85546875	156.0
1985.2071533203125	200.0
1993.489501953125	168.0
1997.170166015625	200.0
2000.204345703125	184.0
2000.3734130859375	232.0
2000.6939697265625	188.0
2000.854248046875	216.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079183
PEPMASS=387.163635
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Mesoridazine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)S(=O)C
INCHI=InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
INCHIAUX=SLVMESMUVMCQIY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079183
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079183
SCANS=1101
45.08359909057617	152.0
46.35261535644531	156.0
46.90849304199219	192.0
47.17195129394531	188.0
47.85929489135742	148.0
47.8923454284668	236.0
49.01173400878906	224.0
49.153961181640625	160.0
49.387271881103516	140.0
49.61692810058594	192.0
50.1595573425293	180.0
51.892581939697266	180.0
54.0055046081543	208.0
54.1504020690918	160.0
54.5936164855957	224.0
54.72899627685547	200.0
56.98392868041992	208.0
57.13276672363281	180.0
57.146305084228516	156.0
57.55024337768555	220.0
60.43001174926758	148.0
60.95875930786133	188.0
61.42427444458008	164.0
61.802345275878906	172.0
64.50208282470703	252.0
65.12217712402344	164.0
66.44586944580078	172.0
68.10607147216797	196.0
69.82833862304688	168.0
70.98734283447266	224.0
71.19039154052734	188.0
71.22398376464844	148.0
71.28782653808594	144.0
71.88732147216797	144.0
72.40801239013672	184.0
72.52322387695312	176.0
73.43285369873047	160.0
73.46867370605469	204.0
74.53361511230469	164.0
74.63674926757812	140.0
74.8449478149414	144.0
74.92589569091797	184.0
76.17830657958984	160.0
76.20619201660156	204.0
76.50358581542969	140.0
76.76667785644531	156.0
76.9883041381836	148.0
77.60424041748047	148.0
78.06429290771484	220.0
78.16632080078125	176.0
78.38290405273438	184.0
78.65274047851562	176.0
79.59813690185547	164.0
79.8629379272461	236.0
81.13076782226562	212.0
81.18814849853516	152.0
81.31193542480469	184.0
81.35321807861328	156.0
81.81883239746094	176.0
82.11614990234375	168.0
83.24724578857422	192.0
83.59263610839844	176.0
83.87857055664062	152.0
84.01898956298828	172.0
86.17810821533203	176.0
86.38331604003906	228.0
87.17140197753906	124.0
87.81915283203125	156.0
88.63423919677734	224.0
88.71858215332031	140.0
89.28186798095703	152.0
89.9620590209961	184.0
91.02041625976562	176.0
91.17428588867188	180.0
92.16136932373047	164.0
92.60518646240234	160.0
94.00984954833984	164.0
94.06436157226562	100.0
95.00701141357422	164.0
95.08650207519531	124.0
95.9884033203125	124.0
96.08110809326172	180.0
96.1413803100586	152.0
96.32099914550781	180.0
96.72576904296875	184.0
97.0882339477539	164.0
97.11176300048828	196.0
97.91441345214844	168.0
98.07322692871094	160.0
98.09711456298828	27596.0
98.3287124633789	124.0
98.38292694091797	156.0
98.45203399658203	160.0
98.47054290771484	172.0
98.6654281616211	160.0
98.99585723876953	156.0
99.09983825683594	2120.0
99.13592529296875	192.0
99.65837097167969	156.0
99.72425842285156	156.0
99.81237030029297	140.0
99.97653198242188	168.0
100.0999526977539	144.0
100.11859130859375	244.0
100.36695861816406	260.0
100.66427612304688	164.0
102.02875518798828	144.0
102.78202056884766	148.0
104.1363525390625	160.0
107.72512817382812	140.0
107.78504180908203	176.0
109.6506576538086	208.0
110.09523010253906	276.0
111.10600280761719	196.0
112.1156005859375	296.0
113.3070068359375	252.0
114.98472595214844	212.0
116.01268768310547	184.0
117.07068634033203	204.0
117.15899658203125	156.0
117.68307495117188	184.0
117.99418640136719	216.0
118.292724609375	196.0
121.586181640625	148.0
123.37031555175781	164.0
124.11011505126953	280.0
124.36489868164062	164.0
124.83588409423828	192.0
125.08284759521484	172.0
125.11880493164062	620.0
125.23648071289062	148.0
125.31222534179688	156.0
126.12824249267578	33896.0
126.25931549072266	152.0
126.6446762084961	148.0
126.91253662109375	220.0
127.13143157958984	1892.0
127.89751434326172	152.0
127.98873901367188	132.0
128.13265991210938	224.0
128.1570587158203	144.0
128.2816925048828	148.0
128.88653564453125	148.0
132.29583740234375	184.0
132.4950714111328	180.0
133.015625	144.0
133.7626953125	156.0
134.05288696289062	172.0
135.01785278320312	204.0
135.09881591796875	188.0
135.12689208984375	144.0
135.77403259277344	132.0
136.13949584960938	148.0
137.0769805908203	200.0
138.03871154785156	164.0
138.05975341796875	252.0
139.1868896484375	188.0
140.6795654296875	156.0
142.0070037841797	168.0
142.9882354736328	144.0
143.08106994628906	152.0
144.88653564453125	144.0
147.0144805908203	192.0
147.42501831054688	196.0
147.49026489257812	192.0
149.63717651367188	200.0
150.3586883544922	144.0
153.19068908691406	200.0
154.37786865234375	200.0
155.08840942382812	164.0
156.23562622070312	160.0
156.27886962890625	148.0
156.51437377929688	176.0
156.55172729492188	168.0
156.962890625	172.0
157.45449829101562	156.0
157.55691528320312	152.0
158.23216247558594	196.0
158.3423309326172	196.0
161.0940704345703	156.0
163.48756408691406	212.0
164.76754760742188	156.0
164.92599487304688	252.0
165.71160888671875	168.0
167.06651306152344	180.0
167.59750366210938	140.0
167.7830810546875	164.0
168.58580017089844	164.0
169.18328857421875	140.0
169.4033966064453	152.0
170.16065979003906	140.0
170.36322021484375	144.0
170.4645538330078	256.0
170.87538146972656	140.0
171.27886962890625	140.0
171.70370483398438	200.0
175.3953857421875	176.0
179.07188415527344	304.0
179.19293212890625	144.0
179.61679077148438	144.0
180.07745361328125	148.0
180.26556396484375	176.0
180.70872497558594	184.0
181.0252685546875	156.0
181.30386352539062	160.0
184.0341796875	156.0
184.5475311279297	144.0
184.68003845214844	216.0
185.11575317382812	144.0
186.0864715576172	164.0
187.1876678466797	264.0
189.0220184326172	144.0
190.10848999023438	108.0
190.27734375	192.0
190.33775329589844	160.0
191.33856201171875	148.0
192.11166381835938	120.0
192.70375061035156	148.0
193.63595581054688	184.0
193.72930908203125	148.0
194.01132202148438	180.0
194.2235565185547	228.0
194.65371704101562	152.0
195.4114532470703	124.0
195.5349578857422	160.0
196.10877990722656	152.0
196.56605529785156	180.0
197.02847290039062	136.0
197.81504821777344	180.0
197.83775329589844	164.0
198.0363006591797	184.0
198.939453125	200.0
199.62501525878906	196.0
199.82470703125	140.0
200.04421997070312	192.0
200.48641967773438	204.0
200.90936279296875	140.0
201.5514678955078	196.0
202.48660278320312	184.0
203.15380859375	216.0
204.1069793701172	164.0
204.1667022705078	156.0
205.0492401123047	140.0
205.13067626953125	152.0
205.80519104003906	152.0
206.38807678222656	180.0
206.90878295898438	152.0
207.232421875	180.0
207.3606719970703	148.0
207.59071350097656	184.0
209.00973510742188	144.0
209.60865783691406	140.0
209.6778106689453	164.0
210.0325164794922	176.0
210.97093200683594	140.0
211.04615783691406	700.0
212.0463409423828	404.0
213.056640625	372.0
213.10105895996094	156.0
213.3022918701172	208.0
214.6612091064453	152.0
216.1129150390625	144.0
216.37339782714844	192.0
216.613525390625	168.0
217.0590057373047	264.0
217.52842712402344	468.0
219.47897338867188	172.0
220.09860229492188	144.0
220.63929748535156	152.0
221.11256408691406	148.0
222.891845703125	152.0
223.0435028076172	132.0
223.09393310546875	176.0
223.36752319335938	188.0
223.92410278320312	144.0
224.0522003173828	112.0
224.43194580078125	128.0
225.0614471435547	292.0
225.09310913085938	228.0
225.5561981201172	184.0
225.63092041015625	144.0
226.0662384033203	396.0
226.1663818359375	192.0
227.0420379638672	384.0
227.06822204589844	140.0
227.52430725097656	200.0
227.59637451171875	200.0
228.0501251220703	524.0
228.59432983398438	176.0
229.07313537597656	204.0
229.94442749023438	140.0
230.0229034423828	156.0
232.09222412109375	144.0
232.12255859375	164.0
232.158935546875	212.0
232.59886169433594	232.0
232.68386840820312	152.0
232.72637939453125	160.0
233.0179443359375	164.0
234.1732635498047	140.0
235.11593627929688	140.0
235.3937225341797	172.0
236.05726623535156	164.0
236.33050537109375	144.0
237.0344696044922	180.0
237.3612823486328	192.0
237.69869995117188	180.0
238.0690460205078	168.0
238.12542724609375	172.0
239.0701446533203	116.0
239.59266662597656	212.0
239.916259765625	164.0
240.37889099121094	156.0
241.71998596191406	284.0
241.79776000976562	132.0
242.01370239257812	200.0
243.01553344726562	444.0
243.035888671875	240.0
243.3162078857422	168.0
243.49478149414062	244.0
244.02508544921875	1664.0
244.72149658203125	228.0
245.03237915039062	956.0
245.11395263671875	160.0
246.00474548339844	716.0
246.0319366455078	432.0
246.64942932128906	168.0
246.74700927734375	112.0
247.01123046875	440.0
247.07015991210938	132.0
247.12164306640625	164.0
248.01231384277344	368.0
248.12013244628906	212.0
248.62571716308594	160.0
249.83541870117188	140.0
250.0645294189453	172.0
250.12384033203125	176.0
250.49851989746094	136.0
250.92811584472656	116.0
250.9534454345703	200.0
251.63177490234375	152.0
252.04058837890625	176.0
252.08978271484375	244.0
252.73800659179688	216.0
252.79812622070312	160.0
253.09716796875	164.0
253.35855102539062	156.0
253.99571228027344	200.0
254.19558715820312	184.0
255.01893615722656	168.0
255.11520385742188	168.0
255.43145751953125	184.0
256.0268859863281	244.0
257.2126770019531	172.0
258.04083251953125	1480.0
258.11785888671875	148.0
258.45587158203125	188.0
259.01141357421875	9476.0
259.1260681152344	160.0
259.1634826660156	168.0
259.456298828125	136.0
259.8175354003906	140.0
260.0173645019531	2120.0
260.1930236816406	188.0
260.5086364746094	200.0
261.0164489746094	700.0
261.478759765625	160.0
261.6373596191406	132.0
261.77545166015625	148.0
261.83935546875	168.0
261.90191650390625	160.0
262.0298767089844	216.0
262.0744934082031	168.0
262.31298828125	156.0
263.0255432128906	128.0
264.08465576171875	100.0
264.5030517578125	180.0
264.5483703613281	164.0
265.07952880859375	176.0
265.92596435546875	144.0
266.0006103515625	156.0
266.9605407714844	132.0
268.02655029296875	264.0
269.0387268066406	232.0
269.0639343261719	140.0
269.24676513671875	180.0
270.0246887207031	272.0
270.7020263671875	148.0
270.96405029296875	164.0
271.02117919921875	156.0
271.8620300292969	180.0
272.06268310546875	192.0
272.3385314941406	188.0
272.5619201660156	188.0
273.0155334472656	164.0
273.3156433105469	156.0
274.0357971191406	6808.0
274.1258850097656	204.0
274.55535888671875	136.0
274.61407470703125	128.0
274.7579650878906	176.0
274.932861328125	164.0
275.04046630859375	1468.0
275.15069580078125	140.0
276.0330505371094	1156.0
277.10198974609375	144.0
277.2146301269531	252.0
278.029541015625	208.0
279.04022216796875	160.0
279.0958557128906	104.0
280.13177490234375	156.0
280.23504638671875	224.0
280.9851989746094	140.0
281.03192138671875	164.0
281.27886962890625	180.0
281.8299865722656	136.0
282.0440368652344	112.0
283.0549621582031	224.0
284.0588073730469	300.0
284.1031799316406	148.0
284.232421875	164.0
284.3246154785156	160.0
284.73419189453125	148.0
285.0231018066406	196.0
285.0707092285156	144.0
285.89739990234375	264.0
286.0252990722656	140.0
286.1734313964844	156.0
288.0045471191406	160.0
288.0619812011719	148.0
288.2410583496094	208.0
289.0376892089844	188.0
289.6999206542969	144.0
290.0719909667969	140.0
290.0993347167969	128.0
290.44158935546875	140.0
290.9454650878906	148.0
291.10406494140625	104.0
291.54840087890625	176.0
291.9337158203125	140.0
292.12823486328125	120.0
293.2296142578125	160.0
294.0366516113281	236.0
295.02996826171875	172.0
295.5414733886719	176.0
295.62359619140625	268.0
296.6134033203125	156.0
297.0714111328125	176.0
298.9454040527344	140.0
299.05755615234375	196.0
299.1312561035156	156.0
299.79254150390625	156.0
300.2135009765625	172.0
300.3096923828125	192.0
300.58221435546875	264.0
300.8572082519531	148.0
301.5076904296875	188.0
302.17401123046875	148.0
302.3965148925781	208.0
302.62896728515625	132.0
303.90740966796875	176.0
304.2197570800781	188.0
305.35943603515625	152.0
305.9161682128906	148.0
306.0832824707031	216.0
306.1982116699219	180.0
306.2783203125	148.0
307.1357727050781	148.0
308.68988037109375	184.0
309.11920166015625	320.0
309.2076416015625	144.0
309.6309509277344	140.0
310.4758605957031	192.0
311.18817138671875	208.0
311.5182800292969	192.0
311.5744934082031	244.0
313.10107421875	160.0
313.1679992675781	180.0
313.6683349609375	196.0
313.7247314453125	184.0
315.3625793457031	192.0
315.69488525390625	148.0
316.1229248046875	172.0
316.6185302734375	300.0
316.9940490722656	180.0
317.1499938964844	152.0
317.7066955566406	180.0
318.15740966796875	140.0
319.5220947265625	152.0
320.152099609375	164.0
320.6472473144531	140.0
320.7720642089844	148.0
320.9859619140625	168.0
321.14031982421875	488.0
322.1495361328125	232.0
323.0772399902344	128.0
323.1571044921875	276.0
323.6121826171875	144.0
324.0168762207031	140.0
324.16485595703125	452.0
324.7342834472656	152.0
324.93109130859375	176.0
325.0217590332031	148.0
325.1699523925781	144.0
325.6957092285156	336.0
325.7890930175781	168.0
325.8178405761719	160.0
326.1119384765625	128.0
326.4180908203125	224.0
326.7422790527344	148.0
327.1080322265625	140.0
327.6562194824219	144.0
328.1247253417969	156.0
328.3050231933594	184.0
328.9111633300781	160.0
329.098876953125	152.0
329.5756530761719	156.0
329.72381591796875	160.0
330.08892822265625	300.0
330.9718017578125	144.0
331.6239013671875	164.0
332.7157287597656	148.0
332.96990966796875	164.0
333.7286376953125	100.0
334.1985778808594	152.0
335.1087951660156	176.0
335.9053039550781	132.0
336.1441955566406	208.0
336.4764709472656	180.0
337.0549011230469	196.0
337.1010437011719	152.0
337.3402099609375	180.0
338.1004943847656	188.0
338.81341552734375	196.0
338.9342956542969	264.0
339.1104431152344	192.0
339.1949462890625	136.0
340.1188659667969	144.0
340.2039794921875	228.0
340.4676513671875	156.0
341.09002685546875	160.0
341.12591552734375	200.0
341.4305114746094	172.0
341.72845458984375	176.0
341.85723876953125	148.0
342.43890380859375	160.0
344.12164306640625	160.0
345.1808776855469	180.0
347.6368408203125	164.0
347.81719970703125	100.0
348.1639709472656	200.0
348.7063903808594	172.0
349.20458984375	156.0
350.5986022949219	108.0
351.40985107421875	152.0
353.3414306640625	216.0
353.65948486328125	144.0
354.1206970214844	264.0
354.5171203613281	148.0
354.8282470703125	216.0
355.1260070800781	284.0
355.279541015625	176.0
356.13006591796875	672.0
356.18670654296875	184.0
356.89697265625	176.0
357.1028137207031	152.0
357.1424865722656	332.0
357.4160461425781	192.0
358.1141662597656	104.0
358.86602783203125	116.0
359.1263732910156	140.0
359.5074157714844	236.0
360.171875	148.0
364.04632568359375	140.0
365.9223327636719	124.0
368.29278564453125	140.0
368.732177734375	164.0
368.96917724609375	188.0
369.07623291015625	204.0
369.1479797363281	404.0
369.3196105957031	176.0
369.74566650390625	160.0
370.1527404785156	1280.0
370.24334716796875	152.0
370.5689392089844	204.0
371.0601806640625	136.0
371.1553955078125	316.0
371.3624267578125	168.0
371.522705078125	204.0
371.7120361328125	140.0
372.00885009765625	156.0
372.0533752441406	132.0
372.13287353515625	15404.0
372.3140869140625	112.0
372.54302978515625	212.0
373.0317077636719	120.0
373.1345520019531	3244.0
373.5518493652344	176.0
373.6334228515625	236.0
374.0174560546875	164.0
374.13006591796875	1912.0
374.3985900878906	144.0
374.52398681640625	136.0
374.72216796875	148.0
375.1396484375	116.0
375.49200439453125	140.0
375.8441467285156	156.0
376.6046447753906	144.0
378.766845703125	224.0
379.6970520019531	172.0
380.97406005859375	152.0
381.005126953125	248.0
381.1255798339844	196.0
381.2382507324219	144.0
381.94195556640625	172.0
382.3504943847656	144.0
382.5022888183594	212.0
382.758056640625	272.0
383.1379089355469	180.0
383.1930847167969	176.0
383.6319580078125	152.0
383.6871643066406	144.0
383.7837219238281	168.0
384.1640319824219	776.0
384.4752197265625	124.0
384.5455017089844	116.0
384.7024841308594	288.0
384.93292236328125	116.0
384.9591369628906	148.0
385.17193603515625	512.0
385.3066711425781	112.0
385.3531494140625	216.0
385.38427734375	180.0
385.7302551269531	336.0
385.7545471191406	188.0
385.8321533203125	100.0
385.913330078125	256.0
385.95745849609375	228.0
386.0090637207031	288.0
386.0771484375	204.0
386.1561584472656	412.0
386.1915283203125	248.0
386.2928466796875	208.0
386.3797607421875	140.0
386.445556640625	540.0
386.5230407714844	236.0
386.5904846191406	212.0
386.6441650390625	208.0
386.68597412109375	256.0
386.73297119140625	108.0
386.7702331542969	156.0
386.8111267089844	112.0
386.88580322265625	164.0
386.9381103515625	324.0
386.9754943847656	268.0
387.0010070800781	336.0
387.07470703125	1068.0
387.10406494140625	684.0
387.15838623046875	222392.0
387.29571533203125	224.0
387.421875	136.0
387.4642639160156	344.0
387.5199890136719	584.0
387.5766906738281	144.0
387.6206970214844	328.0
387.6490173339844	344.0
387.7430419921875	220.0
387.74993896484375	280.0
387.80401611328125	8092.0
387.8473205566406	688.0
387.9552001953125	104.0
387.9661865234375	112.0
388.059326171875	136.0
388.1608581542969	110540.0
388.2569885253906	372.0
388.2995910644531	240.0
388.3580627441406	156.0
388.4333190917969	288.0
388.47613525390625	240.0
388.51409912109375	416.0
388.5529479980469	172.0
388.6069641113281	120.0
388.6542663574219	224.0
388.7015075683594	168.0
388.748291015625	300.0
388.80511474609375	808.0
388.8501281738281	196.0
388.9073181152344	140.0
388.9339599609375	304.0
389.0034484863281	256.0
389.0736389160156	228.0
389.1044921875	380.0
389.1551208496094	48852.0
389.2229309082031	180.0
389.26287841796875	116.0
389.29437255859375	180.0
389.3605651855469	120.0
389.4290466308594	172.0
389.4869384765625	168.0
389.5906066894531	152.0
389.62237548828125	136.0
389.6512145996094	168.0
389.6880187988281	132.0
389.7304992675781	212.0
389.8869934082031	384.0
389.98480224609375	240.0
390.0138854980469	208.0
390.05889892578125	232.0
390.15545654296875	7160.0
390.2721252441406	244.0
390.3381042480469	112.0
390.37005615234375	452.0
390.4399108886719	320.0
390.5528564453125	308.0
390.59588623046875	284.0
390.6614074707031	344.0
390.6939392089844	548.0
390.7909240722656	192.0
390.9859924316406	224.0
391.06939697265625	128.0
391.1547546386719	420.0
391.28509521484375	132.0
391.60675048828125	192.0
391.6792297363281	164.0
391.72265625	124.0
391.76873779296875	116.0
391.9150085449219	96.0
392.0005187988281	100.0
392.1866455078125	156.0
392.21417236328125	136.0
392.3269348144531	100.0
392.64825439453125	96.0
393.64923095703125	168.0
394.07373046875	96.0
394.64501953125	128.0
396.3077392578125	108.0
396.48516845703125	156.0
404.24884033203125	108.0
406.6954650878906	156.0
434.82855224609375	152.0
438.74267578125	160.0
442.07574462890625	140.0
502.4283447265625	144.0
553.0929565429688	144.0
554.5027465820312	148.0
658.8140258789062	104.0
682.4539794921875	100.0
739.474609375	160.0
812.2924194335938	112.0
1026.9901123046875	140.0
1038.64404296875	188.0
1140.14892578125	220.0
1144.5550537109375	152.0
1164.2738037109375	180.0
1164.8533935546875	124.0
1193.8857421875	152.0
1254.9654541015625	212.0
1259.489013671875	168.0
1287.57958984375	148.0
1294.9388427734375	156.0
1300.3375244140625	164.0
1316.998779296875	96.0
1328.195556640625	240.0
1343.617431640625	196.0
1399.635009765625	164.0
1403.4947509765625	156.0
1408.143798828125	192.0
1417.922119140625	200.0
1419.81884765625	164.0
1430.6236572265625	172.0
1439.173095703125	200.0
1452.1588134765625	152.0
1458.92431640625	148.0
1459.076416015625	180.0
1475.375732421875	168.0
1502.5933837890625	144.0
1509.4830322265625	148.0
1514.939453125	216.0
1515.45849609375	160.0
1525.4698486328125	168.0
1526.4884033203125	148.0
1536.7232666015625	200.0
1557.96337890625	140.0
1558.4111328125	176.0
1560.2659912109375	148.0
1567.357421875	156.0
1587.0308837890625	164.0
1598.4847412109375	220.0
1602.1552734375	204.0
1625.6221923828125	156.0
1633.7532958984375	176.0
1638.8333740234375	200.0
1641.3885498046875	264.0
1647.853759765625	148.0
1653.7083740234375	168.0
1665.018310546875	140.0
1666.423583984375	160.0
1669.4798583984375	164.0
1672.791259765625	172.0
1679.146728515625	156.0
1682.00244140625	188.0
1683.006591796875	172.0
1695.6614990234375	144.0
1699.5157470703125	168.0
1725.104248046875	240.0
1739.5262451171875	152.0
1740.5474853515625	168.0
1744.70166015625	236.0
1752.7666015625	168.0
1761.9610595703125	164.0
1770.509521484375	156.0
1771.0623779296875	144.0
1791.8197021484375	180.0
1792.8729248046875	184.0
1794.1962890625	176.0
1802.129638671875	168.0
1812.291259765625	180.0
1813.5455322265625	156.0
1814.3846435546875	184.0
1818.744873046875	208.0
1822.0057373046875	172.0
1824.52978515625	144.0
1825.2183837890625	236.0
1827.030029296875	196.0
1833.1944580078125	180.0
1839.52294921875	280.0
1841.8138427734375	112.0
1848.3941650390625	152.0
1853.5919189453125	144.0
1854.3212890625	180.0
1854.406005859375	164.0
1856.5750732421875	148.0
1865.152099609375	216.0
1865.238037109375	160.0
1865.7796630859375	164.0
1891.33935546875	156.0
1891.9453125	244.0
1896.397705078125	196.0
1903.1641845703125	156.0
1919.22607421875	172.0
1924.7144775390625	164.0
1945.4114990234375	148.0
1959.3856201171875	152.0
1961.2625732421875	204.0
1964.3929443359375	140.0
1977.0186767578125	148.0
1986.9603271484375	208.0
1988.0428466796875	168.0
1991.585205078125	172.0
1993.3087158203125	212.0
1993.6473388671875	172.0
1995.379638671875	180.0
1995.673095703125	160.0
1997.095947265625	196.0
1998.999755859375	216.0
2001.7503662109375	228.0
2002.409423828125	192.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079184
PEPMASS=415.206665
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Naltrindole [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Oc1ccc2CC3N(CC4CC4)CC[C@]5([C@H]6Oc1c25)[C@@]3(O)Cc7c6[nH]c8ccccc78
INCHI=InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20?,24-,25-,26+/m0/s1
INCHIAUX=WIYUZYBFCWCCQJ-OOGIKFLQSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079184
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079184
SCANS=1070
47.30331039428711	164.0
47.60219955444336	152.0
49.309017181396484	152.0
49.77973175048828	172.0
52.42014694213867	148.0
54.11823272705078	184.0
55.47216796875	148.0
56.250160217285156	188.0
58.920265197753906	140.0
59.525272369384766	176.0
66.7220230102539	184.0
69.89659881591797	148.0
70.06809997558594	152.0
73.03945922851562	160.0
74.85533905029297	196.0
75.37628173828125	160.0
76.38705444335938	144.0
78.24382781982422	140.0
80.556396484375	152.0
85.36898040771484	276.0
90.45930480957031	152.0
92.20539855957031	204.0
93.20956420898438	152.0
94.5614242553711	144.0
96.97264099121094	172.0
98.09722137451172	1544.0
98.2843246459961	188.0
98.99396514892578	164.0
99.09845733642578	444.0
100.8321762084961	204.0
102.4413833618164	140.0
104.58374786376953	164.0
109.62574768066406	172.0
110.5257339477539	168.0
112.60482788085938	184.0
112.77596282958984	164.0
113.97331237792969	192.0
120.8631362915039	144.0
121.74654388427734	152.0
122.76985168457031	160.0
124.01234436035156	204.0
126.23417663574219	144.0
129.0787811279297	216.0
129.85101318359375	176.0
130.0640411376953	1092.0
131.06832885742188	156.0
131.8544921875	148.0
132.0808563232422	184.0
133.1029815673828	156.0
133.18795776367188	204.0
141.8790740966797	184.0
143.08628845214844	164.0
144.0808868408203	344.0
145.8321075439453	148.0
146.9422149658203	180.0
147.04356384277344	256.0
149.09486389160156	140.0
149.20423889160156	140.0
155.06829833984375	288.0
156.07965087890625	552.0
157.3847198486328	276.0
158.05960083007812	160.0
158.21726989746094	144.0
159.04449462890625	172.0
159.07211303710938	216.0
159.1072540283203	168.0
161.05569458007812	156.0
163.08078002929688	144.0
165.16903686523438	164.0
166.1322021484375	168.0
166.4838409423828	156.0
167.0714111328125	140.0
168.08111572265625	192.0
169.0631103515625	156.0
170.09906005859375	184.0
173.0558624267578	172.0
175.06231689453125	160.0
176.0729522705078	96.0
178.40533447265625	200.0
178.99864196777344	148.0
179.5289306640625	148.0
180.08363342285156	196.0
180.95045471191406	172.0
180.9772186279297	172.0
181.09298706054688	140.0
182.09613037109375	192.0
183.06900024414062	192.0
184.07508850097656	128.0
184.1134033203125	364.0
185.06446838378906	128.0
185.115478515625	272.0
187.072021484375	156.0
187.0952606201172	192.0
187.84466552734375	236.0
189.64659118652344	148.0
190.21437072753906	236.0
191.80978393554688	172.0
192.4084014892578	188.0
192.57408142089844	144.0
192.99688720703125	144.0
193.07984924316406	176.0
193.34542846679688	152.0
194.05691528320312	232.0
194.0946044921875	500.0
194.24591064453125	164.0
195.0696563720703	120.0
195.10061645507812	228.0
196.06985473632812	268.0
196.1172332763672	148.0
197.05593872070312	208.0
197.0800323486328	184.0
197.6755828857422	160.0
198.0647430419922	152.0
198.08714294433594	320.0
198.123291015625	164.0
199.0722198486328	180.0
199.80238342285156	248.0
200.0668487548828	164.0
201.07037353515625	164.0
201.09072875976562	224.0
202.08750915527344	240.0
204.09388732910156	264.0
204.5338897705078	168.0
205.0894012451172	144.0
206.05955505371094	148.0
206.0817108154297	276.0
206.5541229248047	140.0
207.0664520263672	160.0
207.0865020751953	156.0
208.10377502441406	172.0
209.09912109375	236.0
210.0562744140625	152.0
210.12844848632812	168.0
211.06472778320312	168.0
211.54388427734375	152.0
212.06883239746094	300.0
212.11244201660156	160.0
213.0753936767578	192.0
213.91262817382812	156.0
214.0838623046875	408.0
215.03480529785156	184.0
215.09901428222656	148.0
216.05450439453125	136.0
216.10092163085938	544.0
217.10716247558594	140.0
217.39947509765625	204.0
218.0896453857422	164.0
218.1160888671875	188.0
218.15431213378906	224.0
218.7338104248047	148.0
219.0889892578125	264.0
220.07020568847656	140.0
220.10594177246094	152.0
221.068359375	204.0
221.1133575439453	136.0
223.07015991210938	192.0
223.18331909179688	144.0
224.07171630859375	268.0
224.11196899414062	148.0
224.1398162841797	128.0
224.22520446777344	164.0
224.5084228515625	160.0
225.07518005371094	164.0
226.086669921875	356.0
226.1231231689453	132.0
226.7805938720703	160.0
227.08021545410156	128.0
227.24839782714844	148.0
229.88426208496094	168.0
230.11048889160156	164.0
230.68161010742188	204.0
231.10899353027344	600.0
232.09707641601562	188.0
232.3593292236328	188.0
233.1049041748047	180.0
233.4771270751953	140.0
234.11468505859375	168.0
234.14666748046875	148.0
234.18930053710938	204.0
236.10910034179688	168.0
237.1179962158203	152.0
238.08731079101562	176.0
238.1394500732422	168.0
239.58363342285156	168.0
240.0120391845703	152.0
241.0937042236328	244.0
242.10105895996094	112.0
242.19076538085938	148.0
243.09727478027344	140.0
244.11257934570312	312.0
247.1229705810547	172.0
248.09719848632812	144.0
248.14601135253906	168.0
248.75462341308594	212.0
249.0749053955078	280.0
249.1063232421875	140.0
250.08241271972656	196.0
250.12295532226562	168.0
250.9315948486328	168.0
251.11358642578125	168.0
251.150146484375	184.0
252.10887145996094	140.0
252.13739013671875	192.0
253.11077880859375	284.0
253.13705444335938	172.0
254.09759521484375	3116.0
255.10302734375	1068.0
256.1181640625	232.0
257.0825500488281	152.0
257.1267395019531	144.0
258.0888671875	200.0
259.1476745605469	140.0
260.1097717285156	188.0
261.1343994140625	188.0
262.0792541503906	328.0
262.1427307128906	176.0
262.47119140625	168.0
263.14892578125	136.0
264.0970764160156	172.0
265.1095886230469	276.0
266.1194763183594	1216.0
267.12054443359375	380.0
268.1103820800781	848.0
269.1209716796875	344.0
270.0885009765625	124.0
270.1130065917969	132.0
271.10205078125	272.0
272.1080017089844	756.0
272.14404296875	204.0
272.3847351074219	148.0
273.1111145019531	264.0
273.746337890625	180.0
274.02630615234375	196.0
274.0845031738281	296.0
274.1536560058594	124.0
275.080078125	120.0
275.1524353027344	504.0
276.0990295410156	352.0
276.1546630859375	164.0
277.2977294921875	180.0
277.7353820800781	164.0
278.10113525390625	244.0
278.75128173828125	148.0
278.92742919921875	152.0
279.0992126464844	332.0
279.998779296875	180.0
280.0720520019531	152.0
280.1126403808594	2848.0
280.8953552246094	232.0
281.1152038574219	676.0
282.04736328125	200.0
282.0915222167969	12032.0
283.09600830078125	2292.0
283.39599609375	156.0
284.10504150390625	536.0
284.8990173339844	188.0
285.07476806640625	184.0
285.108154296875	272.0
286.0888366699219	532.0
287.0884704589844	380.0
287.65362548828125	152.0
287.75830078125	188.0
288.0999755859375	444.0
289.10595703125	620.0
290.09600830078125	408.0
291.1022033691406	1012.0
292.1060485839844	736.0
292.821044921875	184.0
293.1185302734375	172.0
293.89141845703125	176.0
294.0899353027344	140.0
294.130859375	172.0
294.49566650390625	204.0
295.0976257324219	132.0
295.35015869140625	148.0
295.6614990234375	140.0
296.10565185546875	1344.0
296.2161560058594	180.0
297.082275390625	172.0
297.10650634765625	676.0
297.3729553222656	116.0
297.8351745605469	152.0
298.0870361328125	352.0
298.1224670410156	848.0
298.56036376953125	164.0
299.09356689453125	1720.0
299.18658447265625	176.0
299.99652099609375	156.0
300.1025695800781	23612.0
300.5036315917969	108.0
300.5376281738281	172.0
300.8670654296875	184.0
301.1051025390625	3448.0
301.571044921875	172.0
302.1106872558594	604.0
302.2064514160156	232.0
302.56292724609375	204.0
302.8697814941406	96.0
303.11236572265625	152.0
304.1267395019531	156.0
305.109130859375	192.0
306.08966064453125	248.0
306.1282653808594	152.0
306.8535461425781	160.0
307.0986022949219	1476.0
308.107666015625	7280.0
308.1730041503906	176.0
309.1107482910156	1936.0
309.2008972167969	168.0
310.1219177246094	820.0
311.0967102050781	308.0
311.1058654785156	208.0
311.1184387207031	128.0
311.1603698730469	192.0
312.1026306152344	864.0
312.24102783203125	132.0
312.5537109375	112.0
313.1053771972656	1788.0
314.11785888671875	1624.0
314.1769714355469	224.0
314.5257263183594	144.0
315.1174011230469	1304.0
315.2356262207031	184.0
316.13226318359375	580.0
317.1360778808594	148.0
318.1245422363281	132.0
319.13201904296875	124.0
320.1078796386719	192.0
320.13458251953125	284.0
320.17730712890625	148.0
321.11285400390625	348.0
322.1129150390625	168.0
323.3368225097656	188.0
324.1027526855469	184.0
324.1331481933594	140.0
325.10723876953125	760.0
325.254638671875	144.0
325.9187316894531	176.0
326.0013732910156	160.0
326.1163635253906	4360.0
327.11871337890625	960.0
328.13494873046875	2004.0
328.26202392578125	168.0
328.7742919921875	156.0
329.13433837890625	364.0
329.86505126953125	144.0
332.1607971191406	152.0
333.1247863769531	156.0
334.155029296875	444.0
335.1372375488281	204.0
336.14544677734375	124.0
336.18475341796875	192.0
337.1331787109375	308.0
337.9862365722656	152.0
338.0777282714844	160.0
338.1186218261719	424.0
339.1181945800781	464.0
340.1260681152344	240.0
341.1286926269531	1340.0
342.1351623535156	1352.0
342.8665771484375	176.0
343.1430969238281	4268.0
344.1478576660156	964.0
345.1416931152344	224.0
345.1922607421875	168.0
345.73974609375	164.0
346.15264892578125	128.0
346.24334716796875	128.0
347.1315612792969	124.0
347.243896484375	208.0
349.1600036621094	112.0
350.1424255371094	136.0
351.0558166503906	140.0
351.1306457519531	120.0
351.1859436035156	148.0
352.1296081542969	220.0
352.48175048828125	148.0
353.1395263671875	324.0
354.1492614746094	712.0
354.3413391113281	164.0
355.1461486816406	480.0
355.3123474121094	144.0
356.15264892578125	1244.0
357.1587219238281	124.0
358.15423583984375	180.0
359.1983337402344	164.0
360.6445007324219	148.0
361.15924072265625	176.0
362.1545104980469	384.0
364.14007568359375	212.0
367.15234375	152.0
368.16546630859375	272.0
369.1617736816406	844.0
369.4169006347656	188.0
370.16119384765625	484.0
370.33172607421875	172.0
371.1556701660156	144.0
379.18560791015625	160.0
380.1699523925781	112.0
381.16375732421875	368.0
381.2890930175781	168.0
382.1675109863281	340.0
383.19580078125	172.0
386.7924499511719	176.0
388.1470947265625	180.0
390.3194274902344	172.0
390.79534912109375	208.0
395.1667175292969	424.0
395.6716003417969	108.0
395.94671630859375	164.0
396.1759338378906	268.0
396.2557067871094	156.0
396.3211669921875	176.0
396.5132751464844	156.0
396.8620910644531	160.0
397.10400390625	172.0
397.1918640136719	21712.0
397.3924560546875	124.0
397.47216796875	164.0
398.0910339355469	128.0
398.1258544921875	180.0
398.19464111328125	7776.0
398.3900451660156	152.0
399.1962585449219	984.0
400.20513916015625	148.0
401.0154113769531	96.0
402.92364501953125	140.0
405.1920471191406	156.0
407.7199401855469	160.0
408.761474609375	152.0
409.7559814453125	220.0
411.17535400390625	144.0
411.95465087890625	144.0
412.3708190917969	140.0
413.1188659667969	168.0
413.1866760253906	484.0
413.2675476074219	144.0
413.4858093261719	176.0
413.54913330078125	96.0
413.6513977050781	100.0
413.8852233886719	136.0
413.9545593261719	192.0
414.1190185546875	136.0
414.1949768066406	124.0
414.22265625	192.0
414.36346435546875	152.0
414.43463134765625	156.0
414.51568603515625	168.0
414.56573486328125	192.0
414.5923767089844	164.0
414.6522216796875	156.0
414.68096923828125	184.0
414.8685607910156	236.0
414.91595458984375	124.0
414.9501953125	148.0
415.0322570800781	308.0
415.1277770996094	236.0
415.2036437988281	134508.0
415.3206787109375	160.0
415.3958435058594	184.0
415.4618225097656	232.0
415.5072937011719	180.0
415.5975646972656	364.0
415.67193603515625	112.0
415.705810546875	160.0
415.7945861816406	132.0
415.8271179199219	140.0
415.8702087402344	924.0
416.00128173828125	152.0
416.12493896484375	152.0
416.20556640625	39916.0
416.344482421875	96.0
416.4078369140625	128.0
416.5030212402344	164.0
416.7864074707031	108.0
416.8544006347656	140.0
417.2071533203125	6000.0
417.2972412109375	136.0
417.4068908691406	108.0
417.6153259277344	124.0
417.6687927246094	152.0
417.9870910644531	124.0
418.1050720214844	108.0
418.2112121582031	812.0
418.3935852050781	160.0
418.44244384765625	184.0
418.5557556152344	120.0
418.674560546875	136.0
418.71673583984375	172.0
418.8005676269531	140.0
418.9505310058594	128.0
419.0016784667969	132.0
419.06475830078125	168.0
419.18060302734375	148.0
419.407470703125	96.0
419.808349609375	252.0
419.84295654296875	108.0
420.027099609375	140.0
420.46197509765625	176.0
423.98895263671875	132.0
446.628173828125	220.0
526.2782592773438	144.0
657.3726806640625	160.0
753.0021362304688	152.0
791.79638671875	168.0
881.0946044921875	144.0
1298.6884765625	140.0
1329.9598388671875	176.0
1336.7987060546875	208.0
1350.134033203125	172.0
1548.0428466796875	160.0
1649.7138671875	224.0
1676.392578125	188.0
1785.5838623046875	172.0
1955.76806640625	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079185
PEPMASS=384.171539
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Prazosin [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4ccco4
INCHI=InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
INCHIAUX=IENZQIKPVFGBNW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079185
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079185
SCANS=1030
45.98079299926758	156.0
46.16181945800781	144.0
46.32017135620117	184.0
47.333465576171875	140.0
47.45404052734375	148.0
47.48009490966797	260.0
47.60772705078125	192.0
47.64480972290039	204.0
47.764408111572266	144.0
47.893795013427734	168.0
47.93650436401367	184.0
48.0081901550293	188.0
48.29130935668945	248.0
48.30790710449219	140.0
48.705745697021484	196.0
50.63154983520508	140.0
50.68821334838867	172.0
50.73357009887695	172.0
52.685665130615234	196.0
52.909828186035156	208.0
52.99382781982422	168.0
53.44247817993164	168.0
53.64491653442383	144.0
53.74700927734375	148.0
53.99827194213867	160.0
54.04947280883789	160.0
54.15927505493164	144.0
54.19443130493164	152.0
54.30290985107422	140.0
54.34398651123047	140.0
54.370399475097656	152.0
54.419925689697266	168.0
55.315185546875	160.0
55.32851028442383	176.0
57.1300163269043	176.0
57.708980560302734	180.0
58.037540435791016	144.0
58.26064682006836	168.0
58.72162628173828	128.0
59.25535583496094	168.0
59.28293991088867	160.0
59.605186462402344	144.0
59.62670135498047	208.0
59.65283203125	152.0
59.67281723022461	172.0
59.70664596557617	140.0
59.915985107421875	144.0
60.0099983215332	188.0
60.08466339111328	196.0
60.52389907836914	172.0
60.91690444946289	152.0
61.87287139892578	160.0
62.13616180419922	152.0
62.407875061035156	176.0
63.17277908325195	204.0
63.39285659790039	208.0
63.67206573486328	176.0
64.97940826416016	160.0
65.96823120117188	208.0
66.70093536376953	208.0
66.81639099121094	152.0
67.31188201904297	212.0
67.43084716796875	156.0
67.4474868774414	256.0
67.78626251220703	172.0
67.92523956298828	276.0
67.9715576171875	160.0
68.15217590332031	228.0
68.42684936523438	140.0
68.48119354248047	212.0
68.62126159667969	192.0
68.6492919921875	168.0
68.70207214355469	236.0
69.186279296875	168.0
69.33370208740234	184.0
69.92494201660156	208.0
69.98819732666016	176.0
70.08480834960938	152.0
70.32828521728516	164.0
70.35832977294922	224.0
70.80310821533203	148.0
70.89356994628906	168.0
71.01092529296875	176.0
72.03093719482422	160.0
72.33531188964844	180.0
73.38180541992188	172.0
73.78643798828125	244.0
74.00714874267578	164.0
74.24876403808594	168.0
74.26077270507812	144.0
74.73490142822266	204.0
74.89155578613281	164.0
75.94070434570312	168.0
75.95631408691406	168.0
76.40972137451172	144.0
76.86622619628906	240.0
77.1034164428711	160.0
77.13518524169922	196.0
77.55352020263672	180.0
77.7657470703125	160.0
77.8429946899414	168.0
77.85528564453125	168.0
79.54322052001953	160.0
79.58050537109375	160.0
80.24236297607422	148.0
81.03590393066406	220.0
82.15235137939453	156.0
82.16858673095703	160.0
83.28369903564453	148.0
84.02094268798828	188.0
85.00714874267578	148.0
85.35248565673828	140.0
85.48308563232422	164.0
85.81095123291016	144.0
86.47411346435547	152.0
86.6685562133789	168.0
86.76679229736328	148.0
86.8279800415039	180.0
87.59002685546875	208.0
87.61424255371094	200.0
88.61376190185547	140.0
88.89314270019531	244.0
89.14665222167969	176.0
89.64910125732422	168.0
91.3452377319336	124.0
91.37027740478516	168.0
91.9228286743164	156.0
91.98771667480469	168.0
92.14431762695312	152.0
92.53064727783203	188.0
92.83365631103516	120.0
93.1751708984375	180.0
93.8718032836914	216.0
94.02841186523438	116.0
94.1014175415039	184.0
94.31391143798828	172.0
95.01383972167969	11324.0
95.04984283447266	144.0
95.22455596923828	152.0
96.01495361328125	380.0
96.87836456298828	160.0
96.94527435302734	176.0
97.02367401123047	152.0
97.27870178222656	156.0
97.63040161132812	160.0
98.03002166748047	176.0
98.21929168701172	184.0
98.27255249023438	180.0
98.62517547607422	148.0
98.80797576904297	140.0
99.10297393798828	164.0
99.25757598876953	156.0
99.36468505859375	176.0
99.73603057861328	164.0
99.99459838867188	140.0
100.4169692993164	168.0
100.87421417236328	144.0
101.10823059082031	160.0
101.13424682617188	188.0
101.22233581542969	248.0
101.4046401977539	196.0
102.16163635253906	212.0
102.58251190185547	144.0
103.04466247558594	168.0
103.11942291259766	160.0
103.53416442871094	188.0
103.79963684082031	160.0
104.38037872314453	216.0
104.95867156982422	176.0
105.03004455566406	176.0
106.19386291503906	164.0
106.21437072753906	160.0
106.67845153808594	144.0
107.33934783935547	228.0
108.19265747070312	216.0
108.25684356689453	196.0
108.55480194091797	168.0
108.58635711669922	184.0
108.99531555175781	144.0
109.41128540039062	144.0
109.86351013183594	160.0
110.45468139648438	180.0
110.77075958251953	176.0
111.44629669189453	140.0
111.56188201904297	152.0
111.60813903808594	152.0
112.03749084472656	140.0
112.08173370361328	156.0
112.29464721679688	200.0
112.43412780761719	108.0
112.5457763671875	220.0
112.68939971923828	156.0
113.6930923461914	228.0
113.83319854736328	152.0
114.35272216796875	148.0
115.03826904296875	144.0
115.0660171508789	144.0
115.26679229736328	140.0
116.59757995605469	176.0
116.71366119384766	152.0
116.73086547851562	192.0
118.52030944824219	156.0
118.70889282226562	152.0
118.82833099365234	188.0
119.0604476928711	152.0
119.16254425048828	204.0
119.82829284667969	208.0
119.93507385253906	156.0
119.9961166381836	144.0
120.04496765136719	1864.0
120.27316284179688	200.0
120.72257232666016	148.0
120.95294952392578	156.0
121.02969360351562	148.0
121.68514251708984	164.0
122.61341094970703	140.0
123.04354095458984	152.0
123.35053253173828	112.0
124.75381469726562	168.0
125.04297637939453	156.0
125.46173858642578	228.0
126.2052001953125	164.0
126.4781265258789	148.0
127.78868865966797	164.0
128.28639221191406	140.0
129.74679565429688	180.0
130.17108154296875	204.0
130.29827880859375	140.0
130.3755340576172	176.0
130.8167724609375	152.0
131.8088836669922	192.0
132.01597595214844	216.0
132.27085876464844	168.0
132.62130737304688	160.0
132.84832763671875	144.0
133.10537719726562	148.0
133.7675018310547	196.0
134.071533203125	192.0
135.56903076171875	148.0
136.07879638671875	204.0
136.77081298828125	124.0
137.0701904296875	140.0
137.3616180419922	152.0
137.41526794433594	144.0
137.86598205566406	168.0
137.91500854492188	212.0
138.02845764160156	176.0
138.05548095703125	34860.0
138.10791015625	96.0
138.2100830078125	116.0
138.43470764160156	332.0
138.78250122070312	100.0
139.05715942382812	2460.0
139.26673889160156	176.0
139.3609161376953	152.0
139.49722290039062	176.0
139.8762969970703	108.0
139.9563446044922	132.0
140.0611572265625	436.0
140.29054260253906	172.0
140.7435302734375	176.0
141.0659942626953	232.0
141.1097412109375	164.0
142.9027862548828	180.0
143.0265350341797	200.0
143.1741485595703	172.0
143.3456573486328	164.0
144.32672119140625	192.0
144.39845275878906	156.0
145.45269775390625	156.0
145.9163360595703	216.0
146.0221405029297	180.0
146.05975341796875	164.0
146.7497100830078	144.0
147.02919006347656	172.0
147.0509033203125	180.0
147.47357177734375	164.0
148.06735229492188	228.0
148.599609375	172.0
148.9832000732422	196.0
149.12200927734375	156.0
149.47918701171875	144.0
149.87608337402344	148.0
150.46632385253906	148.0
151.03814697265625	152.0
151.4199676513672	176.0
151.51060485839844	140.0
151.59390258789062	152.0
151.7091064453125	160.0
152.0700225830078	140.0
152.6666717529297	152.0
152.8797607421875	104.0
153.5088653564453	152.0
153.5902557373047	196.0
154.5760040283203	144.0
154.8161163330078	148.0
155.08120727539062	144.0
155.68408203125	252.0
156.19606018066406	184.0
156.42498779296875	140.0
156.7437744140625	172.0
156.78115844726562	168.0
157.11029052734375	144.0
157.2023468017578	176.0
157.85458374023438	204.0
157.90460205078125	148.0
158.0922393798828	152.0
158.3676300048828	224.0
158.77113342285156	168.0
159.0546417236328	168.0
159.9092254638672	216.0
159.9610137939453	160.0
160.06048583984375	140.0
160.45835876464844	200.0
160.77365112304688	180.0
160.96298217773438	148.0
161.04632568359375	192.0
161.07546997070312	152.0
161.54380798339844	184.0
161.680908203125	208.0
161.71380615234375	176.0
161.7821502685547	204.0
162.0927276611328	288.0
162.12176513671875	152.0
162.55726623535156	196.0
163.0529327392578	156.0
163.0887908935547	568.0
163.2664794921875	164.0
163.64308166503906	164.0
163.78941345214844	160.0
163.87229919433594	168.0
163.92518615722656	164.0
164.0430450439453	156.0
164.07144165039062	17636.0
164.12973022460938	224.0
164.6400909423828	144.0
165.07437133789062	2924.0
165.68624877929688	176.0
165.981201171875	100.0
166.07394409179688	296.0
166.4505615234375	232.0
167.2423858642578	164.0
167.63385009765625	140.0
167.82716369628906	192.0
168.0821990966797	160.0
168.61190795898438	152.0
168.79286193847656	152.0
170.44403076171875	148.0
170.87823486328125	144.0
170.94068908691406	192.0
171.52928161621094	148.0
172.82200622558594	184.0
173.08375549316406	168.0
173.15969848632812	156.0
173.345703125	164.0
173.3788604736328	152.0
174.09092712402344	280.0
174.52426147460938	220.0
175.06106567382812	156.0
175.0845947265625	128.0
175.30604553222656	232.0
175.87754821777344	128.0
176.0727081298828	220.0
176.45159912109375	260.0
176.6790313720703	184.0
176.81927490234375	208.0
177.00987243652344	156.0
177.07179260253906	540.0
177.20852661132812	152.0
177.51087951660156	120.0
177.5584259033203	140.0
177.7069854736328	172.0
178.06533813476562	168.0
178.08811950683594	180.0
178.34962463378906	196.0
178.5703125	152.0
178.9827880859375	184.0
179.08265686035156	284.0
179.40374755859375	176.0
179.43572998046875	260.0
179.8972625732422	176.0
180.0780792236328	264.0
180.53851318359375	172.0
180.89434814453125	156.0
181.0984344482422	616.0
181.4301300048828	144.0
182.35081481933594	148.0
182.6116180419922	148.0
183.05784606933594	128.0
183.5110321044922	156.0
183.55686950683594	168.0
184.04795837402344	160.0
184.4532012939453	192.0
184.79664611816406	148.0
184.8182830810547	196.0
184.86158752441406	172.0
185.0780487060547	256.0
185.1214599609375	192.0
185.67115783691406	128.0
186.0641632080078	124.0
186.0890350341797	536.0
187.0518341064453	148.0
187.6211700439453	212.0
188.04251098632812	344.0
188.20230102539062	184.0
188.3006134033203	176.0
188.7104949951172	176.0
189.07373046875	340.0
189.10714721679688	312.0
189.95655822753906	212.0
190.06500244140625	412.0
190.1092987060547	536.0
190.27490234375	176.0
190.7913818359375	200.0
191.08349609375	608.0
191.2122344970703	160.0
191.69140625	160.0
192.07518005371094	120.0
192.14910888671875	180.0
192.67642211914062	144.0
192.70957946777344	192.0
192.8809051513672	140.0
192.96937561035156	184.0
194.2183074951172	180.0
194.90524291992188	120.0
194.98460388183594	160.0
196.10899353027344	252.0
196.12991333007812	192.0
196.27899169921875	180.0
196.81199645996094	168.0
197.0773468017578	204.0
197.6137237548828	200.0
198.15731811523438	168.0
198.2413787841797	196.0
198.40675354003906	160.0
199.30206298828125	148.0
199.33578491210938	180.0
199.61688232421875	148.0
199.9263153076172	144.0
200.07550048828125	192.0
200.92941284179688	140.0
201.07850646972656	308.0
201.17776489257812	140.0
201.604248046875	144.0
201.7257843017578	156.0
201.80776977539062	180.0
202.08248901367188	836.0
202.133056640625	148.0
203.0930938720703	4292.0
203.2589569091797	180.0
203.4793701171875	168.0
203.51344299316406	140.0
204.07638549804688	3320.0
204.44149780273438	140.0
204.52865600585938	144.0
204.70484924316406	156.0
204.7549285888672	128.0
204.84829711914062	148.0
204.90785217285156	184.0
205.07456970214844	2328.0
205.13644409179688	464.0
205.33750915527344	144.0
205.3745880126953	192.0
205.47972106933594	140.0
205.5999755859375	148.0
205.6199493408203	144.0
206.08018493652344	784.0
206.47084045410156	140.0
207.06094360351562	140.0
207.08872985839844	180.0
207.1782989501953	260.0
207.47634887695312	152.0
207.53082275390625	152.0
207.783203125	164.0
208.0587158203125	140.0
208.49818420410156	176.0
208.69940185546875	144.0
209.17408752441406	160.0
209.43008422851562	128.0
209.57151794433594	216.0
209.59744262695312	152.0
210.1885528564453	164.0
210.5997314453125	144.0
210.77899169921875	168.0
211.70907592773438	168.0
212.0683135986328	288.0
212.33621215820312	160.0
213.79052734375	180.0
214.05941772460938	348.0
214.08421325683594	400.0
215.0931854248047	456.0
215.1925811767578	224.0
215.27725219726562	144.0
216.096923828125	236.0
216.8970489501953	180.0
217.01242065429688	176.0
217.0712432861328	2936.0
217.109130859375	276.0
217.3790740966797	276.0
218.028076171875	260.0
218.08006286621094	912.0
218.16305541992188	104.0
218.38674926757812	196.0
218.6636962890625	124.0
219.08807373046875	996.0
219.15834045410156	152.0
219.3904571533203	144.0
219.67691040039062	216.0
220.0951690673828	2952.0
220.65145874023438	208.0
221.1031036376953	7392.0
221.29051208496094	168.0
221.44790649414062	312.0
222.08834838867188	2164.0
222.13807678222656	196.0
222.72283935546875	160.0
223.08705139160156	424.0
223.2459259033203	244.0
223.29647827148438	148.0
223.36190795898438	196.0
223.72496032714844	140.0
223.7725830078125	152.0
223.83511352539062	172.0
224.1017608642578	208.0
224.71141052246094	152.0
225.0725555419922	164.0
225.23382568359375	196.0
225.4280242919922	260.0
225.72686767578125	140.0
227.0085906982422	140.0
227.0595703125	176.0
227.09886169433594	348.0
227.49765014648438	188.0
228.09359741210938	196.0
228.31190490722656	184.0
228.40213012695312	148.0
228.7361297607422	204.0
229.07009887695312	712.0
229.1083984375	1048.0
229.18988037109375	132.0
229.39581298828125	168.0
229.7894287109375	116.0
229.82708740234375	156.0
230.0887451171875	640.0
230.1719970703125	148.0
230.5638885498047	144.0
231.05477905273438	280.0
231.08848571777344	25772.0
231.45790100097656	116.0
231.88038635253906	196.0
231.9666290283203	132.0
232.09559631347656	18916.0
232.3840789794922	144.0
233.05172729492188	172.0
233.1027374267578	8056.0
233.16314697265625	160.0
233.25230407714844	260.0
233.3811798095703	112.0
233.55819702148438	120.0
233.73150634765625	204.0
233.75411987304688	172.0
234.1064453125	1628.0
234.38442993164062	156.0
234.41490173339844	140.0
235.11236572265625	208.0
235.2811279296875	228.0
235.566162109375	148.0
236.01132202148438	172.0
237.01528930664062	140.0
237.07284545898438	112.0
237.08216857910156	304.0
237.38925170898438	196.0
238.65126037597656	196.0
238.9988250732422	248.0
239.0972900390625	248.0
239.2373809814453	180.0
240.07078552246094	168.0
240.28977966308594	168.0
240.74969482421875	232.0
241.09042358398438	176.0
241.50997924804688	144.0
241.7048797607422	152.0
241.95248413085938	164.0
242.07943725585938	244.0
242.3086395263672	200.0
243.0859832763672	292.0
243.72344970703125	160.0
243.82598876953125	188.0
244.08351135253906	272.0
244.119873046875	496.0
244.84642028808594	140.0
245.10400390625	5352.0
245.45721435546875	160.0
245.74417114257812	168.0
245.7909698486328	168.0
245.89706420898438	176.0
246.10806274414062	1732.0
246.6435546875	192.0
246.66856384277344	160.0
246.70803833007812	108.0
246.77923583984375	168.0
246.80450439453125	140.0
246.87896728515625	176.0
246.9918975830078	296.0
247.03379821777344	148.0
247.08448791503906	1112.0
247.11996459960938	142620.0
247.2062530517578	124.0
247.3328399658203	184.0
247.39498901367188	104.0
247.42752075195312	156.0
247.55215454101562	108.0
247.5970001220703	132.0
247.63328552246094	300.0
247.67758178710938	188.0
247.8339080810547	152.0
247.9028778076172	116.0
247.9732208251953	120.0
248.1224822998047	15436.0
248.21719360351562	116.0
248.30276489257812	128.0
248.33099365234375	124.0
248.42344665527344	136.0
248.45281982421875	176.0
248.5125274658203	184.0
248.53823852539062	164.0
248.5879364013672	236.0
248.61354064941406	184.0
248.65650939941406	152.0
248.83168029785156	168.0
249.0707244873047	124.0
249.12472534179688	1808.0
249.20701599121094	148.0
249.50509643554688	136.0
249.6210479736328	148.0
249.66712951660156	144.0
249.72093200683594	128.0
249.7847137451172	116.0
249.85186767578125	172.0
249.93112182617188	280.0
250.11309814453125	160.0
250.15362548828125	192.0
250.57525634765625	104.0
250.71568298339844	116.0
250.7899169921875	156.0
251.0894317626953	184.0
251.190185546875	152.0
251.51536560058594	176.0
251.80584716796875	200.0
252.09458923339844	180.0
252.31631469726562	124.0
252.56756591796875	184.0
252.6181640625	208.0
253.68017578125	136.0
253.95997619628906	184.0
254.0944366455078	140.0
254.12393188476562	148.0
254.59596252441406	156.0
254.7007598876953	144.0
255.08387756347656	636.0
256.0839538574219	188.0
256.10369873046875	300.0
256.1289367675781	192.0
256.5718994140625	140.0
256.72174072265625	224.0
256.8374938964844	156.0
257.1047058105469	2972.0
258.050048828125	140.0
258.1066589355469	1672.0
258.67388916015625	204.0
258.750732421875	144.0
259.11822509765625	1536.0
259.2247619628906	148.0
259.4864196777344	184.0
259.57415771484375	172.0
259.9559020996094	200.0
260.05621337890625	136.0
260.1146240234375	2004.0
260.7555236816406	156.0
261.0287780761719	180.0
261.1357727050781	584.0
262.0751647949219	180.0
263.41632080078125	204.0
263.7142333984375	176.0
264.07958984375	140.0
264.4031066894531	144.0
264.9632873535156	148.0
265.35870361328125	148.0
266.1016540527344	148.0
266.13739013671875	160.0
267.5614013671875	140.0
268.1038513183594	172.0
268.8978576660156	160.0
269.10113525390625	236.0
269.2210693359375	148.0
270.0813903808594	136.0
270.5780029296875	140.0
270.7122497558594	144.0
270.9382629394531	196.0
271.11492919921875	876.0
271.4541320800781	204.0
271.660400390625	156.0
272.1162414550781	1168.0
272.1517639160156	140.0
272.5918884277344	152.0
272.83184814453125	160.0
272.9699401855469	224.0
273.0587158203125	144.0
273.1335754394531	3600.0
273.6822509765625	116.0
274.09429931640625	552.0
274.13018798828125	2604.0
274.20831298828125	208.0
274.4427490234375	148.0
274.5934753417969	156.0
274.6858215332031	140.0
274.8804626464844	148.0
275.0982971191406	148.0
275.13397216796875	712.0
275.3276672363281	180.0
275.4747619628906	188.0
275.59698486328125	140.0
275.7886657714844	140.0
276.0809020996094	152.0
277.1885681152344	204.0
278.1934814453125	184.0
279.0871887207031	144.0
281.269287109375	180.0
281.57501220703125	252.0
282.318359375	156.0
283.0344543457031	148.0
283.0880432128906	156.0
283.1307678222656	184.0
283.345947265625	184.0
283.4732666015625	152.0
284.08905029296875	140.0
284.6372375488281	168.0
285.1195068359375	172.0
285.3125915527344	140.0
285.389892578125	140.0
285.94158935546875	140.0
286.0910949707031	328.0
286.12567138671875	168.0
286.96563720703125	160.0
287.135498046875	1416.0
287.3265075683594	220.0
287.4344482421875	156.0
288.0985412597656	180.0
288.14599609375	7692.0
288.2313537597656	152.0
288.3158264160156	152.0
289.10650634765625	220.0
289.1482849121094	1256.0
289.69805908203125	140.0
289.8691101074219	144.0
290.10296630859375	260.0
290.1568908691406	336.0
290.61505126953125	140.0
291.1302490234375	160.0
291.22271728515625	152.0
292.02685546875	152.0
292.10986328125	164.0
292.48077392578125	160.0
293.12359619140625	376.0
293.69036865234375	240.0
294.0827331542969	200.0
294.1333312988281	188.0
294.2738952636719	152.0
294.31146240234375	164.0
294.4685363769531	160.0
294.6700744628906	200.0
295.12921142578125	144.0
295.7130432128906	140.0
296.0930480957031	152.0
296.2917175292969	192.0
297.1006164550781	628.0
297.17626953125	184.0
297.397216796875	124.0
297.7117614746094	172.0
297.97967529296875	144.0
298.0858459472656	248.0
298.63623046875	152.0
298.9424133300781	144.0
299.0765075683594	456.0
299.12225341796875	96.0
299.5862731933594	140.0
300.1099853515625	1260.0
301.1148681640625	1092.0
301.3457336425781	232.0
301.9748840332031	220.0
302.120361328125	408.0
302.4313049316406	128.0
302.982177734375	156.0
304.3301696777344	172.0
305.2729797363281	140.0
306.1290283203125	168.0
306.8653564453125	208.0
307.08392333984375	284.0
307.1955261230469	148.0
307.5968322753906	208.0
307.8621826171875	176.0
308.1106872558594	244.0
308.8057861328125	148.0
309.0992126464844	188.0
309.12298583984375	172.0
309.36572265625	140.0
309.6201477050781	108.0
310.1175537109375	192.0
310.2168884277344	228.0
311.0775146484375	164.0
311.13238525390625	152.0
311.5047302246094	144.0
312.0927734375	160.0
312.13031005859375	156.0
313.0727844238281	116.0
313.12786865234375	180.0
313.6370849609375	156.0
313.95086669921875	184.0
314.13446044921875	132.0
314.3071594238281	148.0
315.10968017578125	3116.0
315.5645446777344	184.0
316.1412353515625	4140.0
316.1906433105469	208.0
316.2756652832031	180.0
316.8232421875	140.0
317.140869140625	1032.0
317.278076171875	180.0
317.3489990234375	188.0
318.1476135253906	116.0
318.81854248046875	160.0
319.0460205078125	160.0
319.0982360839844	124.0
321.1244812011719	348.0
321.7392883300781	140.0
321.82525634765625	144.0
322.1307067871094	2412.0
322.2821350097656	184.0
322.35638427734375	160.0
322.80401611328125	160.0
322.9935607910156	152.0
323.0828552246094	212.0
323.1354675292969	684.0
323.59478759765625	148.0
324.0976867675781	196.0
324.1376647949219	280.0
324.4151611328125	152.0
325.0925598144531	2376.0
325.21148681640625	176.0
326.098388671875	1920.0
326.90704345703125	132.0
327.0975646972656	612.0
327.51263427734375	168.0
328.40289306640625	140.0
329.12103271484375	168.0
329.76043701171875	160.0
330.02435302734375	220.0
330.6175842285156	160.0
331.15338134765625	200.0
331.1815185546875	204.0
331.416015625	96.0
331.519287109375	224.0
331.8056335449219	140.0
332.2952575683594	148.0
332.6036071777344	136.0
333.8062438964844	168.0
334.1287841796875	148.0
334.7195739746094	168.0
335.003662109375	164.0
335.62689208984375	156.0
336.1142272949219	796.0
337.1448669433594	104.0
337.1659240722656	224.0
337.22216796875	172.0
337.2806701660156	148.0
337.353759765625	148.0
337.9242858886719	180.0
337.94989013671875	152.0
338.16058349609375	868.0
339.1329040527344	720.0
339.16571044921875	236.0
340.0570983886719	144.0
340.1399230957031	3024.0
340.76361083984375	148.0
341.0728454589844	96.0
341.1256103515625	7752.0
341.2493896484375	104.0
341.3929443359375	136.0
341.4530944824219	196.0
342.12664794921875	1752.0
342.9451904296875	140.0
343.0863342285156	100.0
343.12933349609375	560.0
343.2649230957031	216.0
344.7230224609375	164.0
345.0113220214844	168.0
345.8880310058594	144.0
346.63616943359375	152.0
346.8807678222656	156.0
347.6893310546875	224.0
347.8155212402344	148.0
348.0531311035156	148.0
348.1471252441406	100.0
348.8481750488281	168.0
348.89794921875	184.0
348.9374084472656	212.0
349.1631164550781	128.0
349.6962585449219	176.0
349.8883056640625	168.0
350.0387268066406	180.0
350.1250305175781	7576.0
351.130859375	3884.0
351.4936828613281	148.0
352.0232849121094	128.0
352.1324462890625	1008.0
352.6651306152344	168.0
352.6912841796875	140.0
353.13623046875	184.0
353.16241455078125	280.0
353.4366149902344	132.0
353.495361328125	220.0
353.5675354003906	168.0
353.6151123046875	172.0
353.8584289550781	172.0
354.1184387207031	1180.0
354.8403015136719	156.0
354.9037780761719	140.0
355.1277160644531	812.0
355.5076904296875	172.0
356.1225891113281	220.0
356.4539794921875	188.0
356.6438903808594	128.0
357.1485595703125	128.0
357.73651123046875	164.0
357.838134765625	196.0
358.3662414550781	216.0
358.67822265625	168.0
360.8597717285156	152.0
362.103271484375	160.0
362.23016357421875	140.0
362.52191162109375	212.0
362.5484313964844	164.0
363.114013671875	152.0
363.1701965332031	160.0
363.4205627441406	156.0
363.4547119140625	148.0
363.5343933105469	164.0
364.5521240234375	168.0
365.01617431640625	148.0
365.1470642089844	152.0
365.6397399902344	180.0
365.9747314453125	152.0
366.15716552734375	25528.0
366.30596923828125	160.0
366.34173583984375	140.0
366.4389953613281	212.0
367.0021667480469	116.0
367.0454406738281	148.0
367.16009521484375	6180.0
367.2252502441406	156.0
367.5941467285156	136.0
367.7752990722656	116.0
367.84527587890625	132.0
367.9885559082031	196.0
368.08331298828125	176.0
368.1357421875	28248.0
368.2975769042969	152.0
368.51702880859375	124.0
368.8221435546875	144.0
368.8741760253906	168.0
368.9009094238281	144.0
369.051513671875	212.0
369.1413879394531	10928.0
369.2469482421875	120.0
369.29803466796875	108.0
369.4781188964844	120.0
369.64288330078125	152.0
369.8319396972656	152.0
370.1458435058594	2128.0
370.22857666015625	264.0
370.5771484375	148.0
370.7525634765625	160.0
371.0188293457031	120.0
371.1531982421875	444.0
372.59344482421875	96.0
372.8955078125	132.0
373.3123474121094	124.0
374.50909423828125	112.0
375.6132507324219	156.0
375.9026184082031	152.0
375.9913635253906	180.0
376.17486572265625	96.0
377.0727233886719	276.0
377.4051818847656	160.0
377.856201171875	144.0
378.0434265136719	200.0
378.2601623535156	180.0
378.3453369140625	240.0
378.4983825683594	112.0
378.80615234375	164.0
379.1451721191406	128.0
379.2610778808594	200.0
379.60455322265625	188.0
379.8294982910156	180.0
380.38714599609375	124.0
380.5074462890625	276.0
380.7313232421875	156.0
381.01104736328125	160.0
381.0921325683594	132.0
381.1508483886719	216.0
381.3515319824219	144.0
381.38873291015625	140.0
381.4875793457031	256.0
381.6884765625	108.0
381.72027587890625	124.0
381.8336486816406	232.0
381.8755798339844	220.0
381.94390869140625	104.0
382.1092529296875	220.0
382.15081787109375	776.0
382.2754211425781	192.0
382.4226989746094	248.0
382.4736633300781	136.0
382.61859130859375	136.0
382.6557922363281	160.0
382.70635986328125	204.0
382.734130859375	304.0
382.81500244140625	176.0
382.86328125	120.0
382.95208740234375	96.0
383.0249938964844	192.0
383.0970764160156	276.0
383.1571350097656	360.0
383.2292785644531	232.0
383.3162841796875	116.0
383.36102294921875	148.0
383.4402770996094	140.0
383.4806823730469	136.0
383.59442138671875	208.0
383.65106201171875	120.0
383.68756103515625	312.0
383.7388000488281	172.0
383.8509521484375	240.0
383.8954162597656	296.0
383.9613952636719	384.0
384.0155944824219	244.0
384.04022216796875	576.0
384.1171569824219	828.0
384.1697692871094	304268.0
384.2720642089844	212.0
384.3127746582031	236.0
384.3674621582031	240.0
384.43359375	356.0
384.4930419921875	352.0
384.53204345703125	544.0
384.60638427734375	392.0
384.6943359375	432.0
384.7383728027344	264.0
384.76708984375	280.0
384.8119812011719	9692.0
384.8749694824219	504.0
384.9320373535156	364.0
385.03265380859375	140.0
385.0818786621094	288.0
385.10723876953125	304.0
385.1713562011719	145996.0
385.2940673828125	212.0
385.3778076171875	148.0
385.4470520019531	236.0
385.4754638671875	420.0
385.52044677734375	156.0
385.5313720703125	188.0
385.59735107421875	224.0
385.6328125	196.0
385.7508239746094	240.0
385.8152160644531	596.0
385.9276428222656	384.0
386.038818359375	216.0
386.0997314453125	116.0
386.172607421875	17620.0
386.254150390625	100.0
386.28338623046875	312.0
386.3180236816406	104.0
386.37261962890625	160.0
386.4093017578125	232.0
386.4835510253906	124.0
386.51641845703125	144.0
386.6448974609375	180.0
386.72705078125	164.0
386.7950134277344	136.0
386.9036865234375	180.0
386.9407043457031	172.0
386.998291015625	136.0
387.0550231933594	152.0
387.0990905761719	172.0
387.1754455566406	1972.0
387.265625	148.0
387.3089599609375	300.0
387.35382080078125	180.0
387.389404296875	248.0
387.4503479003906	336.0
387.4943542480469	388.0
387.5543518066406	356.0
387.6295166015625	300.0
387.66534423828125	180.0
387.6943054199219	320.0
387.732666015625	312.0
387.811279296875	228.0
387.893798828125	124.0
387.9291687011719	212.0
387.9939270019531	212.0
388.07940673828125	144.0
388.1340637207031	132.0
388.2362976074219	1632.0
388.311767578125	132.0
388.47613525390625	100.0
388.53656005859375	120.0
388.5891418457031	160.0
388.6534118652344	220.0
388.7112121582031	172.0
389.30938720703125	108.0
389.48193359375	112.0
389.53759765625	184.0
391.4332580566406	144.0
391.60736083984375	96.0
392.1799011230469	100.0
392.4104309082031	172.0
392.7323303222656	132.0
394.23931884765625	100.0
396.6403503417969	128.0
396.730224609375	108.0
398.2575378417969	176.0
399.4732971191406	124.0
401.9792785644531	136.0
402.7840881347656	144.0
403.2196044921875	140.0
408.8945617675781	208.0
413.1960144042969	196.0
496.0565490722656	144.0
537.71826171875	160.0
572.47509765625	164.0
591.749267578125	96.0
616.4221801757812	152.0
625.299072265625	152.0
627.8718872070312	116.0
641.2963256835938	156.0
644.1429443359375	108.0
896.0636596679688	144.0
938.8936157226562	156.0
979.2013549804688	148.0
1188.2003173828125	176.0
1246.92138671875	216.0
1263.937744140625	172.0
1273.479736328125	164.0
1282.9150390625	176.0
1301.6461181640625	240.0
1305.5120849609375	176.0
1320.8310546875	160.0
1356.5782470703125	252.0
1358.79296875	160.0
1365.3597412109375	152.0
1378.917724609375	172.0
1393.671875	144.0
1400.3446044921875	172.0
1431.1678466796875	148.0
1431.6649169921875	140.0
1434.26416015625	248.0
1442.1365966796875	140.0
1450.144287109375	248.0
1457.1787109375	216.0
1462.95849609375	152.0
1473.2305908203125	204.0
1476.3720703125	248.0
1502.2947998046875	196.0
1505.9844970703125	140.0
1516.3597412109375	200.0
1522.0770263671875	144.0
1531.4169921875	144.0
1533.7467041015625	248.0
1539.0047607421875	188.0
1556.465576171875	208.0
1573.1329345703125	152.0
1574.9964599609375	188.0
1583.3643798828125	180.0
1590.0396728515625	204.0
1609.3834228515625	148.0
1624.9908447265625	276.0
1658.4085693359375	160.0
1680.601318359375	148.0
1685.1163330078125	208.0
1686.67724609375	168.0
1693.861572265625	188.0
1695.4346923828125	152.0
1705.6282958984375	156.0
1714.4512939453125	140.0
1720.5963134765625	188.0
1723.2886962890625	200.0
1732.695556640625	192.0
1741.6048583984375	144.0
1749.562744140625	164.0
1753.5693359375	184.0
1754.0943603515625	236.0
1757.4052734375	212.0
1776.3206787109375	164.0
1784.3489990234375	220.0
1790.4073486328125	216.0
1797.2183837890625	172.0
1800.6119384765625	268.0
1817.415283203125	152.0
1841.1650390625	140.0
1846.095947265625	140.0
1857.3154296875	160.0
1860.739501953125	172.0
1864.329833984375	208.0
1893.6280517578125	208.0
1894.9361572265625	164.0
1906.5113525390625	176.0
1917.2415771484375	144.0
1918.62744140625	156.0
1927.7310791015625	172.0
1928.036865234375	192.0
1932.2252197265625	180.0
1936.0240478515625	140.0
1938.345458984375	156.0
1941.8082275390625	168.0
1945.0897216796875	148.0
1950.7115478515625	144.0
1966.6812744140625	184.0
1968.3321533203125	164.0
1982.0692138671875	172.0
1983.45166015625	192.0
1989.5548095703125	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079186
PEPMASS=319.181091
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=LY 171883 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCc1c(O)c(ccc1OCCCCc2nn[nH]n2)C(=O)C
INCHI=InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
INCHIAUX=MWYHLEQJTQJHSS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079186
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079186
SCANS=1553
46.06047821044922	188.0
46.301231384277344	156.0
48.62940216064453	248.0
48.812782287597656	200.0
51.24808120727539	216.0
52.51680374145508	260.0
53.79081726074219	192.0
54.65256881713867	236.0
56.420528411865234	164.0
56.57761001586914	184.0
56.85490798950195	164.0
61.333961486816406	216.0
62.35948944091797	200.0
66.32276153564453	156.0
67.26620483398438	152.0
67.66181945800781	160.0
71.26612854003906	216.0
71.63456726074219	176.0
72.6352767944336	192.0
73.89422607421875	156.0
75.39884185791016	148.0
79.17801666259766	156.0
79.568115234375	148.0
81.61029815673828	184.0
82.96437072753906	220.0
83.85869598388672	144.0
84.06659698486328	140.0
85.5309829711914	152.0
85.71514892578125	156.0
88.2694091796875	184.0
91.24099731445312	252.0
91.8580093383789	140.0
93.06753540039062	180.0
94.26951599121094	164.0
94.29850006103516	144.0
94.49187469482422	152.0
94.91217041015625	188.0
95.04600524902344	164.0
95.06346893310547	168.0
95.73998260498047	164.0
97.0763931274414	404.0
97.50856018066406	172.0
98.3416748046875	204.0
99.09361267089844	192.0
99.4520492553711	180.0
100.54071807861328	168.0
101.12629699707031	176.0
103.05481719970703	236.0
106.0667953491211	188.0
107.04659271240234	356.0
107.24662780761719	232.0
109.06279754638672	144.0
109.51545715332031	176.0
110.13911437988281	164.0
110.52168273925781	168.0
110.95732879638672	184.0
111.04390716552734	700.0
111.0810546875	320.0
111.45265197753906	160.0
111.74700927734375	144.0
112.67255401611328	176.0
115.38868713378906	188.0
116.76103210449219	148.0
119.05182647705078	156.0
120.170654296875	256.0
121.2092514038086	140.0
121.41311645507812	164.0
121.78622436523438	140.0
122.35135650634766	148.0
122.93928527832031	152.0
123.04422760009766	1336.0
123.1076431274414	180.0
124.04119873046875	160.0
124.24976348876953	188.0
124.5938720703125	156.0
124.74720764160156	200.0
124.94290924072266	160.0
125.0825424194336	35852.0
125.13699340820312	284.0
125.24358367919922	112.0
125.30682373046875	104.0
125.48186492919922	288.0
126.08482360839844	1268.0
126.10690307617188	172.0
126.37748718261719	140.0
126.84089660644531	112.0
126.88365173339844	212.0
128.06114196777344	288.0
128.38792419433594	160.0
128.80772399902344	200.0
129.0679473876953	140.0
131.0534210205078	528.0
131.08331298828125	148.0
132.0924530029297	148.0
132.61679077148438	176.0
133.03302001953125	132.0
133.06504821777344	148.0
134.5375213623047	216.0
134.7384490966797	236.0
135.04550170898438	360.0
135.0827178955078	196.0
137.0600128173828	1628.0
138.06471252441406	268.0
138.0857696533203	156.0
138.18869018554688	192.0
140.09738159179688	164.0
142.54856872558594	156.0
143.0504150390625	164.0
143.07183837890625	176.0
143.102783203125	152.0
144.07467651367188	180.0
144.4894256591797	188.0
145.2823944091797	180.0
145.47438049316406	184.0
146.07766723632812	160.0
147.0447235107422	1620.0
147.265869140625	148.0
148.04855346679688	300.0
148.08604431152344	148.0
148.30868530273438	144.0
149.00514221191406	140.0
149.06028747558594	1408.0
149.09408569335938	172.0
150.04190063476562	232.0
150.0651092529297	540.0
150.0911407470703	144.0
151.0760040283203	1016.0
152.02557373046875	180.0
152.05258178710938	148.0
152.07960510253906	500.0
152.29318237304688	164.0
153.05490112304688	524.0
153.09072875976562	3336.0
153.1502685546875	172.0
153.2180938720703	140.0
153.60513305664062	160.0
154.09251403808594	416.0
156.04318237304688	236.0
156.0755615234375	136.0
157.0537872314453	188.0
157.08822631835938	128.0
158.06092834472656	176.0
159.04348754882812	188.0
159.079833984375	148.0
159.308349609375	152.0
160.04776000976562	124.0
161.0607147216797	1752.0
161.08856201171875	192.0
162.0572509765625	304.0
162.22808837890625	144.0
162.94883728027344	168.0
163.07473754882812	528.0
164.07882690429688	148.0
165.05377197265625	1776.0
165.09097290039062	3616.0
165.135986328125	224.0
165.3263702392578	172.0
165.80419921875	156.0
165.8375244140625	156.0
166.05931091308594	532.0
166.09378051757812	144.0
167.07521057128906	244.0
167.0941925048828	112.0
167.2759246826172	144.0
168.10325622558594	144.0
168.1316375732422	172.0
171.07872009277344	308.0
172.03985595703125	1192.0
172.0632781982422	284.0
172.08941650390625	320.0
173.04994201660156	160.0
173.059326171875	252.0
173.47421264648438	144.0
174.0603790283203	736.0
174.09603881835938	160.0
175.07589721679688	808.0
176.0743408203125	164.0
177.05435180664062	476.0
177.091796875	2004.0
177.1317901611328	192.0
177.5585174560547	176.0
178.06423950195312	116.0
178.092529296875	176.0
178.57571411132812	144.0
178.96157836914062	172.0
179.071044921875	2324.0
179.1066436767578	312.0
180.07350158691406	280.0
183.07859802246094	172.0
184.0426483154297	96.0
184.08045959472656	144.0
184.6719970703125	176.0
185.05877685546875	152.0
185.09169006347656	144.0
186.05593872070312	1212.0
186.0845947265625	164.0
187.06002807617188	148.0
187.70033264160156	164.0
187.9703826904297	164.0
188.0711669921875	164.0
189.0552520751953	168.0
189.09103393554688	1816.0
189.64955139160156	180.0
190.05027770996094	1236.0
190.09100341796875	428.0
191.06883239746094	800.0
191.1076202392578	712.0
192.07562255859375	284.0
192.09805297851562	220.0
192.15748596191406	192.0
193.08743286132812	2360.0
194.090576171875	640.0
195.10232543945312	19780.0
195.15536499023438	152.0
195.85757446289062	232.0
196.10548400878906	2084.0
196.42666625976562	184.0
197.10618591308594	444.0
197.55271911621094	140.0
199.06031799316406	160.0
199.92361450195312	140.0
200.07325744628906	308.0
201.3896484375	176.0
202.0854949951172	940.0
203.0836639404297	140.0
204.06686401367188	1836.0
204.09983825683594	164.0
204.13014221191406	176.0
204.4345245361328	192.0
205.0734405517578	156.0
205.1220703125	208.0
206.116943359375	196.0
207.0458221435547	180.0
207.1017608642578	4472.0
207.138916015625	9164.0
207.91818237304688	164.0
208.10586547851562	1080.0
208.13925170898438	1508.0
208.28196716308594	172.0
209.1064910888672	360.0
213.7644500732422	152.0
214.08706665039062	1140.0
215.0860137939453	196.0
215.1094970703125	392.0
216.41775512695312	156.0
217.11468505859375	168.0
218.08169555664062	564.0
219.07565307617188	156.0
220.09713745117188	1860.0
220.21127319335938	160.0
221.103515625	264.0
222.75265502929688	148.0
230.08328247070312	312.0
230.12303161621094	328.0
230.9268035888672	144.0
231.10157775878906	812.0
231.12228393554688	588.0
232.09585571289062	1408.0
232.1333465576172	1596.0
232.22613525390625	164.0
233.11900329589844	776.0
234.1170654296875	288.0
235.11830139160156	188.0
238.10894775390625	140.0
238.47616577148438	216.0
244.99917602539062	140.0
245.10336303710938	136.0
246.1087646484375	520.0
246.15318298339844	156.0
246.4530487060547	248.0
247.1300506591797	304.0
248.1116180419922	120.0
248.14993286132812	156.0
249.15087890625	2396.0
250.10025024414062	148.0
250.12535095214844	148.0
250.15248107910156	192.0
250.51904296875	160.0
256.1386413574219	160.0
257.119873046875	844.0
259.11248779296875	228.0
261.1524963378906	132.0
267.7503967285156	144.0
272.3587951660156	180.0
272.8188171386719	160.0
273.1637268066406	132.0
273.95086669921875	140.0
274.1438903808594	3028.0
275.14764404296875	560.0
276.0410461425781	136.0
276.1558837890625	380.0
276.5495300292969	164.0
276.8282165527344	140.0
277.16644287109375	21516.0
277.8829650878906	188.0
278.1684265136719	2408.0
279.16845703125	616.0
279.8958740234375	144.0
289.0362548828125	160.0
291.17022705078125	580.0
302.14453125	184.0
318.168701171875	172.0
319.17755126953125	5884.0
319.2191162109375	332.0
319.6792907714844	144.0
320.17962646484375	1172.0
320.2587890625	164.0
321.17828369140625	360.0
1178.0621337890625	236.0
1300.7421875	172.0
1464.086181640625	232.0
1469.1090087890625	180.0
1491.0692138671875	152.0
1556.6470947265625	204.0
1575.044677734375	160.0
1575.98583984375	148.0
1677.4296875	196.0
1682.4874267578125	168.0
1688.1416015625	168.0
1716.5706787109375	176.0
1754.4371337890625	160.0
1766.03564453125	144.0
1787.38623046875	268.0
1793.1463623046875	148.0
1795.169677734375	204.0
1798.8228759765625	148.0
1809.7794189453125	152.0
1813.8458251953125	172.0
1820.0474853515625	200.0
1838.937744140625	192.0
1862.09716796875	144.0
1883.1983642578125	148.0
1894.8677978515625	156.0
1895.405029296875	156.0
1904.6878662109375	188.0
1905.6695556640625	200.0
1915.7613525390625	184.0
1932.208740234375	164.0
1943.0986328125	192.0
1947.0399169921875	152.0
1958.2532958984375	168.0
1990.8876953125	204.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079187
PEPMASS=297.061127
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TETRAETHYLTHIURAM DISULFIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCN(CC)C(=S)SSC(=S)N(CC)CC
INCHI=InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
INCHIAUX=AUZONCFQVSMFAP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079187
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079187
SCANS=2471
45.086326599121094	160.0
45.95244216918945	196.0
50.053955078125	160.0
50.851287841796875	144.0
51.450565338134766	160.0
55.359588623046875	156.0
56.11293411254883	212.0
57.449195861816406	144.0
63.98688888549805	204.0
65.19776916503906	216.0
67.2171859741211	196.0
69.18626403808594	168.0
70.59557342529297	196.0
70.76457214355469	148.0
71.84860229492188	164.0
78.65283203125	184.0
81.0681381225586	228.0
85.74088287353516	164.0
87.59186553955078	184.0
88.01856231689453	140.0
90.4177017211914	168.0
91.01483154296875	140.0
91.97051239013672	196.0
100.24150848388672	168.0
104.05119323730469	192.0
106.9458236694336	156.0
111.48828125	152.0
114.03938293457031	116.0
114.58824920654297	184.0
115.947265625	148.0
116.0103530883789	148.0
116.05390167236328	17436.0
117.05553436279297	1156.0
118.05068969726562	788.0
131.0718231201172	188.0
135.05050659179688	184.0
140.1585235595703	164.0
147.44935607910156	144.0
147.8992156982422	160.0
148.02500915527344	16828.0
148.064208984375	256.0
148.0865478515625	120.0
148.83985900878906	156.0
149.02589416503906	1172.0
150.02145385742188	992.0
150.46383666992188	148.0
151.02342224121094	204.0
188.12579345703125	164.0
190.02508544921875	168.0
212.99383544921875	164.0
222.19140625	208.0
223.97317504882812	324.0
242.02362060546875	144.0
261.2120361328125	172.0
295.15191650390625	140.0
297.06085205078125	252.0
298.05859375	144.0
298.1994934082031	188.0
299.0627746582031	160.0
1478.8580322265625	212.0
1595.6551513671875	204.0
1611.068115234375	188.0
1612.8341064453125	164.0
1613.8013916015625	236.0
1642.447021484375	152.0
1658.2216796875	152.0
1699.5670166015625	180.0
1727.454833984375	160.0
1754.485595703125	252.0
1762.021728515625	140.0
1770.99755859375	244.0
1773.578125	140.0
1815.701171875	152.0
1817.96630859375	216.0
1870.37548828125	188.0
1874.044189453125	236.0
1879.890380859375	180.0
1890.7965087890625	176.0
1894.779541015625	140.0
1966.380615234375	192.0
1982.848388671875	200.0
2000.4619140625	216.0
2000.942626953125	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079188
PEPMASS=319.045593
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TETRAETHYLTHIURAM DISULFIDE [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCN(CC)C(=S)SSC(=S)N(CC)CC
INCHI=InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
INCHIAUX=AUZONCFQVSMFAP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079188
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079188
SCANS=2473
47.25538635253906	156.0
47.70934295654297	140.0
49.04658889770508	180.0
49.57068634033203	164.0
57.491390228271484	164.0
61.41337585449219	140.0
64.68125915527344	168.0
65.32633972167969	152.0
65.52757263183594	140.0
65.78076171875	156.0
66.86186981201172	188.0
68.52393341064453	164.0
69.03397369384766	264.0
72.49443054199219	224.0
77.80426788330078	192.0
82.64546966552734	180.0
86.04515075683594	212.0
88.02259826660156	176.0
97.40425109863281	152.0
99.0216293334961	164.0
99.79753112792969	176.0
110.05120849609375	156.0
112.59420013427734	148.0
113.10163116455078	160.0
115.14488220214844	184.0
116.05266571044922	3568.0
117.05519104003906	136.0
117.64424896240234	140.0
118.00936126708984	152.0
118.0504379272461	164.0
139.00619506835938	152.0
143.610107421875	140.0
148.02899169921875	284.0
149.36709594726562	188.0
150.0157928466797	120.0
152.2388916015625	156.0
154.7317352294922	148.0
155.02401733398438	168.0
157.61941528320312	148.0
158.60797119140625	176.0
165.5093231201172	148.0
169.03839111328125	220.0
170.49319458007812	152.0
170.78176879882812	184.0
170.89996337890625	148.0
170.97430419921875	232.0
171.01512145996094	37140.0
171.24314880371094	180.0
171.30946350097656	144.0
171.81591796875	164.0
172.01710510253906	1668.0
172.96310424804688	188.0
173.00970458984375	1828.0
173.3743133544922	220.0
173.4581756591797	140.0
173.47915649414062	148.0
174.92129516601562	144.0
175.00027465820312	228.0
189.02516174316406	880.0
189.16712951660156	168.0
190.00845336914062	224.0
190.03170776367188	176.0
192.01095581054688	196.0
208.88607788085938	144.0
212.04776000976562	144.0
215.01133728027344	240.0
220.00123596191406	140.0
232.02879333496094	188.0
235.92947387695312	360.0
235.9621124267578	176.0
237.929931640625	260.0
252.093017578125	172.0
253.11790466308594	140.0
253.9544677734375	164.0
255.93649291992188	96.0
265.44915771484375	160.0
279.10345458984375	168.0
279.7455749511719	152.0
292.1128845214844	232.0
301.04486083984375	152.0
319.04180908203125	15852.0
319.1309509277344	184.0
319.1700744628906	144.0
319.2088623046875	128.0
319.221435546875	116.0
319.59332275390625	172.0
320.0428771972656	1228.0
321.03753662109375	2704.0
321.19647216796875	172.0
321.2357177734375	176.0
322.0339660644531	548.0
322.26483154296875	212.0
1664.815673828125	152.0
1855.0665283203125	196.0
1965.8050537109375	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079189
PEPMASS=455.184143
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
INCHI=InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
INCHIAUX=FBOZXECLQNJBKD-ZDUSSCGKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079189
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079189
SCANS=991
46.99317169189453	204.0
49.39579772949219	172.0
49.764373779296875	160.0
50.27534866333008	164.0
50.83858871459961	148.0
58.578651428222656	180.0
66.82948303222656	148.0
72.04791259765625	164.0
73.65664672851562	200.0
75.50261688232422	140.0
76.4916000366211	196.0
76.76513671875	140.0
90.77397918701172	176.0
104.15897369384766	188.0
104.54119873046875	148.0
106.28630065917969	152.0
107.06539154052734	152.0
113.4175033569336	148.0
117.21533203125	184.0
120.04640197753906	176.0
121.02970886230469	156.0
121.31233215332031	228.0
122.19957733154297	228.0
122.67967987060547	168.0
126.99361419677734	140.0
128.2752685546875	148.0
131.8661651611328	148.0
133.0525665283203	284.0
133.97030639648438	152.0
134.06138610839844	6028.0
134.42681884765625	184.0
135.0645751953125	1196.0
136.06556701660156	144.0
139.99383544921875	160.0
142.7198028564453	140.0
147.8655548095703	236.0
148.0604248046875	292.0
160.06419372558594	372.0
161.05609130859375	600.0
166.30955505371094	176.0
169.28990173339844	188.0
169.3753662109375	240.0
173.82052612304688	180.0
175.07421875	7960.0
175.67630004882812	96.0
176.0501708984375	164.0
176.07830810546875	1960.0
176.74273681640625	156.0
177.09056091308594	984.0
177.8664093017578	152.0
179.06814575195312	392.0
186.214599609375	140.0
189.05303955078125	1680.0
189.08615112304688	160.0
190.05514526367188	164.0
193.1078643798828	228.0
202.6372833251953	176.0
214.83677673339844	176.0
219.06695556640625	188.0
221.09352111816406	228.0
221.55731201171875	208.0
239.0698699951172	168.0
249.13504028320312	168.0
250.3900604248047	144.0
254.07411193847656	148.0
255.61349487304688	328.0
255.63894653320312	164.0
267.6138000488281	172.0
279.9293518066406	208.0
280.0992126464844	144.0
280.1391906738281	148.0
281.8306579589844	172.0
284.8726806640625	156.0
290.6323547363281	280.0
291.0770263671875	144.0
292.2394714355469	188.0
293.8646545410156	148.0
298.93243408203125	152.0
304.5816955566406	192.0
307.2412414550781	164.0
307.6530456542969	104.0
307.7353820800781	116.0
307.8382568359375	260.0
307.914794921875	224.0
308.0022277832031	156.0
308.0899353027344	3240.0
308.1263122558594	23904.0
308.45867919921875	108.0
308.6033020019531	204.0
309.0981140136719	692.0
309.12933349609375	3540.0
310.0837707519531	116.0
310.1298522949219	304.0
311.1208801269531	168.0
316.1304626464844	172.0
326.09368896484375	156.0
326.1360778808594	112.0
327.1277160644531	120.0
338.14788818359375	164.0
346.8440856933594	192.0
347.3706359863281	188.0
348.29119873046875	160.0
353.0693054199219	168.0
368.8057861328125	148.0
378.6322937011719	180.0
381.6318664550781	156.0
381.74853515625	188.0
392.466064453125	168.0
393.215576171875	180.0
410.1395568847656	212.0
418.0167541503906	152.0
418.2812805175781	140.0
423.1637878417969	156.0
435.2151794433594	116.0
436.1504821777344	208.0
452.9422912597656	204.0
453.13409423828125	108.0
455.08380126953125	164.0
455.18035888671875	13184.0
455.3087158203125	156.0
456.1838684082031	2724.0
456.3853759765625	164.0
457.0640563964844	100.0
457.1833190917969	248.0
458.18408203125	120.0
459.2556457519531	140.0
465.392333984375	172.0
761.2125854492188	144.0
1548.6956787109375	176.0
1553.6419677734375	156.0
1588.5418701171875	140.0
1684.7833251953125	192.0
1763.9630126953125	152.0
1779.2430419921875	180.0
1867.75390625	212.0
1891.0838623046875	188.0
1899.2120361328125	204.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079190
PEPMASS=327.139435
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, ethyl ester- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCOC(=O)C1(CCCCCCOc2ccc(Cl)cc2)CO1
INCHI=InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3
INCHIAUX=DZLOHEOHWICNIL-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079190
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079190
SCANS=3075
50.280853271484375	188.0
52.58305740356445	164.0
58.63943862915039	192.0
64.74207305908203	160.0
81.64068603515625	200.0
82.9696273803711	140.0
88.67170715332031	148.0
89.46625518798828	200.0
91.05439758300781	204.0
95.0496826171875	200.0
95.08460998535156	144.0
96.08477783203125	192.0
96.63182067871094	228.0
97.06594848632812	376.0
103.05256652832031	140.0
105.06706237792969	172.0
106.07681274414062	144.0
107.04869842529297	504.0
107.08517456054688	996.0
109.06359100341797	140.0
110.44612884521484	184.0
111.07425689697266	188.0
112.5709228515625	180.0
115.01033020019531	168.0
117.07147979736328	180.0
118.07463073730469	172.0
123.08169555664062	176.0
125.09770965576172	404.0
128.0000457763672	148.0
129.99562072753906	160.0
130.03012084960938	220.0
130.3162384033203	208.0
131.05113220214844	148.0
132.05609130859375	340.0
132.10816955566406	200.0
135.0809326171875	1704.0
136.08973693847656	104.0
139.02975463867188	244.0
139.08358764648438	160.0
141.00994873046875	204.0
143.00767517089844	340.0
143.0726318359375	360.0
144.0835723876953	184.0
145.06146240234375	164.0
145.2532958984375	168.0
147.87481689453125	140.0
150.76895141601562	196.0
153.0089569091797	256.0
153.09036254882812	2348.0
154.09332275390625	188.0
154.98641967773438	108.0
155.02642822265625	160.0
156.03416442871094	168.0
156.4496307373047	168.0
156.9857635498047	156.0
158.07090759277344	160.0
165.00973510742188	176.0
166.01405334472656	272.0
166.99945068359375	128.0
167.0244140625	1092.0
168.0318145751953	280.0
169.0236358642578	628.0
170.0230712890625	168.0
171.10711669921875	296.0
177.85794067382812	156.0
179.02479553222656	268.0
181.02256774902344	160.0
181.119140625	388.0
191.02755737304688	172.0
191.0880889892578	144.0
192.99656677246094	160.0
193.03762817382812	240.0
194.0446014404297	156.0
195.00372314453125	356.0
199.13204956054688	1780.0
200.13523864746094	604.0
201.1350860595703	148.0
208.07559204101562	180.0
210.10983276367188	192.0
229.11819458007812	144.0
231.898193359375	164.0
235.0858917236328	1036.0
235.1215057373047	196.0
236.08963012695312	348.0
237.09158325195312	200.0
239.04766845703125	172.0
245.07029724121094	640.0
247.06854248046875	112.0
253.09872436523438	776.0
255.09490966796875	140.0
263.0817565917969	516.0
264.08416748046875	172.0
265.085205078125	292.0
266.0719909667969	144.0
268.1081848144531	144.0
271.0164489746094	184.0
281.0940246582031	808.0
282.0982666015625	116.0
283.0901184082031	316.0
284.093017578125	140.0
285.2767333984375	164.0
309.1182556152344	112.0
325.2217102050781	144.0
329.1130065917969	164.0
329.163818359375	216.0
329.1891174316406	180.0
1828.1444091796875	208.0
1857.080810546875	204.0
1886.9447021484375	156.0
1934.33984375	176.0
1978.115966796875	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079191
PEPMASS=315.236847
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Progesterone aka "(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
INCHI=InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
INCHIAUX=RJKFOVLPORLFTN-LEKSSAKUSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079191
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079191
SCANS=2154
47.39087677001953	156.0
48.17231750488281	140.0
48.46700668334961	192.0
49.2781867980957	164.0
54.29544448852539	148.0
54.939701080322266	168.0
56.50560760498047	184.0
57.210968017578125	152.0
57.92676544189453	208.0
57.95706558227539	160.0
58.05862808227539	168.0
59.32724380493164	148.0
59.345638275146484	160.0
60.361900329589844	140.0
61.15310287475586	144.0
62.292999267578125	160.0
62.580665588378906	192.0
63.35942840576172	176.0
64.36942291259766	144.0
67.32478332519531	156.0
67.62232971191406	140.0
69.196044921875	212.0
69.36502075195312	168.0
69.44295501708984	172.0
70.91351318359375	184.0
71.46095275878906	140.0
71.51311492919922	144.0
72.83366394042969	184.0
74.13886260986328	168.0
74.94650268554688	176.0
77.23116302490234	188.0
80.70816802978516	172.0
81.74495697021484	144.0
81.7791519165039	144.0
82.00789642333984	164.0
83.9477767944336	200.0
87.24183654785156	152.0
91.4081039428711	144.0
92.87535095214844	208.0
94.218994140625	240.0
95.04960632324219	168.0
95.08475494384766	204.0
96.98226928710938	160.0
97.065185546875	8276.0
98.06831359863281	568.0
98.79190826416016	168.0
99.76162719726562	172.0
99.82923126220703	140.0
101.4966049194336	144.0
101.57281494140625	144.0
103.12928009033203	180.0
103.17577362060547	172.0
105.0699234008789	304.0
107.08516693115234	316.0
107.96892547607422	176.0
108.0599365234375	192.0
108.08792114257812	172.0
108.42852020263672	168.0
109.06472778320312	12136.0
109.09941864013672	548.0
109.29446411132812	272.0
109.56512451171875	148.0
110.06771087646484	380.0
110.83467864990234	100.0
111.07754516601562	220.0
112.82860565185547	200.0
114.11338806152344	144.0
118.0772705078125	144.0
119.0869140625	700.0
119.84761047363281	160.0
120.0525131225586	176.0
120.61579895019531	216.0
121.06398010253906	316.0
121.10244750976562	484.0
121.74413299560547	156.0
121.7814712524414	204.0
121.95724487304688	188.0
123.07981872558594	836.0
123.1151123046875	160.0
123.44758605957031	140.0
123.61570739746094	180.0
124.08548736572266	296.0
125.0871810913086	140.0
126.02831268310547	220.0
126.36368560791016	140.0
126.40396118164062	156.0
128.0742645263672	156.0
129.07009887695312	148.0
129.51307678222656	188.0
130.17303466796875	160.0
130.5525360107422	164.0
131.0885772705078	312.0
131.6783447265625	192.0
132.0913543701172	344.0
133.10116577148438	224.0
135.08018493652344	292.0
135.11587524414062	368.0
135.27224731445312	260.0
137.0957489013672	352.0
137.12216186523438	188.0
138.8511962890625	148.0
139.10694885253906	356.0
139.78146362304688	180.0
140.0121612548828	156.0
140.18414306640625	140.0
141.06448364257812	164.0
141.31044006347656	140.0
141.52581787109375	232.0
142.07803344726562	180.0
143.0842742919922	436.0
144.08396911621094	164.0
144.1901092529297	152.0
145.10110473632812	1060.0
145.26516723632812	176.0
146.1072235107422	216.0
147.076171875	240.0
147.1151885986328	804.0
149.0945281982422	308.0
149.13128662109375	496.0
150.10728454589844	176.0
150.1414337158203	180.0
150.6686553955078	160.0
151.1119842529297	304.0
151.31919860839844	140.0
151.6204833984375	204.0
153.2127227783203	168.0
155.08323669433594	144.0
156.9403076171875	140.0
157.09909057617188	404.0
158.1018524169922	204.0
159.1181640625	1160.0
160.125	136.0
161.0939178466797	204.0
161.13360595703125	516.0
162.13059997558594	176.0
163.04745483398438	168.0
163.11087036132812	656.0
163.25845336914062	208.0
163.2933807373047	208.0
165.12664794921875	168.0
165.6474151611328	156.0
166.12677001953125	140.0
169.10009765625	740.0
171.114990234375	584.0
172.1302490234375	180.0
173.09266662597656	192.0
173.13165283203125	784.0
174.1382598876953	148.0
175.14971923828125	436.0
175.4084014892578	140.0
175.4875030517578	156.0
176.15139770507812	120.0
177.1259002685547	1128.0
177.16305541992188	176.0
178.13661193847656	152.0
179.14474487304688	144.0
179.4166259765625	164.0
180.65843200683594	164.0
182.76719665527344	192.0
183.1136474609375	408.0
184.01510620117188	208.0
184.1258087158203	168.0
185.13455200195312	464.0
186.13516235351562	288.0
187.11056518554688	532.0
187.14894104003906	588.0
189.12461853027344	848.0
189.17138671875	172.0
189.84091186523438	152.0
190.1377716064453	204.0
191.1409912109375	252.0
191.48707580566406	184.0
192.14312744140625	144.0
192.4715576171875	188.0
192.6566162109375	200.0
193.15419006347656	196.0
193.1790771484375	156.0
193.8851318359375	172.0
193.99876403808594	228.0
194.1568145751953	152.0
195.11375427246094	144.0
195.41513061523438	156.0
196.12335205078125	176.0
196.4068603515625	156.0
196.90367126464844	184.0
197.129638671875	252.0
198.142822265625	200.0
199.1021270751953	148.0
199.27066040039062	176.0
200.1566619873047	140.0
200.81346130371094	124.0
201.1301727294922	240.0
201.1640625	1184.0
201.66311645507812	152.0
201.97695922851562	140.0
202.13815307617188	188.0
203.03054809570312	148.0
203.144775390625	456.0
203.3937225341797	180.0
203.51295471191406	168.0
204.1473388671875	200.0
205.15447998046875	136.0
207.02911376953125	132.0
207.17605590820312	316.0
207.53890991210938	176.0
208.12277221679688	188.0
209.02761840820312	156.0
209.13107299804688	156.0
209.44712829589844	156.0
210.1389923095703	140.0
210.55465698242188	156.0
211.142578125	336.0
211.6448516845703	148.0
212.16055297851562	164.0
213.16146850585938	688.0
214.1248016357422	152.0
214.31414794921875	172.0
215.1443328857422	260.0
215.17916870117188	436.0
215.779296875	164.0
215.98985290527344	204.0
216.1440887451172	128.0
216.1873016357422	144.0
216.94447326660156	208.0
216.98550415039062	232.0
219.16883850097656	424.0
219.8681640625	140.0
220.17657470703125	272.0
220.2637939453125	160.0
223.06326293945312	144.0
223.14427185058594	176.0
224.064453125	268.0
225.03916931152344	168.0
225.15982055664062	204.0
226.1721649169922	156.0
227.14266967773438	148.0
227.1768798828125	580.0
227.92056274414062	180.0
228.17164611816406	200.0
229.096923828125	172.0
229.1585693359375	508.0
231.17227172851562	224.0
231.94346618652344	204.0
232.16783142089844	156.0
233.19044494628906	1300.0
235.170654296875	144.0
235.1981201171875	436.0
237.16021728515625	276.0
238.16383361816406	108.0
238.2265625	212.0
239.17822265625	824.0
240.18356323242188	164.0
241.15557861328125	700.0
241.1872100830078	144.0
242.09742736816406	168.0
242.1582489013672	552.0
242.31114196777344	192.0
245.18948364257812	504.0
246.1992950439453	140.0
248.19076538085938	152.0
249.0901641845703	144.0
250.17660522460938	160.0
251.1708221435547	276.0
253.1903533935547	348.0
253.9796142578125	188.0
255.17344665527344	340.0
255.2119598388672	572.0
255.93087768554688	188.0
256.09967041015625	276.0
256.21417236328125	136.0
257.1892395019531	388.0
258.1883544921875	188.0
260.2987365722656	164.0
260.6617126464844	160.0
261.4366760253906	152.0
265.0202331542969	160.0
265.42938232421875	204.0
265.6596374511719	156.0
268.1927185058594	200.0
269.1925964355469	140.0
269.22552490234375	148.0
269.9393310546875	160.0
270.21734619140625	164.0
271.2032775878906	1100.0
272.7444763183594	236.0
273.2227478027344	1204.0
273.25543212890625	200.0
274.22088623046875	184.0
274.92779541015625	132.0
275.66241455078125	152.0
279.2113952636719	2016.0
280.2120666503906	396.0
281.0563049316406	144.0
281.2176208496094	192.0
282.58526611328125	168.0
283.506103515625	184.0
285.0429992675781	180.0
286.0721435546875	184.0
287.2369384765625	240.0
288.42620849609375	124.0
295.21966552734375	176.0
295.9207763671875	120.0
296.21905517578125	164.0
297.17572021484375	132.0
297.2208251953125	6408.0
298.2237854003906	668.0
299.05987548828125	152.0
299.2210388183594	128.0
299.5235290527344	140.0
300.1955871582031	148.0
301.013427734375	160.0
303.60186767578125	184.0
303.762451171875	120.0
305.0184326171875	140.0
306.2606201171875	164.0
311.0439758300781	152.0
312.7980041503906	160.0
312.9388122558594	140.0
313.20526123046875	120.0
313.3314514160156	180.0
313.3790588378906	160.0
314.0523681640625	184.0
314.2322692871094	140.0
314.32208251953125	160.0
314.5954284667969	144.0
314.6522521972656	148.0
314.6935729980469	148.0
314.94354248046875	120.0
314.97625732421875	200.0
315.0498962402344	200.0
315.08709716796875	96.0
315.1404724121094	144.0
315.1870422363281	272.0
315.2331237792969	117984.0
315.3572998046875	108.0
315.4634704589844	148.0
315.5117492675781	124.0
315.5553894042969	104.0
315.62335205078125	104.0
315.65606689453125	188.0
315.7583923339844	104.0
315.81329345703125	824.0
315.90887451171875	96.0
315.9725646972656	248.0
316.127685546875	208.0
316.2356872558594	22988.0
316.3550720214844	96.0
316.4474182128906	144.0
316.5032653808594	100.0
316.530517578125	188.0
316.5957336425781	136.0
316.73748779296875	132.0
316.9859924316406	104.0
317.09490966796875	104.0
317.1936950683594	132.0
317.2388916015625	2356.0
317.3451232910156	96.0
318.00164794921875	176.0
318.0633544921875	176.0
318.1038818359375	172.0
318.14117431640625	156.0
318.2367858886719	392.0
318.2970275878906	252.0
318.3459777832031	160.0
318.4063720703125	248.0
318.5284118652344	136.0
319.5622863769531	168.0
320.3156433105469	148.0
327.7698974609375	108.0
333.2412414550781	252.0
338.45050048828125	140.0
357.2540588378906	140.0
387.0423278808594	168.0
438.47552490234375	140.0
512.0156860351562	152.0
588.23828125	140.0
1357.615966796875	172.0
1362.3502197265625	148.0
1365.70947265625	152.0
1389.7777099609375	148.0
1450.4818115234375	180.0
1460.83935546875	156.0
1483.8646240234375	160.0
1489.0826416015625	140.0
1497.2425537109375	156.0
1548.9642333984375	152.0
1595.4132080078125	220.0
1598.9368896484375	144.0
1600.943115234375	156.0
1618.038330078125	144.0
1625.9417724609375	156.0
1650.05859375	144.0
1660.50439453125	180.0
1678.4927978515625	224.0
1681.87841796875	220.0
1705.24609375	160.0
1722.3509521484375	212.0
1736.1810302734375	188.0
1753.606689453125	208.0
1758.644287109375	216.0
1782.4786376953125	176.0
1799.982666015625	208.0
1809.0120849609375	176.0
1809.477783203125	180.0
1832.451416015625	160.0
1845.6041259765625	176.0
1883.3310546875	176.0
1895.347412109375	248.0
1898.2252197265625	180.0
1901.139892578125	192.0
1921.980712890625	152.0
1926.817626953125	176.0
1938.6474609375	176.0
1956.4072265625	172.0
1960.2120361328125	140.0
1960.793701171875	156.0
1967.2325439453125	200.0
1979.2918701171875	172.0
1982.8619384765625	144.0
1991.1571044921875	184.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079192
PEPMASS=306.210876
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=zucapsaicin [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cc(CNC(=O)CCCC/C=C\C(C)C)ccc1O
INCHI=InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6-
INCHIAUX=YKPUWZUDDOIDPM-VURMDHGXSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079192
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079192
SCANS=1673
45.39688491821289	152.0
46.091487884521484	220.0
46.37297439575195	152.0
46.448631286621094	256.0
46.664833068847656	144.0
46.74236297607422	208.0
47.11212158203125	184.0
47.17061233520508	156.0
47.18564987182617	172.0
47.34574890136719	164.0
47.37998962402344	152.0
47.40106201171875	116.0
47.55963134765625	176.0
47.60218811035156	212.0
47.802886962890625	184.0
48.1585807800293	144.0
48.34164047241211	156.0
48.41028594970703	188.0
48.55718994140625	156.0
48.76544952392578	208.0
49.16794967651367	156.0
49.26848602294922	216.0
49.30866622924805	148.0
49.74462127685547	148.0
50.138450622558594	204.0
50.200477600097656	152.0
50.41081619262695	164.0
50.436256408691406	156.0
50.518272399902344	168.0
50.564964294433594	152.0
51.013816833496094	160.0
51.099937438964844	220.0
51.21951675415039	224.0
51.47909164428711	184.0
51.530513763427734	144.0
51.8725471496582	212.0
51.929901123046875	224.0
51.98441696166992	228.0
52.10503005981445	156.0
52.17401123046875	204.0
52.33013153076172	160.0
52.509517669677734	240.0
52.78824234008789	144.0
53.11845779418945	156.0
53.81264114379883	168.0
54.05674362182617	176.0
54.58924102783203	168.0
54.618656158447266	164.0
54.82035827636719	200.0
55.075592041015625	164.0
55.103660583496094	204.0
55.21600341796875	168.0
55.38917541503906	204.0
56.769317626953125	160.0
56.9764518737793	168.0
57.52310562133789	160.0
57.63939666748047	172.0
57.672645568847656	216.0
57.93291473388672	180.0
58.02081298828125	152.0
58.313777923583984	224.0
58.34265899658203	200.0
58.353302001953125	200.0
59.04865264892578	160.0
59.22160339355469	152.0
59.377933502197266	148.0
59.43622970581055	176.0
59.60052490234375	156.0
59.789669036865234	208.0
59.82353210449219	148.0
60.0747184753418	208.0
60.79108810424805	212.0
60.971229553222656	152.0
61.18277359008789	180.0
61.51950454711914	160.0
61.80864334106445	144.0
61.86029052734375	176.0
61.95111846923828	168.0
62.05141830444336	188.0
62.07807159423828	148.0
62.23655700683594	232.0
62.29623794555664	144.0
62.39681625366211	144.0
62.543113708496094	180.0
62.643890380859375	192.0
62.88198471069336	164.0
63.23759841918945	176.0
63.46254348754883	140.0
63.75779724121094	144.0
64.06488800048828	172.0
64.33758544921875	164.0
64.52291107177734	152.0
64.83984375	224.0
64.97774505615234	180.0
65.03712463378906	144.0
65.15435028076172	176.0
65.26042175292969	172.0
65.50987243652344	148.0
66.59526062011719	144.0
66.90095520019531	188.0
66.99214935302734	160.0
67.01821899414062	152.0
67.05732727050781	184.0
67.14210510253906	248.0
67.17554473876953	136.0
67.18941497802734	252.0
67.31182098388672	188.0
67.69283294677734	144.0
68.0322265625	160.0
68.04535675048828	180.0
68.32804107666016	156.0
68.50089263916016	212.0
68.5190200805664	180.0
68.89020538330078	164.0
69.27565002441406	240.0
69.38999938964844	180.0
69.7901382446289	148.0
69.90989685058594	152.0
69.96316528320312	148.0
70.03643035888672	144.0
70.05975341796875	148.0
70.23477935791016	196.0
70.61727142333984	232.0
71.0511245727539	144.0
71.07293701171875	156.0
71.11656951904297	156.0
71.4194107055664	112.0
71.45265197753906	164.0
71.62435913085938	204.0
71.89073944091797	224.0
72.29124450683594	152.0
72.42330169677734	152.0
72.65553283691406	208.0
72.73699188232422	168.0
72.83717346191406	144.0
73.03094482421875	168.0
73.09899139404297	164.0
73.34701538085938	232.0
73.42948913574219	176.0
74.09957122802734	180.0
74.24698638916016	188.0
74.34305572509766	140.0
74.53194427490234	156.0
74.5577163696289	160.0
74.86393737792969	216.0
74.95006561279297	148.0
75.27262878417969	152.0
75.69281768798828	200.0
75.96492004394531	156.0
76.02391815185547	180.0
76.07598114013672	196.0
76.15933227539062	144.0
76.28096771240234	160.0
76.71965026855469	152.0
76.86441040039062	204.0
76.94993591308594	176.0
76.98485565185547	152.0
77.12113189697266	140.0
77.44482421875	176.0
77.4649429321289	156.0
77.50438690185547	188.0
77.7867431640625	176.0
78.19276428222656	216.0
78.576904296875	272.0
79.04759979248047	204.0
79.40475463867188	176.0
79.91101837158203	140.0
80.09972381591797	156.0
80.61355590820312	148.0
80.74795532226562	156.0
80.79235076904297	180.0
80.96955871582031	164.0
81.13440704345703	140.0
81.17205810546875	144.0
82.51889038085938	216.0
82.54420471191406	232.0
82.57494354248047	160.0
83.11116027832031	140.0
83.39990997314453	176.0
83.4308090209961	148.0
83.68370056152344	184.0
84.3404312133789	208.0
84.4958724975586	160.0
84.73937225341797	172.0
85.2274169921875	168.0
85.45173645019531	160.0
86.0691909790039	228.0
86.24099731445312	156.0
86.44380950927734	180.0
86.53512573242188	256.0
86.96705627441406	184.0
87.20664978027344	140.0
87.71665954589844	188.0
88.30481719970703	172.0
88.5237808227539	216.0
88.53753662109375	152.0
88.60431671142578	160.0
88.93998718261719	196.0
89.52845764160156	152.0
89.57868194580078	192.0
89.60192108154297	212.0
90.12915802001953	176.0
90.35709381103516	176.0
90.3892593383789	264.0
90.53691864013672	140.0
90.63378143310547	148.0
90.80223846435547	240.0
90.98497009277344	200.0
91.01667785644531	148.0
91.05413055419922	352.0
91.18004608154297	168.0
91.23516845703125	144.0
91.82545471191406	168.0
92.0391845703125	176.0
92.18053436279297	184.0
92.37554931640625	172.0
92.6799545288086	176.0
92.88892364501953	164.0
93.05972290039062	152.0
93.07508087158203	340.0
93.23836517333984	152.0
93.25182342529297	192.0
93.50569152832031	164.0
93.60194396972656	156.0
94.00096130371094	140.0
94.04165649414062	1192.0
94.22236633300781	96.0
94.46417236328125	208.0
95.08180236816406	152.0
95.2613754272461	160.0
95.9273910522461	156.0
96.41094207763672	160.0
96.52627563476562	144.0
96.61428833007812	152.0
96.78456115722656	180.0
96.81393432617188	168.0
96.92166900634766	160.0
96.93734741210938	204.0
97.00202178955078	188.0
97.0683822631836	156.0
97.15302276611328	148.0
97.45536804199219	172.0
98.11271667480469	184.0
98.21525573730469	160.0
98.36719512939453	148.0
98.82371520996094	156.0
99.04798889160156	124.0
99.0711898803711	256.0
99.25786590576172	192.0
99.70811462402344	240.0
99.92684936523438	212.0
99.98853302001953	208.0
100.00843811035156	188.0
100.07508087158203	472.0
100.1159439086914	180.0
100.64627075195312	160.0
101.01410675048828	228.0
101.64118957519531	212.0
101.68132019042969	152.0
101.96047973632812	180.0
102.11327362060547	256.0
102.33059692382812	188.0
102.58645629882812	180.0
103.19210815429688	252.0
103.21434783935547	188.0
103.33558654785156	140.0
103.3943862915039	144.0
103.42070007324219	216.0
103.4368896484375	204.0
103.49762725830078	176.0
103.92935943603516	220.0
104.16154479980469	184.0
104.26441192626953	252.0
104.72625732421875	284.0
105.03302764892578	156.0
105.07133483886719	312.0
106.50985717773438	184.0
107.04764556884766	284.0
107.08566284179688	464.0
107.3846206665039	260.0
107.55793762207031	140.0
107.88224792480469	180.0
107.91326141357422	200.0
107.98563385009766	200.0
108.06035614013672	168.0
108.08700561523438	144.0
108.10356140136719	152.0
108.14701843261719	160.0
108.33338165283203	160.0
108.5551528930664	168.0
109.06460571289062	512.0
109.10155487060547	1812.0
109.54862976074219	148.0
109.7841567993164	140.0
109.99070739746094	160.0
110.21834564208984	156.0
110.25177764892578	160.0
110.3528823852539	152.0
110.8963851928711	156.0
111.079833984375	364.0
111.1234130859375	212.0
112.22496032714844	208.0
112.76537322998047	168.0
113.60811614990234	168.0
113.65691375732422	204.0
113.95417022705078	188.0
114.09233856201172	888.0
114.41567993164062	144.0
114.83759307861328	152.0
114.89518737792969	176.0
115.06700897216797	168.0
115.09017944335938	252.0
116.00936126708984	144.0
116.77162170410156	224.0
117.75009155273438	208.0
118.20407104492188	328.0
119.17112731933594	148.0
119.46897888183594	156.0
119.66702270507812	140.0
119.81729888916016	148.0
119.91971588134766	236.0
120.72530364990234	168.0
121.02946472167969	200.0
121.09954071044922	156.0
121.8695297241211	228.0
122.03602600097656	6024.0
122.22132873535156	176.0
122.38641357421875	140.0
123.04192352294922	816.0
123.11617279052734	496.0
123.45441436767578	140.0
123.9332046508789	188.0
124.04557037353516	152.0
124.12760162353516	148.0
124.49152374267578	180.0
124.74481201171875	148.0
124.78260040283203	204.0
125.1341323852539	296.0
125.44155883789062	196.0
125.90118408203125	168.0
126.092529296875	1648.0
126.12879943847656	164.0
126.4466781616211	160.0
126.53173828125	204.0
126.68850708007812	184.0
126.89244079589844	144.0
127.06513214111328	256.0
127.09481048583984	264.0
127.44681549072266	140.0
127.54345703125	188.0
127.88533782958984	148.0
128.13754272460938	168.0
129.0291290283203	156.0
129.1194610595703	192.0
129.26651000976562	184.0
129.542724609375	184.0
129.9689483642578	184.0
130.1664276123047	200.0
130.40267944335938	204.0
130.47314453125	168.0
130.49588012695312	188.0
130.62779235839844	180.0
130.8735809326172	184.0
130.9327850341797	184.0
130.98516845703125	248.0
131.2791748046875	156.0
131.3658447265625	168.0
131.7949981689453	144.0
132.0876922607422	160.0
132.20437622070312	148.0
132.2455596923828	144.0
133.0432586669922	140.0
133.10171508789062	2944.0
133.1282196044922	356.0
133.18104553222656	156.0
133.5395965576172	204.0
134.10353088378906	376.0
134.33656311035156	176.0
134.74517822265625	160.0
134.76953125	148.0
134.9208221435547	180.0
135.0441436767578	212.0
135.06881713867188	188.0
135.11611938476562	2456.0
135.66590881347656	184.0
135.74343872070312	168.0
135.81698608398438	176.0
136.07225036621094	148.0
136.11825561523438	200.0
136.30624389648438	204.0
136.4517822265625	168.0
136.5090789794922	164.0
136.54071044921875	260.0
136.57418823242188	168.0
136.6124725341797	240.0
136.6894073486328	100.0
136.77557373046875	140.0
136.81251525878906	220.0
136.85494995117188	196.0
136.87661743164062	156.0
136.90577697753906	152.0
136.92691040039062	316.0
136.97433471679688	348.0
137.015380859375	492.0
137.0609893798828	202412.0
137.12745666503906	156.0
137.21435546875	188.0
137.30047607421875	156.0
137.32997131347656	132.0
137.36920166015625	292.0
137.39138793945312	252.0
137.42007446289062	388.0
137.443603515625	4528.0
137.5226593017578	140.0
137.552490234375	112.0
137.62472534179688	148.0
137.64947509765625	116.0
137.71458435058594	220.0
137.7673797607422	120.0
137.81674194335938	200.0
137.83424377441406	172.0
137.97970581054688	232.0
138.0631866455078	25704.0
138.12945556640625	184.0
138.21585083007812	180.0
138.39614868164062	144.0
138.72930908203125	108.0
138.75607299804688	116.0
138.8822021484375	156.0
138.90797424316406	140.0
138.93890380859375	132.0
139.0085906982422	216.0
139.03973388671875	164.0
139.06471252441406	2040.0
139.08885192871094	140.0
139.1161651611328	96.0
139.14523315429688	172.0
139.1844482421875	180.0
140.06768798828125	176.0
140.1060791015625	320.0
144.152099609375	140.0
147.11578369140625	476.0
148.0430908203125	96.0
148.20912170410156	144.0
149.72113037109375	100.0
149.83697509765625	148.0
149.9588165283203	152.0
150.4564208984375	152.0
151.06809997558594	160.0
151.11280822753906	3252.0
151.16091918945312	204.0
152.069091796875	380.0
152.1142120361328	272.0
152.8633270263672	200.0
153.07009887695312	152.0
153.10211181640625	156.0
153.1271209716797	6956.0
154.08877563476562	156.0
154.1287841796875	644.0
155.13064575195312	192.0
161.92381286621094	184.0
164.13978576660156	148.0
165.12928771972656	472.0
166.12391662597656	184.0
168.13543701171875	160.0
169.77415466308594	168.0
170.04396057128906	152.0
170.15447998046875	10052.0
170.20912170410156	200.0
171.15756225585938	764.0
172.15530395507812	172.0
172.48973083496094	168.0
180.40199279785156	148.0
180.49822998046875	212.0
181.33615112304688	148.0
181.6498565673828	228.0
182.11471557617188	164.0
182.15435791015625	29340.0
183.15757751464844	3500.0
184.1566619873047	280.0
184.34030151367188	148.0
184.54934692382812	108.0
195.09561157226562	144.0
210.326904296875	160.0
215.10772705078125	156.0
221.13934326171875	172.0
251.3952178955078	144.0
276.671630859375	192.0
277.2015686035156	148.0
281.91485595703125	164.0
288.6570129394531	164.0
289.174560546875	368.0
305.1578674316406	728.0
305.2066345214844	224.0
306.2071533203125	10336.0
307.0697021484375	200.0
307.21044921875	2888.0
308.21435546875	120.0
309.13861083984375	188.0
309.1658630371094	144.0
324.6192626953125	164.0
405.4083251953125	164.0
539.8475341796875	140.0
903.3460693359375	212.0
1038.7537841796875	184.0
1087.125244140625	144.0
1113.1409912109375	204.0
1146.138671875	140.0
1156.640380859375	204.0
1194.973388671875	148.0
1199.132568359375	252.0
1219.501708984375	208.0
1235.064208984375	144.0
1242.5526123046875	160.0
1292.6632080078125	156.0
1295.9354248046875	144.0
1304.957275390625	184.0
1337.5189208984375	160.0
1355.822021484375	172.0
1356.0418701171875	176.0
1363.4912109375	172.0
1371.9337158203125	192.0
1376.7813720703125	188.0
1384.97607421875	160.0
1396.294677734375	164.0
1396.7557373046875	164.0
1400.5220947265625	168.0
1416.447021484375	148.0
1425.194580078125	228.0
1425.833251953125	168.0
1427.7352294921875	200.0
1430.5115966796875	220.0
1432.63525390625	172.0
1434.7076416015625	144.0
1437.747314453125	160.0
1451.4544677734375	172.0
1453.2900390625	260.0
1454.9066162109375	160.0
1464.2744140625	192.0
1474.887451171875	144.0
1475.575439453125	172.0
1475.78955078125	212.0
1497.6376953125	160.0
1505.141357421875	172.0
1511.8975830078125	188.0
1517.901123046875	160.0
1519.7626953125	208.0
1527.150390625	192.0
1534.3065185546875	172.0
1557.5244140625	232.0
1560.6522216796875	152.0
1562.64208984375	184.0
1566.932861328125	164.0
1572.2001953125	176.0
1575.8087158203125	144.0
1578.7491455078125	164.0
1581.05126953125	156.0
1585.2325439453125	140.0
1589.55419921875	180.0
1596.870849609375	208.0
1599.194091796875	152.0
1599.55224609375	184.0
1609.62158203125	156.0
1611.1151123046875	144.0
1614.3681640625	176.0
1642.1153564453125	220.0
1644.4632568359375	184.0
1644.8587646484375	212.0
1647.9517822265625	144.0
1654.5675048828125	176.0
1659.817626953125	208.0
1673.3133544921875	168.0
1675.5367431640625	188.0
1679.1558837890625	160.0
1685.58056640625	184.0
1688.3109130859375	208.0
1693.36865234375	168.0
1694.2369384765625	164.0
1701.3388671875	176.0
1707.08203125	176.0
1714.6805419921875	148.0
1719.175048828125	152.0
1719.72802734375	228.0
1728.107421875	184.0
1733.2491455078125	192.0
1736.540283203125	184.0
1736.7061767578125	180.0
1738.9215087890625	176.0
1739.27001953125	140.0
1743.0654296875	184.0
1743.713623046875	240.0
1748.6121826171875	172.0
1749.3031005859375	172.0
1750.34375	148.0
1751.9012451171875	140.0
1752.99267578125	140.0
1755.9605712890625	172.0
1756.56103515625	172.0
1758.037841796875	180.0
1761.1602783203125	196.0
1764.85400390625	180.0
1769.2882080078125	200.0
1771.633056640625	228.0
1771.8258056640625	160.0
1782.1201171875	180.0
1782.422607421875	180.0
1785.036865234375	168.0
1786.8873291015625	208.0
1788.1663818359375	224.0
1789.1259765625	164.0
1789.6142578125	152.0
1792.47802734375	180.0
1796.23193359375	224.0
1796.9637451171875	184.0
1798.153564453125	172.0
1798.626220703125	220.0
1802.60400390625	204.0
1804.29443359375	164.0
1804.9962158203125	208.0
1805.3682861328125	148.0
1805.715087890625	180.0
1807.3646240234375	160.0
1807.4322509765625	180.0
1807.55078125	172.0
1808.2955322265625	176.0
1812.4619140625	160.0
1813.402587890625	204.0
1817.668212890625	156.0
1820.749755859375	216.0
1823.3834228515625	200.0
1830.33349609375	208.0
1830.767822265625	188.0
1832.684326171875	224.0
1836.435302734375	192.0
1840.1302490234375	164.0
1840.7877197265625	220.0
1844.487060546875	216.0
1847.308837890625	192.0
1853.4217529296875	160.0
1855.85595703125	140.0
1861.888427734375	148.0
1862.23193359375	180.0
1863.8126220703125	172.0
1865.08447265625	160.0
1866.8985595703125	152.0
1867.3199462890625	156.0
1867.70703125	140.0
1869.4534912109375	208.0
1870.2625732421875	192.0
1872.4322509765625	176.0
1884.2496337890625	244.0
1884.8544921875	188.0
1888.649658203125	160.0
1891.7821044921875	216.0
1893.791015625	148.0
1894.3626708984375	152.0
1895.0384521484375	180.0
1903.4345703125	164.0
1908.1351318359375	184.0
1908.2916259765625	208.0
1910.6746826171875	172.0
1911.1270751953125	148.0
1912.188720703125	148.0
1912.75439453125	156.0
1913.9732666015625	156.0
1917.466552734375	152.0
1919.6807861328125	196.0
1919.8328857421875	148.0
1919.9075927734375	172.0
1920.1168212890625	196.0
1925.5191650390625	172.0
1926.63720703125	180.0
1928.47216796875	228.0
1930.6141357421875	192.0
1932.0660400390625	168.0
1937.625244140625	184.0
1938.8958740234375	184.0
1939.5794677734375	148.0
1940.5262451171875	172.0
1942.0081787109375	176.0
1948.5128173828125	172.0
1949.7430419921875	160.0
1950.2440185546875	156.0
1951.0977783203125	196.0
1952.8026123046875	180.0
1955.204345703125	388.0
1958.7437744140625	184.0
1959.633544921875	208.0
1961.775146484375	240.0
1962.5157470703125	160.0
1965.2235107421875	168.0
1968.9573974609375	204.0
1969.9554443359375	156.0
1971.333740234375	152.0
1973.4464111328125	168.0
1978.0555419921875	240.0
1982.5194091796875	220.0
1983.095458984375	204.0
1984.0084228515625	180.0
1984.7442626953125	180.0
1985.8616943359375	148.0
1990.35205078125	200.0
1990.6806640625	156.0
1991.66650390625	168.0
1992.430419921875	184.0
1996.5013427734375	148.0
1999.3214111328125	256.0
2001.73388671875	224.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079193
PEPMASS=269.07782
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="3(2H)-Pyridazinone, 6-[4-(difluoromethoxy)-3-methoxyphenyl]- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cc(ccc1OC(F)F)c2ccc(O)nn2
INCHI=InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)
INCHIAUX=HJMQDJPMQIHLPB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079193
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079193
SCANS=1167
45.46391677856445	140.0
45.50284194946289	156.0
46.213134765625	180.0
46.526206970214844	212.0
47.32653045654297	160.0
48.229000091552734	184.0
48.91840362548828	148.0
49.01171875	144.0
50.02431106567383	144.0
51.36200714111328	140.0
52.198402404785156	196.0
52.395591735839844	208.0
52.59603500366211	196.0
53.32313537597656	148.0
54.09035110473633	148.0
54.30574417114258	148.0
54.62889862060547	216.0
55.03566360473633	168.0
55.24257278442383	172.0
55.543277740478516	152.0
56.04279327392578	144.0
56.333717346191406	148.0
57.218528747558594	168.0
58.290924072265625	236.0
59.37940979003906	156.0
59.39014434814453	200.0
59.79884338378906	176.0
60.00834655761719	160.0
60.902809143066406	140.0
62.88665771484375	140.0
63.077781677246094	152.0
63.43711471557617	144.0
63.77998733520508	164.0
65.40514373779297	156.0
65.57103729248047	196.0
67.98455810546875	140.0
68.57332611083984	140.0
68.88683319091797	160.0
71.12320709228516	192.0
71.14671325683594	272.0
72.60966491699219	152.0
74.57655334472656	152.0
75.02410125732422	248.0
75.20349884033203	236.0
76.53141021728516	148.0
77.09484100341797	176.0
79.6112289428711	196.0
80.63670349121094	196.0
81.2813949584961	160.0
81.38371276855469	236.0
82.67617797851562	200.0
82.97323608398438	228.0
84.15218353271484	164.0
84.29100036621094	148.0
84.8235855102539	200.0
86.89088439941406	152.0
87.2604751586914	192.0
87.47441101074219	216.0
87.55819702148438	140.0
87.70166015625	164.0
87.80792999267578	156.0
88.90986633300781	220.0
89.42670440673828	180.0
89.5434341430664	164.0
91.14385223388672	156.0
91.62902069091797	144.0
91.69380950927734	152.0
91.8274917602539	168.0
92.65686798095703	160.0
93.05387115478516	148.0
94.3060073852539	200.0
94.435546875	220.0
94.72782897949219	140.0
94.86540985107422	196.0
95.04924774169922	340.0
95.226318359375	232.0
96.31315612792969	220.0
97.03721618652344	144.0
97.1646957397461	168.0
97.42776489257812	140.0
97.81713104248047	216.0
98.84142303466797	184.0
99.02156829833984	244.0
99.86906433105469	172.0
99.8949203491211	156.0
102.04882049560547	308.0
102.6750717163086	196.0
103.05860900878906	208.0
103.28562927246094	108.0
103.6615982055664	200.0
103.9576644897461	216.0
104.06253814697266	168.0
104.46153259277344	192.0
105.04444122314453	184.0
105.75520324707031	140.0
106.0009536743164	188.0
106.03178405761719	192.0
107.03380584716797	612.0
107.51242065429688	152.0
107.77053833007812	148.0
108.04363250732422	580.0
109.04883575439453	164.0
109.41732788085938	148.0
109.70335388183594	160.0
110.01631164550781	716.0
110.0396499633789	152.0
110.06366729736328	184.0
110.84178161621094	140.0
111.02216339111328	172.0
111.07171630859375	160.0
111.62474822998047	168.0
111.72991180419922	212.0
112.01836395263672	192.0
112.04781341552734	164.0
112.15106964111328	140.0
113.92643737792969	156.0
114.07731628417969	152.0
114.36021423339844	160.0
115.0444564819336	660.0
115.78023529052734	168.0
116.04950714111328	344.0
116.13575744628906	224.0
116.75859832763672	208.0
117.05557250976562	304.0
118.06307220458984	156.0
119.03943634033203	172.0
120.05075073242188	192.0
120.4913101196289	172.0
120.52189636230469	160.0
120.6967544555664	168.0
121.37992858886719	188.0
122.02985382080078	264.0
122.05933380126953	816.0
122.86896514892578	144.0
123.04027557373047	324.0
123.06737518310547	784.0
124.0511703491211	184.0
124.83806610107422	156.0
124.96263122558594	200.0
126.0551986694336	144.0
126.89679718017578	192.0
126.963623046875	160.0
127.0380859375	152.0
127.318115234375	184.0
128.0514373779297	524.0
129.04327392578125	296.0
129.57884216308594	168.0
130.0535888671875	1088.0
131.05874633789062	704.0
132.0436553955078	216.0
132.06741333007812	688.0
132.31639099121094	140.0
132.799072265625	156.0
133.0471954345703	344.0
133.06800842285156	172.0
133.37850952148438	196.0
133.45437622070312	232.0
133.79200744628906	128.0
134.04660034179688	320.0
135.0533905029297	280.0
135.1843719482422	176.0
136.03033447265625	140.0
136.38339233398438	184.0
136.95578002929688	152.0
137.0629425048828	240.0
138.05267333984375	380.0
138.68246459960938	152.0
139.02252197265625	216.0
139.06167602539062	304.0
139.09059143066406	288.0
139.33480834960938	156.0
139.71096801757812	160.0
140.073486328125	172.0
141.05331420898438	280.0
141.225830078125	160.0
141.89312744140625	240.0
142.05516052246094	368.0
143.0612030029297	1128.0
143.52655029296875	148.0
144.0644073486328	288.0
145.037841796875	1188.0
145.07652282714844	352.0
145.29403686523438	204.0
145.61569213867188	152.0
146.02908325195312	196.0
146.06008911132812	340.0
146.3708038330078	256.0
146.89137268066406	196.0
147.0557403564453	1076.0
147.39596557617188	176.0
148.06484985351562	316.0
149.0509490966797	184.0
149.4643096923828	212.0
149.59573364257812	160.0
149.67364501953125	188.0
149.90504455566406	168.0
150.05601501464844	144.0
150.20248413085938	220.0
151.03932189941406	348.0
151.1993408203125	208.0
151.2752227783203	180.0
151.806884765625	220.0
152.04238891601562	204.0
152.5188751220703	200.0
152.5901641845703	140.0
152.78936767578125	148.0
153.0404052734375	196.0
154.52374267578125	188.0
155.035888671875	192.0
155.05455017089844	156.0
155.450439453125	156.0
155.51744079589844	196.0
156.79083251953125	144.0
157.9368133544922	196.0
158.04721069335938	1820.0
159.03363037109375	160.0
159.05470275878906	1824.0
159.61744689941406	144.0
160.0373077392578	252.0
160.0634002685547	3916.0
160.12229919433594	128.0
160.15313720703125	140.0
160.5463104248047	148.0
161.03627014160156	172.0
161.06460571289062	348.0
162.03773498535156	104.0
162.06044006347656	148.0
162.0781707763672	224.0
163.0068817138672	152.0
163.0458221435547	124.0
163.4544219970703	208.0
163.98666381835938	192.0
164.07191467285156	180.0
164.5810546875	148.0
165.06654357910156	168.0
167.211181640625	160.0
168.3558349609375	204.0
170.0230255126953	176.0
170.54505920410156	220.0
170.676025390625	96.0
171.0548095703125	2676.0
171.36477661132812	160.0
171.93844604492188	156.0
172.06130981445312	628.0
172.96994018554688	172.0
173.0704803466797	1712.0
173.54196166992188	176.0
173.9039764404297	168.0
174.05885314941406	256.0
174.0750274658203	328.0
175.04995727539062	1884.0
175.83538818359375	128.0
176.0594024658203	536.0
176.48562622070312	164.0
177.03575134277344	156.0
177.0637664794922	424.0
177.6217498779297	160.0
178.0523223876953	488.0
178.93984985351562	196.0
179.05368041992188	160.0
180.03309631347656	140.0
180.71690368652344	156.0
180.94488525390625	148.0
181.04930114746094	184.0
183.04454040527344	140.0
183.06338500976562	164.0
183.2681121826172	164.0
184.05030822753906	136.0
184.59072875976562	148.0
184.99114990234375	148.0
185.029052734375	220.0
185.68479919433594	144.0
186.00767517089844	152.0
186.04217529296875	4596.0
186.08639526367188	192.0
186.4096221923828	164.0
186.67059326171875	144.0
186.7249755859375	200.0
187.0494384765625	4568.0
187.4818115234375	216.0
188.05848693847656	10124.0
188.10955810546875	128.0
188.2086639404297	96.0
189.06394958496094	1320.0
189.3230743408203	176.0
189.50660705566406	144.0
189.71234130859375	176.0
190.02479553222656	204.0
190.065185546875	436.0
190.11935424804688	164.0
190.57284545898438	124.0
191.05099487304688	120.0
191.08058166503906	324.0
191.83987426757812	184.0
192.06338500976562	204.0
192.36399841308594	148.0
193.06805419921875	176.0
193.12110900878906	172.0
193.21514892578125	196.0
193.63589477539062	148.0
195.5933380126953	152.0
197.03939819335938	128.0
198.25502014160156	184.0
198.7625732421875	220.0
199.07984924316406	144.0
199.15841674804688	148.0
199.5349578857422	272.0
199.6614990234375	164.0
199.8330841064453	244.0
200.05247497558594	344.0
200.08074951171875	156.0
200.9459686279297	228.0
201.06739807128906	2968.0
201.8667755126953	180.0
202.0729217529297	680.0
203.04542541503906	11056.0
203.1554718017578	152.0
203.40097045898438	156.0
204.052734375	6052.0
205.05393981933594	880.0
206.00218200683594	188.0
206.04888916015625	2564.0
206.40802001953125	188.0
207.0562744140625	1436.0
208.05752563476562	172.0
209.8247528076172	196.0
211.04254150390625	188.0
211.78396606445312	188.0
212.0418243408203	176.0
214.03602600097656	340.0
215.04156494140625	108.0
215.200927734375	152.0
215.3673858642578	144.0
216.0457000732422	308.0
217.06077575683594	4408.0
217.39041137695312	180.0
217.95904541015625	184.0
218.0333251953125	156.0
218.0627899169922	1108.0
218.8778076171875	140.0
219.0767059326172	5744.0
219.216552734375	160.0
219.3727569580078	168.0
219.42877197265625	144.0
219.99815368652344	180.0
220.07664489746094	1052.0
221.07232666015625	112.0
221.76998901367188	140.0
222.0902099609375	144.0
224.0548095703125	216.0
224.32627868652344	212.0
224.84825134277344	248.0
225.04824829101562	148.0
226.05638122558594	456.0
226.0841827392578	256.0
227.0621337890625	204.0
227.26011657714844	176.0
228.25132751464844	144.0
228.4468231201172	180.0
229.06431579589844	660.0
229.4405975341797	144.0
229.98167419433594	196.0
233.03662109375	132.0
233.09078979492188	164.0
234.04331970214844	2048.0
235.06092834472656	160.0
235.18910217285156	164.0
235.9650115966797	208.0
237.05642700195312	280.0
238.0513153076172	348.0
239.05992126464844	184.0
240.06419372558594	264.0
240.29241943359375	144.0
240.69552612304688	116.0
241.0867919921875	496.0
241.6147003173828	164.0
242.05331420898438	336.0
243.0587615966797	196.0
243.70123291015625	224.0
244.7494354248047	152.0
247.0777587890625	172.0
247.15455627441406	200.0
247.50027465820312	216.0
249.06781005859375	1032.0
250.06187438964844	168.0
250.4932403564453	240.0
251.06285095214844	352.0
251.2119598388672	156.0
251.55276489257812	192.0
252.0644073486328	156.0
253.0553436279297	220.0
253.7672882080078	168.0
254.05165100097656	732.0
254.10348510742188	180.0
257.5223083496094	160.0
259.5640563964844	168.0
261.01544189453125	208.0
262.9870300292969	168.0
264.7878723144531	176.0
267.0561828613281	152.0
267.1584167480469	128.0
267.567138671875	132.0
267.6789245605469	96.0
267.7693176269531	140.0
268.0648193359375	744.0
268.10064697265625	108.0
268.16351318359375	176.0
268.2041015625	308.0
268.2613220214844	200.0
268.4047546386719	140.0
268.57696533203125	148.0
268.6383361816406	200.0
268.6646728515625	180.0
268.72265625	164.0
268.77203369140625	236.0
268.81512451171875	140.0
268.8406677246094	216.0
268.9265441894531	104.0
269.01177978515625	392.0
269.0751647949219	165504.0
269.1606750488281	200.0
269.20489501953125	188.0
269.2270812988281	220.0
269.2739562988281	116.0
269.32147216796875	200.0
269.40936279296875	240.0
269.61187744140625	3124.0
269.7784118652344	164.0
269.8346862792969	100.0
269.9719543457031	124.0
270.0773010253906	22080.0
270.15557861328125	112.0
270.29296875	296.0
270.3269958496094	128.0
270.38714599609375	276.0
270.41448974609375	100.0
270.49261474609375	124.0
270.53070068359375	112.0
270.7463684082031	112.0
271.0797119140625	2688.0
271.2956848144531	164.0
271.4938659667969	144.0
271.611328125	124.0
271.7020568847656	204.0
271.7512512207031	188.0
271.79876708984375	172.0
271.87042236328125	220.0
271.9156799316406	284.0
271.9765319824219	228.0
272.01983642578125	196.0
272.04779052734375	388.0
272.07220458984375	140.0
272.10052490234375	212.0
272.1664123535156	212.0
272.2628173828125	108.0
272.5931396484375	120.0
272.99224853515625	132.0
273.3147888183594	164.0
279.6526794433594	136.0
281.165283203125	144.0
284.06640625	108.0
284.1655578613281	108.0
285.3960876464844	248.0
287.0842590332031	584.0
289.4552917480469	144.0
404.0665588378906	216.0
524.4445190429688	120.0
533.024658203125	176.0
605.5733032226562	164.0
741.8142700195312	144.0
1288.67919921875	148.0
1312.4945068359375	256.0
1331.2723388671875	180.0
1459.18994140625	192.0
1536.2000732421875	224.0
1560.1632080078125	172.0
1584.7396240234375	140.0
1616.89453125	156.0
1628.84912109375	184.0
1642.4605712890625	156.0
1689.020751953125	216.0
1710.7991943359375	176.0
1711.0791015625	240.0
1734.0108642578125	160.0
1779.9512939453125	172.0
1782.3956298828125	144.0
1811.7823486328125	188.0
1813.561767578125	144.0
1830.73193359375	272.0
1841.59716796875	172.0
1887.367919921875	168.0
1940.576904296875	184.0
1951.4639892578125	220.0
1969.97998046875	144.0
1986.8797607421875	220.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079194
PEPMASS=388.241241
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=URAPIDIL HYDROCHLORIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccccc1N2CCN(CCCNc3cc(=O)n(C)c(=O)n3C)CC2
INCHI=InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3
INCHIAUX=ICMGLRUYEQNHPF-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079194
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079194
SCANS=1013
46.784603118896484	224.0
46.8922119140625	164.0
48.15863037109375	140.0
48.500389099121094	236.0
48.76827621459961	144.0
49.83736038208008	184.0
50.56925964355469	168.0
50.83711624145508	184.0
52.118011474609375	180.0
52.43315887451172	188.0
52.52976608276367	240.0
52.76082229614258	156.0
53.30580139160156	236.0
53.93394470214844	148.0
53.98219299316406	144.0
54.527549743652344	152.0
54.973777770996094	184.0
56.162166595458984	204.0
56.38911437988281	216.0
57.5850715637207	148.0
58.81036376953125	228.0
58.982967376708984	200.0
59.06706619262695	156.0
59.90983200073242	144.0
61.18906021118164	144.0
61.454017639160156	140.0
61.8963623046875	148.0
62.49124526977539	152.0
63.313655853271484	216.0
63.85007095336914	176.0
64.80465698242188	204.0
64.98744201660156	164.0
65.0323715209961	192.0
65.10783386230469	160.0
65.94722747802734	156.0
66.1850357055664	176.0
67.12097930908203	188.0
67.20416259765625	140.0
67.73548126220703	180.0
68.03229522705078	192.0
69.24590301513672	204.0
69.94658660888672	200.0
70.57218933105469	168.0
71.13510131835938	180.0
72.64881896972656	152.0
73.93183898925781	200.0
74.07737731933594	204.0
74.26763916015625	284.0
75.54578399658203	176.0
75.66519165039062	152.0
75.77083587646484	192.0
76.40103149414062	184.0
76.73890686035156	276.0
77.06353759765625	160.0
77.17890167236328	164.0
77.32584381103516	176.0
77.7745361328125	216.0
80.00542449951172	148.0
80.76918029785156	160.0
80.99360656738281	168.0
82.21731567382812	156.0
82.76504516601562	148.0
83.07132720947266	144.0
83.44725799560547	148.0
84.14527893066406	160.0
84.4794921875	176.0
85.49597930908203	144.0
86.74455261230469	140.0
86.88549041748047	168.0
87.77640533447266	188.0
87.97230529785156	200.0
88.65499877929688	200.0
88.97667694091797	184.0
89.59070587158203	180.0
89.69435119628906	152.0
90.25315856933594	256.0
90.36664581298828	164.0
90.96550750732422	240.0
91.58158111572266	156.0
91.97055053710938	208.0
92.0755615234375	192.0
92.71837615966797	188.0
93.06749725341797	192.0
93.66944885253906	252.0
94.41059112548828	184.0
94.65635681152344	184.0
95.12165832519531	172.0
95.32364654541016	228.0
96.08978271484375	328.0
96.51659393310547	160.0
97.07718658447266	596.0
97.11781311035156	156.0
97.66974639892578	160.0
98.08517456054688	312.0
98.09793090820312	384.0
98.53910827636719	188.0
98.60234069824219	180.0
98.89109802246094	156.0
99.40636444091797	168.0
99.54928588867188	172.0
99.86329650878906	228.0
100.49478149414062	152.0
100.6085433959961	152.0
100.6524658203125	160.0
100.73235321044922	220.0
100.8062744140625	196.0
101.09623718261719	140.0
101.53897857666016	176.0
102.20188903808594	168.0
102.22000122070312	188.0
103.29737091064453	144.0
103.43901824951172	152.0
104.04312133789062	152.0
105.8680191040039	172.0
106.06623840332031	184.0
107.04468536376953	164.0
108.04779815673828	144.0
108.1512680053711	156.0
108.87068939208984	156.0
108.98078155517578	164.0
110.34803771972656	184.0
110.77496337890625	192.0
111.05484008789062	468.0
112.03328704833984	140.0
112.45079040527344	164.0
112.54367065429688	140.0
112.65772247314453	216.0
113.07003784179688	148.0
114.4690170288086	220.0
114.94650268554688	160.0
115.57471466064453	196.0
115.6988525390625	280.0
115.84661102294922	168.0
115.91035461425781	128.0
116.16387176513672	196.0
117.0558090209961	252.0
118.06639862060547	368.0
118.16133117675781	144.0
118.46095275878906	128.0
119.07077026367188	148.0
119.65625762939453	168.0
120.04401397705078	312.0
121.06291198730469	328.0
122.05677795410156	180.0
123.06734466552734	300.0
123.1349868774414	208.0
123.22686767578125	216.0
123.43905639648438	172.0
123.61824035644531	204.0
124.08246612548828	156.0
125.04521179199219	156.0
125.07540893554688	188.0
125.10841369628906	112.0
125.89907836914062	148.0
126.05768585205078	188.0
126.08003234863281	164.0
127.08545684814453	156.0
128.0610809326172	304.0
128.08811950683594	196.0
128.59994506835938	256.0
128.6270294189453	168.0
128.6450958251953	140.0
129.19422912597656	168.0
129.30284118652344	164.0
129.34132385253906	284.0
130.0694580078125	136.0
130.8441162109375	152.0
131.00125122070312	156.0
131.0360565185547	156.0
131.0579833984375	164.0
131.3887939453125	156.0
131.45724487304688	216.0
131.653564453125	212.0
131.8294677734375	144.0
132.04664611816406	216.0
132.08006286621094	304.0
132.1358642578125	144.0
132.5663299560547	140.0
133.05010986328125	156.0
133.79054260253906	144.0
133.9171905517578	148.0
134.05970764160156	1944.0
134.09767150878906	172.0
134.19602966308594	176.0
134.36207580566406	140.0
134.7611846923828	152.0
135.07827758789062	704.0
135.1755828857422	140.0
135.46942138671875	208.0
135.50880432128906	208.0
136.07550048828125	684.0
136.12811279296875	144.0
137.07542419433594	128.0
138.37586975097656	172.0
138.61244201660156	168.0
139.086669921875	4628.0
140.08999633789062	576.0
140.83836364746094	212.0
140.91595458984375	148.0
141.06578063964844	6368.0
141.11692810058594	212.0
141.31552124023438	156.0
141.6848602294922	216.0
142.06895446777344	416.0
142.50811767578125	184.0
142.52951049804688	148.0
143.13368225097656	212.0
143.59361267089844	160.0
144.0781707763672	272.0
144.33868408203125	184.0
144.72152709960938	176.0
144.97634887695312	156.0
145.07040405273438	256.0
146.0603485107422	348.0
146.0846710205078	660.0
146.6095733642578	148.0
146.70599365234375	164.0
147.06700134277344	448.0
147.08261108398438	268.0
147.77102661132812	172.0
148.075927734375	996.0
148.61903381347656	172.0
148.6505889892578	164.0
148.70640563964844	176.0
148.74281311035156	160.0
149.00021362304688	140.0
149.0817108154297	156.0
149.22137451171875	184.0
149.60089111328125	156.0
149.66419982910156	140.0
150.0913543701172	4204.0
150.15965270996094	164.0
150.6324005126953	196.0
150.6691131591797	128.0
150.89633178710938	172.0
151.09225463867188	536.0
151.9273681640625	180.0
152.10101318359375	184.0
152.88316345214844	228.0
153.60507202148438	140.0
153.72596740722656	144.0
154.0666961669922	216.0
154.9176788330078	184.0
155.58229064941406	148.0
155.79586791992188	160.0
156.32296752929688	172.0
156.44741821289062	156.0
156.87588500976562	156.0
157.07537841796875	204.0
157.714599609375	164.0
158.00717163085938	144.0
159.0672149658203	224.0
159.0943145751953	336.0
159.1952667236328	144.0
160.0750274658203	232.0
160.59202575683594	148.0
160.773681640625	152.0
160.8014373779297	224.0
161.07884216308594	196.0
162.0917510986328	9428.0
163.0936737060547	980.0
163.8264617919922	140.0
164.1040802001953	412.0
164.3108367919922	140.0
164.65188598632812	144.0
164.67330932617188	148.0
164.8572540283203	160.0
164.9492645263672	148.0
165.10418701171875	256.0
167.08070373535156	148.0
167.11888122558594	184.0
167.83924865722656	224.0
168.07757568359375	4464.0
168.15737915039062	200.0
168.1883544921875	160.0
168.69464111328125	172.0
169.0825958251953	220.0
169.2767791748047	148.0
170.07936096191406	140.0
170.17910766601562	140.0
170.21946716308594	148.0
170.7295684814453	144.0
172.41932678222656	168.0
172.87857055664062	200.0
174.08935546875	1248.0
174.1136016845703	476.0
174.14935302734375	196.0
174.68150329589844	200.0
175.08702087402344	1068.0
175.12271118164062	140.0
175.3166046142578	152.0
175.72767639160156	168.0
175.84933471679688	140.0
176.10533142089844	448.0
176.3115234375	172.0
177.10447692871094	1308.0
178.10342407226562	420.0
178.15036010742188	156.0
178.50650024414062	188.0
179.93507385253906	200.0
180.29258728027344	180.0
180.68563842773438	160.0
180.7659149169922	216.0
180.8595733642578	140.0
182.06336975097656	224.0
182.0915069580078	608.0
182.13209533691406	176.0
182.2191619873047	184.0
182.73875427246094	140.0
182.97674560546875	128.0
183.052978515625	152.0
183.09487915039062	200.0
183.7429962158203	236.0
183.8725128173828	184.0
185.07545471191406	164.0
185.38021850585938	148.0
185.4140625	144.0
186.361083984375	156.0
187.08180236816406	148.0
188.01397705078125	160.0
188.13662719726562	132.0
188.63670349121094	148.0
188.66404724121094	152.0
189.10220336914062	1524.0
189.13455200195312	156.0
189.35084533691406	144.0
189.64947509765625	148.0
189.95933532714844	156.0
190.02464294433594	124.0
190.07180786132812	184.0
190.11077880859375	48720.0
190.2289581298828	172.0
190.25570678710938	172.0
190.28268432617188	288.0
190.74655151367188	140.0
190.79141235351562	200.0
190.88601684570312	120.0
191.01046752929688	156.0
191.07958984375	112.0
191.11317443847656	4956.0
191.2855224609375	104.0
191.3911895751953	148.0
192.12005615234375	488.0
192.23190307617188	176.0
192.26417541503906	104.0
192.3892364501953	156.0
192.44996643066406	156.0
192.58560180664062	104.0
193.09584045410156	132.0
193.13308715820312	1756.0
193.17958068847656	148.0
194.09320068359375	540.0
194.137939453125	380.0
194.21554565429688	156.0
194.33761596679688	148.0
194.6262664794922	144.0
194.99851989746094	176.0
195.13194274902344	168.0
195.1597442626953	156.0
195.36277770996094	140.0
195.56033325195312	168.0
195.73294067382812	164.0
195.94461059570312	144.0
196.0226287841797	148.0
196.076904296875	152.0
196.10862731933594	38252.0
196.2930145263672	172.0
196.79713439941406	132.0
197.1114044189453	2840.0
197.59739685058594	164.0
197.76629638671875	132.0
197.87252807617188	132.0
198.11300659179688	932.0
198.5884552001953	136.0
199.11668395996094	184.0
199.39950561523438	128.0
200.12774658203125	276.0
200.63331604003906	172.0
201.4319305419922	160.0
202.11892700195312	200.0
202.69374084472656	140.0
203.11729431152344	2804.0
203.3459930419922	156.0
203.8742218017578	152.0
204.1237335205078	648.0
204.3488311767578	204.0
204.4856719970703	192.0
204.82164001464844	160.0
204.8700714111328	160.0
205.0182342529297	188.0
205.05233764648438	120.0
205.06961059570312	348.0
205.095703125	196.0
205.13442993164062	38312.0
205.25270080566406	136.0
205.37364196777344	164.0
205.42190551757812	100.0
205.4653778076172	176.0
205.56912231445312	112.0
205.75128173828125	140.0
206.06544494628906	148.0
206.1376953125	4772.0
206.72482299804688	132.0
206.83587646484375	176.0
206.90850830078125	148.0
207.1165008544922	160.0
207.14292907714844	540.0
207.81622314453125	128.0
207.85496520996094	180.0
207.8876953125	152.0
208.0919952392578	140.0
209.1453399658203	148.0
210.1242218017578	144.0
210.42526245117188	164.0
210.74008178710938	200.0
212.3702850341797	140.0
212.68324279785156	168.0
213.11593627929688	180.0
213.35641479492188	232.0
213.4909210205078	144.0
214.0696563720703	164.0
215.11669921875	156.0
215.5460205078125	188.0
215.74185180664062	180.0
216.1271514892578	140.0
216.3104705810547	220.0
217.13124084472656	1052.0
217.34095764160156	204.0
218.1404266357422	184.0
218.7310333251953	192.0
219.14944458007812	15860.0
219.69464111328125	168.0
220.1078338623047	180.0
220.15310668945312	2256.0
221.1555938720703	164.0
222.1203155517578	332.0
222.25341796875	152.0
222.470458984375	148.0
223.40060424804688	168.0
223.4392852783203	196.0
224.6249237060547	160.0
225.13351440429688	468.0
228.10446166992188	164.0
228.20968627929688	148.0
228.26681518554688	148.0
228.43524169921875	232.0
229.13978576660156	248.0
229.50001525878906	116.0
230.14404296875	180.0
231.04469299316406	160.0
231.09132385253906	140.0
231.15087890625	936.0
231.99862670898438	184.0
232.14675903320312	984.0
232.9017333984375	224.0
232.9575653076172	160.0
233.03656005859375	140.0
233.1654510498047	26232.0
233.232666015625	136.0
233.51686096191406	312.0
234.1680908203125	4944.0
234.27993774414062	156.0
234.5155029296875	144.0
234.56942749023438	168.0
234.92715454101562	168.0
234.98318481445312	116.0
235.17239379882812	532.0
235.7159423828125	112.0
235.77291870117188	144.0
236.13389587402344	184.0
236.22543334960938	144.0
237.1317596435547	140.0
237.28810119628906	148.0
238.1319580078125	200.0
239.03578186035156	148.0
239.15087890625	912.0
239.43905639648438	148.0
239.9073944091797	180.0
239.94467163085938	224.0
240.15249633789062	496.0
242.0474395751953	176.0
242.14918518066406	144.0
242.55348205566406	140.0
242.6588897705078	192.0
242.7736053466797	208.0
242.94419860839844	148.0
243.11114501953125	156.0
243.3072967529297	148.0
243.3290252685547	152.0
243.4656524658203	208.0
244.205322265625	180.0
244.72811889648438	176.0
245.89398193359375	188.0
246.71116638183594	168.0
246.89370727539062	156.0
247.11590576171875	356.0
247.1681671142578	5376.0
247.22218322753906	148.0
247.73565673828125	176.0
247.76385498046875	172.0
247.80145263671875	228.0
248.17486572265625	4132.0
248.29672241210938	144.0
248.71714782714844	188.0
249.02362060546875	176.0
249.1796875	1044.0
249.93650817871094	152.0
250.17884826660156	148.0
250.4370574951172	148.0
253.3146209716797	168.0
254.53175354003906	140.0
255.7819061279297	156.0
256.12579345703125	160.0
257.1382141113281	232.0
257.8902587890625	144.0
257.9637756347656	184.0
258.1607360839844	188.0
259.0174560546875	180.0
259.503662109375	248.0
260.1195983886719	156.0
260.68487548828125	168.0
260.86163330078125	196.0
261.0191650390625	152.0
261.7142028808594	164.0
262.2167053222656	168.0
263.1445617675781	220.0
263.3330078125	148.0
264.2057800292969	148.0
264.4804992675781	160.0
265.1625061035156	176.0
266.16497802734375	128.0
266.4037170410156	164.0
266.5694274902344	188.0
266.94000244140625	156.0
267.4117126464844	148.0
267.8349914550781	148.0
268.3270568847656	188.0
268.44769287109375	156.0
271.77105712890625	192.0
272.1911926269531	188.0
272.24700927734375	140.0
273.1278076171875	156.0
273.17059326171875	148.0
274.1781005859375	144.0
275.4417724609375	152.0
276.1688537597656	528.0
276.6090087890625	144.0
277.17645263671875	248.0
278.4571838378906	148.0
280.0989074707031	200.0
281.07574462890625	224.0
281.2659606933594	168.0
281.6532897949219	148.0
282.1044006347656	172.0
282.9574890136719	156.0
284.1405334472656	148.0
284.2344970703125	156.0
287.1308898925781	208.0
287.7275695800781	128.0
288.90081787109375	212.0
290.1626281738281	156.0
291.120849609375	160.0
293.0392761230469	212.0
293.2676086425781	188.0
294.9674377441406	152.0
295.7027893066406	160.0
297.01507568359375	160.0
297.6328125	140.0
297.9419250488281	176.0
298.20306396484375	204.0
298.5262145996094	152.0
298.5622863769531	140.0
299.1661682128906	160.0
299.5656433105469	156.0
299.87921142578125	152.0
299.9791564941406	148.0
300.17401123046875	388.0
300.90716552734375	184.0
301.14093017578125	120.0
302.46624755859375	152.0
304.05364990234375	268.0
304.5362243652344	160.0
304.76885986328125	124.0
306.0002136230469	144.0
306.3902893066406	152.0
308.0822448730469	140.0
308.5645446777344	140.0
310.21929931640625	200.0
310.38519287109375	224.0
313.0753479003906	152.0
313.38690185546875	180.0
313.74285888671875	140.0
317.20721435546875	200.0
317.9555969238281	144.0
318.1827697753906	172.0
318.3425598144531	180.0
318.8647766113281	144.0
319.6379699707031	136.0
320.19537353515625	168.0
322.11285400390625	120.0
324.29693603515625	140.0
324.6697692871094	172.0
325.26177978515625	188.0
325.42144775390625	184.0
326.04833984375	140.0
326.2712097167969	220.0
326.440185546875	148.0
327.555908203125	196.0
327.81170654296875	172.0
328.2848205566406	196.0
328.6636962890625	128.0
329.9050598144531	148.0
331.2186279296875	184.0
332.2807922363281	148.0
332.84698486328125	180.0
335.353515625	204.0
338.56121826171875	164.0
339.6167297363281	164.0
340.0643615722656	168.0
341.567138671875	164.0
342.9405517578125	168.0
343.4788818359375	148.0
343.9844055175781	180.0
345.0520324707031	172.0
346.2694396972656	168.0
346.64361572265625	256.0
346.78814697265625	144.0
348.11627197265625	160.0
349.4581298828125	180.0
351.82843017578125	160.0
351.93670654296875	148.0
353.742431640625	168.0
353.854736328125	140.0
355.4289245605469	152.0
355.9056091308594	172.0
355.9469299316406	156.0
357.3150634765625	148.0
358.6292724609375	152.0
358.7498779296875	172.0
359.0618896484375	144.0
359.1533508300781	240.0
359.20782470703125	168.0
360.35382080078125	160.0
360.59185791015625	164.0
360.6334533691406	188.0
360.659912109375	152.0
361.1174011230469	180.0
361.7051086425781	208.0
361.81744384765625	184.0
362.2491455078125	144.0
362.5674133300781	164.0
362.73797607421875	200.0
364.4001770019531	144.0
364.6644592285156	116.0
366.0128479003906	152.0
366.2032775878906	168.0
367.606201171875	148.0
369.05389404296875	216.0
371.0716247558594	144.0
372.62213134765625	212.0
373.1034851074219	164.0
374.0791015625	192.0
375.7521667480469	148.0
376.125732421875	124.0
376.4855651855469	140.0
377.10369873046875	152.0
377.53668212890625	168.0
378.4266662597656	180.0
378.84881591796875	164.0
380.1942443847656	212.0
380.368896484375	160.0
381.2660827636719	148.0
381.80645751953125	220.0
381.87646484375	140.0
382.9818420410156	164.0
383.13702392578125	124.0
383.3701477050781	108.0
383.5713806152344	360.0
383.8452453613281	124.0
384.0675048828125	140.0
384.5830993652344	112.0
384.6607971191406	144.0
385.0645751953125	144.0
385.3652038574219	156.0
385.60821533203125	168.0
385.65643310546875	124.0
385.9868469238281	184.0
386.2199401855469	520.0
386.29052734375	140.0
386.3611145019531	196.0
386.5341796875	104.0
386.58648681640625	96.0
386.67041015625	200.0
386.72222900390625	184.0
386.8337707519531	172.0
386.8659362792969	204.0
387.0153503417969	136.0
387.0423889160156	148.0
387.0812683105469	152.0
387.1371154785156	360.0
387.1717224121094	152.0
387.20257568359375	200.0
387.2110290527344	352.0
387.2391662597656	272.0
387.2805480957031	160.0
387.3201904296875	120.0
387.405517578125	228.0
387.4689636230469	324.0
387.5546569824219	144.0
387.6249694824219	316.0
387.6585388183594	120.0
387.7056884765625	336.0
387.7717590332031	308.0
387.8172912597656	480.0
387.8504943847656	332.0
387.8972473144531	252.0
387.9182434082031	440.0
387.9522705078125	400.0
387.99078369140625	452.0
388.04876708984375	352.0
388.08843994140625	580.0
388.1356506347656	596.0
388.23748779296875	226792.0
388.3719787597656	300.0
388.4989929199219	296.0
388.5364074707031	176.0
388.5522155761719	288.0
388.5992126464844	360.0
388.6401672363281	360.0
388.70404052734375	200.0
388.7552795410156	108.0
388.8265686035156	368.0
388.883544921875	7012.0
388.94232177734375	232.0
389.0285339355469	556.0
389.0570983886719	204.0
389.1400146484375	232.0
389.14947509765625	356.0
389.191162109375	284.0
389.2386169433594	104264.0
389.3670654296875	136.0
389.41937255859375	164.0
389.46478271484375	232.0
389.5243835449219	352.0
389.5563659667969	296.0
389.5701904296875	104.0
389.62738037109375	160.0
389.7647705078125	108.0
389.8431091308594	136.0
389.8835754394531	696.0
389.96563720703125	196.0
390.1006164550781	240.0
390.1790466308594	188.0
390.2401428222656	14228.0
390.3536682128906	132.0
390.53485107421875	148.0
390.56524658203125	200.0
390.6628112792969	144.0
390.71734619140625	160.0
390.7889709472656	148.0
390.85174560546875	196.0
391.0345764160156	100.0
391.130126953125	344.0
391.2430419921875	780.0
391.3491516113281	160.0
391.3897705078125	148.0
391.4430847167969	116.0
391.51824951171875	384.0
391.57342529296875	252.0
391.6380920410156	128.0
391.6850891113281	184.0
391.7334289550781	204.0
391.8324279785156	188.0
391.87408447265625	176.0
392.0313415527344	152.0
392.0709228515625	112.0
392.1370849609375	108.0
392.3872985839844	152.0
392.49072265625	176.0
392.66729736328125	104.0
392.72491455078125	112.0
392.7803955078125	276.0
392.9046936035156	204.0
392.9413146972656	100.0
393.70745849609375	104.0
393.85003662109375	120.0
393.908935546875	108.0
394.1352844238281	148.0
395.5194396972656	152.0
396.2547607421875	128.0
399.2072448730469	96.0
407.1109619140625	108.0
412.19842529296875	108.0
480.0828857421875	232.0
507.75653076171875	144.0
579.1901245117188	140.0
620.2974853515625	160.0
707.6976928710938	164.0
728.9029541015625	140.0
795.1945190429688	140.0
820.97607421875	140.0
870.7282104492188	152.0
1111.038818359375	188.0
1197.638671875	144.0
1326.1602783203125	140.0
1426.7742919921875	140.0
1475.3399658203125	176.0
1479.1341552734375	160.0
1487.4893798828125	240.0
1509.8643798828125	264.0
1525.814453125	144.0
1528.871337890625	232.0
1550.95849609375	204.0
1604.86767578125	192.0
1608.0426025390625	228.0
1646.943603515625	144.0
1654.552978515625	160.0
1659.2274169921875	160.0
1672.5579833984375	148.0
1674.5853271484375	140.0
1685.002197265625	212.0
1702.4818115234375	152.0
1710.3087158203125	168.0
1714.1466064453125	196.0
1734.11279296875	160.0
1753.0194091796875	208.0
1757.5389404296875	148.0
1764.2203369140625	156.0
1782.4244384765625	144.0
1816.3211669921875	156.0
1818.8157958984375	140.0
1830.386474609375	148.0
1866.2039794921875	144.0
1872.3909912109375	152.0
1955.32958984375	140.0
1957.838623046875	156.0
1972.025146484375	152.0
1976.7564697265625	144.0
1977.3582763671875	144.0
1985.1275634765625	156.0
1985.3681640625	128.0
1997.8642578125	176.0
1998.193359375	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079195
PEPMASS=194.623856
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=URAPIDIL HYDROCHLORIDE [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccccc1N2CCN(CCCNc3cc(=O)n(C)c(=O)n3C)CC2
INCHI=InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3
INCHIAUX=ICMGLRUYEQNHPF-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079195
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079195
SCANS=1014
46.01994705200195	188.0
46.427249908447266	204.0
51.720760345458984	236.0
52.925758361816406	252.0
54.7393913269043	152.0
55.61906433105469	176.0
57.954185485839844	152.0
60.10563659667969	168.0
60.902931213378906	160.0
62.03580093383789	180.0
63.07790756225586	184.0
64.79824829101562	160.0
66.943359375	192.0
68.76478576660156	176.0
72.88651275634766	212.0
73.96607208251953	140.0
76.08126831054688	192.0
78.07145690917969	220.0
78.16117095947266	228.0
79.40837860107422	140.0
81.97026062011719	184.0
82.07841491699219	204.0
82.85922241210938	164.0
82.89183807373047	144.0
83.78105926513672	164.0
86.45376586914062	228.0
88.5219955444336	176.0
89.07527160644531	156.0
90.19266510009766	172.0
90.2928695678711	160.0
91.05664825439453	164.0
91.56825256347656	212.0
94.00299072265625	148.0
94.06268310546875	176.0
94.55569458007812	164.0
94.62344360351562	144.0
94.7900161743164	152.0
95.57254028320312	160.0
96.0576400756836	172.0
96.0966567993164	216.0
96.7983627319336	168.0
98.75852966308594	184.0
99.05940246582031	152.0
99.09140014648438	316.0
100.73235321044922	168.0
101.0705337524414	232.0
102.06108856201172	156.0
103.06929016113281	1188.0
103.57267761230469	260.0
103.63343811035156	180.0
104.04987335205078	456.0
104.07559967041016	232.0
105.05709075927734	504.0
106.0638427734375	500.0
106.24515533447266	152.0
106.76893615722656	248.0
107.0652847290039	184.0
108.04606628417969	124.0
108.0859146118164	152.0
109.05351257324219	228.0
109.57791137695312	164.0
109.73422241210938	144.0
109.76549530029297	172.0
110.0805892944336	184.0
111.06047058105469	192.0
111.09053039550781	148.0
112.06409454345703	176.0
113.07215118408203	204.0
113.12083435058594	164.0
115.07030487060547	180.0
116.04827117919922	152.0
116.96968841552734	168.0
117.05548095703125	1012.0
117.08560943603516	4612.0
117.58736419677734	580.0
118.06517028808594	864.0
118.11981201171875	148.0
119.01703643798828	148.0
119.07167053222656	200.0
119.24976348876953	152.0
120.02229309082031	240.0
120.04513549804688	4116.0
120.07776641845703	612.0
120.58551025390625	200.0
121.05216979980469	3608.0
121.09009552001953	152.0
122.0597915649414	704.0
122.62004089355469	156.0
123.08300018310547	236.0
123.35504913330078	212.0
124.03079223632812	188.0
124.08116149902344	204.0
124.84276580810547	244.0
125.068359375	200.0
126.05668640136719	164.0
126.07905578613281	192.0
126.86566925048828	220.0
127.04930877685547	408.0
127.08648681640625	712.0
127.28746795654297	176.0
129.06304931640625	176.0
129.66331481933594	148.0
130.06484985351562	196.0
130.1211395263672	140.0
131.06419372558594	172.0
132.0453643798828	508.0
132.07875061035156	608.0
132.1175537109375	192.0
133.05198669433594	2472.0
133.08053588867188	112.0
133.58802795410156	140.0
134.0597381591797	1732.0
134.08668518066406	184.0
135.0673828125	1668.0
136.07545471191406	2384.0
136.12115478515625	200.0
137.0695037841797	332.0
137.30332946777344	228.0
137.5973358154297	632.0
138.1044158935547	160.0
138.16400146484375	104.0
138.21437072753906	168.0
139.09103393554688	556.0
140.0586395263672	1688.0
140.08082580566406	164.0
140.24154663085938	168.0
140.59010314941406	412.0
141.06494140625	380.0
142.06558227539062	160.0
143.4076385498047	228.0
144.08253479003906	184.0
145.1039276123047	1500.0
145.6061248779297	308.0
146.05941772460938	332.0
146.1035919189453	136.0
147.0681915283203	272.0
147.8896026611328	180.0
148.07728576660156	1504.0
149.0832061767578	492.0
150.0917510986328	5936.0
150.34918212890625	196.0
150.6250762939453	164.0
151.09495544433594	804.0
152.09539794921875	152.0
152.96685791015625	216.0
153.06695556640625	148.0
153.10719299316406	168.0
154.06190490722656	344.0
154.1070098876953	124.0
155.04226684570312	396.0
155.0686798095703	472.0
156.07742309570312	884.0
156.1115264892578	148.0
157.077880859375	144.0
157.87460327148438	140.0
158.59815979003906	172.0
158.95928955078125	176.0
159.06341552734375	164.0
159.08909606933594	156.0
160.07583618164062	204.0
161.0811309814453	284.0
161.11801147460938	248.0
162.0921173095703	180.0
163.58200073242188	248.0
164.10556030273438	160.0
164.30828857421875	188.0
165.092041015625	228.0
166.1101531982422	4796.0
166.14588928222656	196.0
166.60891723632812	1032.0
166.99026489257812	144.0
167.07618713378906	252.0
167.1343231201172	200.0
167.58489990234375	152.0
168.07730102539062	2184.0
168.13673400878906	156.0
168.61451721191406	120.0
168.75668334960938	168.0
169.0847625732422	1024.0
170.08583068847656	212.0
170.50901794433594	168.0
171.0838623046875	180.0
172.04493713378906	236.0
172.58401489257812	168.0
173.08901977539062	160.0
173.1073455810547	144.0
174.0933380126953	160.0
175.08181762695312	352.0
175.115478515625	232.0
176.10923767089844	484.0
176.9304656982422	196.0
177.10313415527344	656.0
177.13966369628906	160.0
177.5955810546875	192.0
178.10227966308594	204.0
178.61288452148438	288.0
179.11083984375	924.0
179.53707885742188	160.0
179.6101531982422	448.0
180.07350158691406	140.0
180.0972442626953	208.0
180.11422729492188	296.0
180.6053924560547	168.0
182.09326171875	3508.0
182.36863708496094	112.0
183.0952911376953	484.0
185.57398986816406	184.0
185.6905975341797	176.0
186.6029815673828	172.0
187.06130981445312	152.0
187.10928344726562	324.0
187.61302185058594	192.0
188.0794677734375	212.0
188.10845947265625	304.0
188.92930603027344	160.0
189.10000610351562	168.0
189.13536071777344	200.0
189.4193115234375	180.0
189.597412109375	140.0
190.1115264892578	1336.0
190.15139770507812	156.0
190.9178924560547	208.0
191.11724853515625	320.0
191.21775817871094	180.0
192.12451171875	156.0
193.0681610107422	212.0
193.1336669921875	344.0
193.31861877441406	172.0
193.56704711914062	140.0
193.61370849609375	868.0
193.7027587890625	192.0
193.9077911376953	184.0
194.0059356689453	284.0
194.09201049804688	1132.0
194.12013244628906	560.0
194.14834594726562	208.0
194.20030212402344	112.0
194.22569274902344	100.0
194.25601196289062	300.0
194.27740478515625	120.0
194.314453125	264.0
194.4502716064453	120.0
194.53359985351562	264.0
194.56346130371094	96.0
194.62220764160156	94884.0
194.71365356445312	388.0
194.81747436523438	212.0
194.86744689941406	280.0
194.8919219970703	188.0
194.92637634277344	112.0
194.95248413085938	348.0
194.9845733642578	252.0
195.04180908203125	228.0
195.07826232910156	1992.0
195.12289428710938	34788.0
195.16531372070312	248.0
195.20565795898438	144.0
195.24954223632812	228.0
195.3112030029297	156.0
195.36094665527344	168.0
195.39698791503906	136.0
195.55487060546875	364.0
195.62454223632812	5612.0
195.68003845214844	144.0
195.7081756591797	164.0
195.8247528076172	108.0
195.9917449951172	236.0
196.06761169433594	184.0
196.1083526611328	6116.0
196.19361877441406	100.0
196.2578582763672	144.0
196.33547973632812	124.0
196.4153289794922	192.0
196.6285858154297	220.0
196.7150115966797	96.0
196.74432373046875	144.0
196.7943115234375	112.0
196.8614959716797	152.0
196.90325927734375	456.0
196.96290588378906	144.0
196.99122619628906	236.0
197.11285400390625	688.0
197.18075561523438	156.0
197.23777770996094	120.0
197.53091430664062	172.0
198.1102752685547	200.0
198.15354919433594	168.0
198.27783203125	160.0
199.93634033203125	100.0
200.92379760742188	220.0
201.0762481689453	548.0
202.07931518554688	164.0
203.07644653320312	192.0
203.4801483154297	136.0
205.13555908203125	1000.0
206.13609313964844	136.0
208.1219024658203	148.0
213.13278198242188	188.0
215.13421630859375	192.0
216.0781707763672	148.0
218.13978576660156	148.0
219.1533660888672	288.0
220.15213012695312	144.0
223.1180877685547	140.0
225.13040161132812	180.0
231.14637756347656	156.0
233.16493225097656	1124.0
234.1708221435547	284.0
239.1513214111328	1648.0
240.1533966064453	164.0
241.0215606689453	188.0
241.16848754882812	1072.0
242.16497802734375	196.0
244.18666076660156	152.0
248.0584259033203	184.0
250.19158935546875	400.0
251.1903839111328	164.0
276.1698303222656	600.0
300.1755065917969	244.0
367.3048095703125	140.0
1235.541015625	184.0
1236.1971435546875	208.0
1242.2171630859375	144.0
1243.8802490234375	148.0
1385.19970703125	160.0
1388.37939453125	152.0
1485.5096435546875	176.0
1500.791015625	200.0
1542.8721923828125	180.0
1556.36376953125	152.0
1574.206787109375	144.0
1595.337890625	220.0
1603.289306640625	172.0
1609.2718505859375	148.0
1615.9935302734375	148.0
1635.6470947265625	180.0
1649.4969482421875	148.0
1673.974609375	244.0
1674.8460693359375	188.0
1695.2628173828125	188.0
1713.6768798828125	140.0
1721.2569580078125	160.0
1724.4705810546875	208.0
1739.4544677734375	192.0
1740.973876953125	240.0
1751.6197509765625	160.0
1755.5953369140625	152.0
1762.732666015625	176.0
1767.7081298828125	168.0
1772.5313720703125	152.0
1773.9561767578125	144.0
1895.6121826171875	140.0
1897.1895751953125	172.0
1898.3427734375	140.0
1906.3377685546875	140.0
1909.076171875	164.0
1911.7816162109375	164.0
1913.8446044921875	204.0
1919.054931640625	188.0
1926.2197265625	180.0
1942.7119140625	164.0
1945.57275390625	168.0
1963.725830078125	168.0
1966.407958984375	156.0
1972.7940673828125	212.0
1982.5567626953125	152.0
1988.205810546875	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079196
PEPMASS=278.194672
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Maprotiline hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CNCCCC1(CCC2c3ccccc31)c4ccccc24
INCHI=InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
INCHIAUX=QSLMDECMDJKHMQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079196
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079196
SCANS=1168
45.96451187133789	224.0
46.40681838989258	156.0
46.439361572265625	148.0
46.51399230957031	164.0
46.678382873535156	180.0
46.75048065185547	176.0
48.125389099121094	232.0
48.325801849365234	140.0
48.92536544799805	160.0
49.12882995605469	236.0
49.262847900390625	140.0
49.31874084472656	176.0
49.343902587890625	172.0
50.18773651123047	148.0
50.265316009521484	144.0
50.36555480957031	168.0
50.39522171020508	188.0
50.43054962158203	168.0
50.87675857543945	204.0
51.72065734863281	144.0
52.185462951660156	152.0
52.1998405456543	144.0
52.4517936706543	208.0
52.4820671081543	192.0
52.982139587402344	160.0
53.09519958496094	148.0
53.62295150756836	184.0
53.77755355834961	140.0
53.898765563964844	156.0
54.659793853759766	148.0
56.979400634765625	184.0
57.2847900390625	156.0
57.52993392944336	200.0
57.58797836303711	184.0
59.137332916259766	152.0
59.20163345336914	144.0
59.24911880493164	164.0
60.179752349853516	212.0
60.58481216430664	144.0
60.747581481933594	164.0
60.84535217285156	148.0
61.53193283081055	148.0
61.7898063659668	148.0
61.95262145996094	148.0
62.11251449584961	144.0
62.55879211425781	172.0
62.747406005859375	160.0
65.15428161621094	204.0
65.37134552001953	172.0
66.2059555053711	196.0
67.57080078125	148.0
67.99932861328125	144.0
68.81746673583984	192.0
68.88187408447266	164.0
69.09947967529297	172.0
69.35511779785156	140.0
69.39656066894531	168.0
69.83663177490234	196.0
70.02136993408203	184.0
70.15300750732422	224.0
70.39159393310547	164.0
70.6121826171875	288.0
70.72261047363281	204.0
71.28948211669922	164.0
71.43238830566406	160.0
72.54183959960938	140.0
73.3629150390625	140.0
73.77946472167969	152.0
74.08407592773438	152.0
74.58858489990234	188.0
74.85008239746094	176.0
75.12239837646484	148.0
75.79840850830078	216.0
75.84866333007812	140.0
76.67417907714844	196.0
77.29068756103516	152.0
77.32569122314453	148.0
77.43423461914062	148.0
78.85582733154297	240.0
79.15657043457031	144.0
79.39580535888672	188.0
79.87891387939453	144.0
80.0711441040039	204.0
80.26717376708984	152.0
80.41702270507812	148.0
80.88711547851562	172.0
81.70902252197266	140.0
81.75040435791016	156.0
82.40132904052734	188.0
82.5594482421875	160.0
82.79928588867188	152.0
83.02400207519531	232.0
83.94235229492188	228.0
84.11932373046875	160.0
85.02533721923828	148.0
85.35600280761719	184.0
85.93621063232422	196.0
86.91686248779297	160.0
87.21214294433594	204.0
88.16825103759766	216.0
88.5442886352539	156.0
88.98494720458984	144.0
89.0976333618164	156.0
89.95259094238281	184.0
90.34300231933594	140.0
90.73767852783203	176.0
91.05543518066406	1944.0
91.68618774414062	176.0
91.7128677368164	164.0
92.06200408935547	232.0
92.4443359375	172.0
93.87548065185547	228.0
93.91791534423828	156.0
94.79502868652344	128.0
94.82276916503906	188.0
94.88673400878906	184.0
94.95848083496094	184.0
96.01648712158203	184.0
96.57506561279297	176.0
97.06270599365234	180.0
97.38848114013672	236.0
98.2427749633789	148.0
98.37104797363281	220.0
98.8058090209961	152.0
99.46967315673828	160.0
99.49150848388672	204.0
99.54512023925781	144.0
100.32505798339844	196.0
100.94200134277344	164.0
101.14607238769531	192.0
101.1640853881836	196.0
102.12926483154297	184.0
102.83445739746094	216.0
104.1525650024414	192.0
104.87488555908203	140.0
105.07140350341797	812.0
105.73473358154297	152.0
105.80842590332031	152.0
106.07678985595703	236.0
106.48099517822266	180.0
107.73954772949219	176.0
107.87800598144531	220.0
108.76043701171875	172.0
108.9844741821289	168.0
109.8153305053711	160.0
110.30391693115234	232.0
110.57887268066406	184.0
111.28015899658203	264.0
111.96895599365234	196.0
113.33238983154297	144.0
113.60800170898438	192.0
114.42195129394531	204.0
114.46453094482422	196.0
114.89293670654297	192.0
114.92494201660156	144.0
115.05426788330078	1348.0
115.25588989257812	176.0
115.2836685180664	156.0
115.65152740478516	288.0
115.68363189697266	184.0
116.06069946289062	328.0
116.64727020263672	164.0
117.07041931152344	9168.0
117.14602661132812	140.0
117.80829620361328	140.0
118.07400512695312	724.0
118.21260833740234	160.0
118.93864440917969	168.0
119.08418273925781	484.0
119.39490509033203	148.0
119.66690063476562	176.0
119.68431854248047	152.0
119.73004913330078	180.0
119.8651123046875	140.0
120.1005630493164	152.0
122.44134521484375	168.0
123.10072326660156	364.0
123.27523040771484	140.0
123.94349670410156	272.0
124.07647705078125	148.0
125.04273986816406	164.0
125.50163269042969	148.0
125.8206787109375	244.0
126.10883331298828	220.0
126.33243560791016	180.0
126.84075927734375	192.0
126.86093139648438	152.0
127.0607681274414	180.0
127.76370239257812	120.0
127.88970947265625	160.0
128.0629119873047	1072.0
129.0686798095703	1424.0
130.0414276123047	168.0
130.527587890625	168.0
131.08497619628906	4052.0
131.30413818359375	160.0
131.9640655517578	164.0
132.09017944335938	464.0
132.54238891601562	140.0
132.68983459472656	152.0
133.04542541503906	208.0
133.10662841796875	152.0
133.35093688964844	200.0
133.5003662109375	160.0
133.98019409179688	128.0
134.56491088867188	168.0
134.8374786376953	204.0
134.95074462890625	144.0
135.2422332763672	176.0
137.739501953125	172.0
138.32643127441406	172.0
140.69131469726562	140.0
140.8566131591797	180.0
140.99365234375	184.0
141.03619384765625	196.0
141.0696563720703	8080.0
141.29632568359375	252.0
141.56378173828125	196.0
142.0724639892578	836.0
142.1492919921875	148.0
142.18727111816406	144.0
143.08505249023438	2320.0
143.13577270507812	180.0
143.6219482421875	140.0
144.0885467529297	728.0
144.22125244140625	168.0
144.3957977294922	204.0
145.0326690673828	160.0
145.08779907226562	144.0
146.10604858398438	176.0
146.7090301513672	156.0
146.8190155029297	188.0
146.93479919433594	164.0
148.09510803222656	180.0
148.16050720214844	196.0
149.51783752441406	196.0
149.69798278808594	176.0
150.05860900878906	176.0
150.50755310058594	168.0
151.05499267578125	140.0
151.1455078125	248.0
151.45152282714844	144.0
152.1184844970703	196.0
152.966552734375	164.0
153.0702667236328	296.0
153.16107177734375	192.0
153.44692993164062	140.0
153.7009735107422	192.0
153.75526428222656	180.0
154.07901000976562	552.0
154.62025451660156	164.0
154.9049835205078	176.0
155.0857391357422	1112.0
155.23214721679688	152.0
155.2693328857422	216.0
156.0142364501953	208.0
156.08956909179688	276.0
156.2828369140625	156.0
156.5118408203125	164.0
156.8855438232422	144.0
157.68429565429688	164.0
159.09925842285156	180.0
160.52613830566406	148.0
161.0409698486328	180.0
163.5714874267578	208.0
163.6173095703125	176.0
164.43809509277344	156.0
165.0680694580078	608.0
166.06686401367188	212.0
166.59921264648438	176.0
167.08612060546875	184.0
167.40426635742188	152.0
167.57791137695312	176.0
168.092529296875	528.0
168.76927185058594	176.0
169.10122680664062	7928.0
169.84400939941406	196.0
170.01783752441406	188.0
170.1051483154297	704.0
170.2125244140625	156.0
171.11068725585938	336.0
171.49107360839844	116.0
172.1105499267578	164.0
173.7937469482422	140.0
174.12713623046875	232.0
174.91065979003906	192.0
174.93698120117188	188.0
175.53768920898438	140.0
176.06283569335938	228.0
176.43275451660156	156.0
176.64695739746094	192.0
177.45997619628906	192.0
178.0512237548828	172.0
178.07777404785156	18752.0
178.47525024414062	168.0
179.08306884765625	3880.0
179.4639892578125	128.0
180.08827209472656	672.0
180.71470642089844	200.0
180.88539123535156	108.0
181.34132385253906	152.0
181.6067657470703	164.0
182.05764770507812	184.0
183.9072265625	140.0
184.07461547851562	192.0
184.70701599121094	180.0
185.6658172607422	140.0
186.53465270996094	164.0
189.04486083984375	232.0
189.06822204589844	380.0
190.07626342773438	904.0
190.94775390625	168.0
191.03245544433594	136.0
191.08616638183594	34512.0
191.1565704345703	164.0
191.21737670898438	208.0
191.5326385498047	104.0
191.79025268554688	140.0
191.98324584960938	208.0
192.03013610839844	208.0
192.0892333984375	4620.0
192.37582397460938	184.0
192.4109344482422	184.0
192.8639678955078	180.0
193.10096740722656	5084.0
193.39288330078125	124.0
193.46524047851562	108.0
193.5770721435547	156.0
194.10202026367188	600.0
194.34153747558594	216.0
195.10768127441406	148.0
195.20384216308594	140.0
199.17526245117188	164.0
199.78807067871094	236.0
200.15394592285156	140.0
201.06166076660156	248.0
202.07522583007812	144.0
202.97679138183594	184.0
203.08291625976562	1892.0
203.4647979736328	144.0
203.95205688476562	136.0
204.09323120117188	5008.0
205.05947875976562	116.0
205.10015869140625	3552.0
205.89364624023438	172.0
206.10557556152344	1332.0
207.11044311523438	208.0
207.76759338378906	208.0
208.99815368652344	216.0
209.2168731689453	196.0
209.4959259033203	196.0
209.77862548828125	152.0
209.94296264648438	160.0
210.3988494873047	176.0
211.11541748046875	172.0
213.9384002685547	148.0
214.16712951660156	252.0
215.69757080078125	160.0
217.09852600097656	1160.0
217.82786560058594	168.0
218.11007690429688	1520.0
218.1716766357422	156.0
218.36083984375	148.0
218.73353576660156	212.0
218.91018676757812	156.0
219.03298950195312	144.0
219.11727905273438	45164.0
219.212158203125	200.0
219.4177703857422	104.0
219.7218780517578	104.0
220.0766143798828	208.0
220.11961364746094	6044.0
220.53427124023438	144.0
220.86691284179688	200.0
221.12319946289062	824.0
221.21975708007812	148.0
221.61489868164062	120.0
221.71824645996094	148.0
221.74197387695312	108.0
222.1237335205078	172.0
223.08197021484375	144.0
224.9527130126953	140.0
225.0243682861328	156.0
225.91195678710938	148.0
227.08912658691406	160.0
227.18487548828125	152.0
228.59423828125	184.0
229.10137939453125	128.0
229.5310516357422	240.0
231.11985778808594	192.0
231.45281982421875	140.0
232.0648651123047	180.0
232.12539672851562	444.0
233.11941528320312	208.0
236.19131469726562	164.0
236.3106231689453	172.0
236.60443115234375	172.0
238.75535583496094	188.0
241.6951446533203	156.0
241.80345153808594	140.0
244.53463745117188	164.0
244.62489318847656	184.0
245.02040100097656	148.0
246.23379516601562	152.0
247.14842224121094	2984.0
247.77276611328125	156.0
248.1538543701172	768.0
248.1927490234375	152.0
248.26800537109375	164.0
248.41542053222656	176.0
249.15452575683594	276.0
249.70321655273438	172.0
249.86048889160156	172.0
250.0755157470703	144.0
250.10247802734375	160.0
250.15982055664062	43056.0
250.24188232421875	140.0
250.28929138183594	156.0
250.35879516601562	268.0
250.4137420654297	200.0
250.4857940673828	176.0
250.5193328857422	100.0
250.64447021484375	184.0
250.7901153564453	124.0
250.92994689941406	168.0
251.02883911132812	128.0
251.11981201171875	200.0
251.1627960205078	6548.0
251.24171447753906	196.0
251.4746551513672	104.0
252.164306640625	624.0
252.35353088378906	128.0
252.51429748535156	116.0
252.78053283691406	156.0
252.84765625	112.0
253.58026123046875	156.0
255.53953552246094	152.0
258.6637878417969	232.0
260.0837707519531	144.0
260.3020935058594	172.0
260.4594421386719	180.0
261.4754638671875	164.0
262.05828857421875	148.0
263.18072509765625	168.0
263.3131103515625	192.0
264.066162109375	228.0
264.117919921875	172.0
265.7043151855469	180.0
265.8674621582031	156.0
267.52508544921875	188.0
268.7668151855469	180.0
269.0605773925781	176.0
270.3091125488281	160.0
271.52447509765625	156.0
274.7757263183594	232.0
274.96905517578125	140.0
275.011962890625	280.0
275.470947265625	160.0
276.0072937011719	96.0
276.5290222167969	152.0
276.59307861328125	124.0
276.656005859375	208.0
277.0621337890625	144.0
277.1515808105469	200.0
277.2267761230469	328.0
277.306396484375	168.0
277.35809326171875	184.0
277.4118957519531	184.0
277.5327453613281	144.0
277.6314392089844	152.0
277.6766662597656	152.0
277.79559326171875	208.0
277.9945983886719	172.0
278.0470275878906	260.0
278.0928039550781	136.0
278.1329040527344	212.0
278.1921081542969	187100.0
278.27435302734375	152.0
278.3970947265625	180.0
278.49072265625	256.0
278.5071105957031	148.0
278.5614318847656	200.0
278.5837097167969	368.0
278.6980285644531	224.0
278.7373962402344	1736.0
278.78704833984375	236.0
278.85357666015625	168.0
278.93695068359375	236.0
279.0133361816406	160.0
279.0633850097656	156.0
279.11968994140625	236.0
279.1944885253906	36912.0
279.3324279785156	136.0
279.40191650390625	152.0
279.44830322265625	196.0
279.4867248535156	152.0
279.5213928222656	156.0
279.5633239746094	152.0
279.81964111328125	100.0
280.1985778808594	3112.0
280.3398132324219	136.0
280.5162658691406	176.0
280.5614318847656	108.0
280.72711181640625	132.0
280.82073974609375	116.0
280.9085693359375	128.0
281.002685546875	280.0
281.043701171875	200.0
281.1016540527344	112.0
281.1506652832031	208.0
281.2009582519531	352.0
281.2649230957031	108.0
281.3544921875	116.0
281.42462158203125	116.0
281.9421081542969	152.0
281.99688720703125	140.0
282.029296875	244.0
287.2787170410156	144.0
288.1835021972656	160.0
323.7445373535156	200.0
362.1423645019531	140.0
423.02740478515625	160.0
659.2869262695312	164.0
815.7477416992188	156.0
1140.93505859375	144.0
1199.60693359375	160.0
1254.6689453125	144.0
1283.8466796875	172.0
1300.573974609375	160.0
1437.942138671875	192.0
1443.252685546875	148.0
1447.0584716796875	176.0
1452.0823974609375	168.0
1458.6805419921875	192.0
1483.09130859375	148.0
1483.152587890625	140.0
1523.5809326171875	152.0
1523.97021484375	208.0
1525.1195068359375	168.0
1547.6729736328125	144.0
1565.22216796875	164.0
1589.0924072265625	180.0
1631.6697998046875	148.0
1645.0911865234375	188.0
1681.8956298828125	160.0
1709.2930908203125	176.0
1718.7772216796875	192.0
1755.741943359375	196.0
1757.6104736328125	184.0
1764.8438720703125	188.0
1767.7547607421875	152.0
1769.7469482421875	196.0
1770.735107421875	184.0
1776.1243896484375	160.0
1782.58056640625	196.0
1789.6798095703125	164.0
1798.8184814453125	160.0
1830.6212158203125	176.0
1833.5687255859375	204.0
1837.05615234375	176.0
1838.4383544921875	184.0
1849.369140625	176.0
1856.79736328125	172.0
1857.1661376953125	156.0
1861.431396484375	276.0
1867.498779296875	204.0
1869.1849365234375	160.0
1873.54150390625	140.0
1884.2391357421875	152.0
1892.90576171875	152.0
1897.688720703125	196.0
1898.182861328125	144.0
1908.1766357421875	144.0
1908.48974609375	168.0
1920.5684814453125	176.0
1932.8427734375	148.0
1937.649658203125	288.0
1941.734375	168.0
1944.340087890625	140.0
1958.705322265625	136.0
1965.4244384765625	144.0
1969.77685546875	196.0
1984.751220703125	172.0
1987.0040283203125	156.0
1996.161376953125	144.0
1996.6326904296875	152.0
1999.7288818359375	188.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079197
PEPMASS=299.155945
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Piribedil [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C(N1CCN(CC1)c2ncccn2)c3ccc4OCOc4c3
INCHI=InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
INCHIAUX=OQDPVLVUJFGPGQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079197
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079197
SCANS=1024
45.086341857910156	160.0
45.1478385925293	188.0
45.41987991333008	176.0
45.920082092285156	176.0
45.999691009521484	304.0
46.04964828491211	152.0
46.06315612792969	184.0
46.18075180053711	164.0
46.32423400878906	148.0
46.33866500854492	172.0
46.54530334472656	180.0
46.643123626708984	216.0
46.89356994628906	156.0
46.90447235107422	160.0
46.9880485534668	168.0
47.00676345825195	168.0
47.0272331237793	268.0
47.05726623535156	140.0
47.09550094604492	140.0
47.15288543701172	184.0
47.40546417236328	188.0
47.57889175415039	200.0
47.66679382324219	240.0
47.69428253173828	220.0
47.736900329589844	180.0
47.75340270996094	196.0
47.90895080566406	200.0
47.92823791503906	156.0
47.943397521972656	156.0
47.97096252441406	196.0
48.19039535522461	144.0
48.33142852783203	160.0
48.583587646484375	160.0
48.61966323852539	172.0
48.758541107177734	140.0
48.79885482788086	152.0
48.83501052856445	148.0
48.9073600769043	144.0
48.93798828125	144.0
49.06059265136719	220.0
49.21685028076172	144.0
49.23919677734375	240.0
49.25923156738281	128.0
49.32862091064453	184.0
49.63943862915039	164.0
49.68852996826172	184.0
49.812068939208984	144.0
49.827518463134766	224.0
49.89919662475586	212.0
49.98640441894531	188.0
50.04552459716797	148.0
50.22591018676758	180.0
50.2569465637207	156.0
50.3472900390625	172.0
50.41103744506836	192.0
50.44619369506836	140.0
50.49832534790039	180.0
50.74272155761719	148.0
51.25802993774414	208.0
51.297935485839844	144.0
51.52627182006836	156.0
51.58772277832031	168.0
51.68927001953125	164.0
51.8195686340332	200.0
51.97441864013672	196.0
52.153934478759766	140.0
52.3625602722168	188.0
52.678443908691406	160.0
52.69722366333008	160.0
52.75069808959961	172.0
52.81721115112305	184.0
52.89679718017578	216.0
52.91416931152344	164.0
53.202674865722656	156.0
53.28255081176758	160.0
53.46430587768555	160.0
53.49341583251953	172.0
53.6026496887207	144.0
53.64054489135742	244.0
53.74700927734375	164.0
53.7995491027832	192.0
53.84189224243164	144.0
53.99323654174805	144.0
54.42030715942383	168.0
54.55253219604492	156.0
54.592227935791016	156.0
54.60353088378906	152.0
54.73115539550781	156.0
55.220489501953125	264.0
55.439598083496094	148.0
55.58344268798828	156.0
55.59976577758789	140.0
55.62796401977539	156.0
55.65320587158203	184.0
55.694786071777344	200.0
55.78705596923828	168.0
55.98381423950195	144.0
56.52070617675781	148.0
56.64946365356445	208.0
56.685420989990234	184.0
56.90741729736328	180.0
56.950965881347656	212.0
57.06216812133789	200.0
57.208099365234375	212.0
57.34818649291992	372.0
57.36476516723633	184.0
57.4371452331543	180.0
57.57600402832031	180.0
57.76493453979492	168.0
57.9844856262207	176.0
58.042091369628906	204.0
58.092140197753906	196.0
58.23178482055664	152.0
58.38680648803711	140.0
58.4172248840332	160.0
58.77067947387695	220.0
58.82867431640625	140.0
58.97795104980469	188.0
59.04258728027344	200.0
59.29826354980469	152.0
59.447021484375	252.0
59.463905334472656	160.0
59.621124267578125	224.0
59.786643981933594	132.0
59.85129928588867	148.0
59.892879486083984	144.0
60.08711624145508	152.0
60.16736602783203	200.0
60.300209045410156	164.0
60.414634704589844	240.0
60.563236236572266	176.0
60.611263275146484	236.0
60.64380645751953	144.0
60.760108947753906	140.0
60.976844787597656	180.0
61.27446365356445	224.0
61.37758255004883	172.0
61.4774169921875	152.0
61.71731185913086	136.0
61.918277740478516	164.0
62.11106491088867	172.0
62.455055236816406	156.0
62.47917556762695	108.0
62.57780075073242	140.0
62.80472946166992	160.0
62.93255615234375	208.0
63.12216567993164	188.0
63.161705017089844	160.0
63.207584381103516	160.0
63.25319290161133	220.0
63.30097961425781	248.0
63.45943069458008	184.0
64.01557159423828	196.0
64.18926239013672	192.0
64.38188171386719	188.0
64.63972473144531	152.0
64.94572448730469	248.0
64.98422241210938	192.0
65.22511291503906	184.0
65.29193115234375	200.0
65.46000671386719	160.0
65.62596893310547	184.0
65.75820922851562	152.0
65.86319732666016	196.0
65.89298248291016	184.0
65.99571990966797	160.0
66.07810974121094	212.0
66.1558837890625	164.0
66.38584899902344	172.0
66.77410125732422	156.0
66.87496948242188	228.0
67.01502227783203	236.0
67.3543472290039	148.0
67.42950439453125	236.0
67.5995864868164	144.0
67.74202728271484	144.0
67.80265045166016	188.0
67.95285034179688	188.0
67.97135925292969	196.0
68.02079772949219	248.0
68.10453796386719	144.0
68.14396667480469	160.0
68.23107147216797	212.0
68.33139038085938	176.0
68.3494873046875	204.0
68.52566528320312	152.0
68.73011779785156	164.0
68.75982666015625	204.0
68.90348052978516	148.0
69.0224838256836	176.0
69.04232788085938	164.0
69.0605239868164	180.0
69.12377166748047	160.0
69.34696197509766	224.0
69.40166473388672	204.0
69.58084869384766	172.0
69.7265396118164	136.0
69.86836242675781	172.0
69.94990539550781	144.0
70.20482635498047	232.0
70.40508270263672	208.0
70.45674896240234	144.0
70.48192596435547	228.0
70.73445892333984	196.0
70.8047866821289	220.0
70.86918640136719	144.0
70.95223999023438	184.0
70.98409271240234	152.0
71.00421905517578	168.0
71.18546295166016	196.0
71.2492904663086	172.0
71.26272583007812	228.0
71.41570281982422	188.0
71.50151062011719	184.0
71.69349670410156	192.0
71.76092529296875	156.0
71.84355926513672	196.0
72.01539611816406	140.0
72.09514617919922	168.0
72.14077758789062	140.0
72.15430450439453	196.0
72.44471740722656	132.0
72.47248840332031	192.0
72.52333068847656	164.0
72.84270477294922	184.0
72.90907287597656	172.0
72.94088745117188	144.0
72.99699401855469	148.0
73.0105972290039	160.0
73.17906188964844	160.0
73.19949340820312	164.0
73.31192016601562	212.0
73.369873046875	184.0
73.4346694946289	184.0
73.54727935791016	176.0
73.63094329833984	224.0
73.67877197265625	192.0
73.76079559326172	184.0
73.85566711425781	140.0
73.92435455322266	240.0
74.47016143798828	144.0
74.50624084472656	168.0
74.53028869628906	208.0
74.57840728759766	172.0
74.6093521118164	156.0
74.65061950683594	236.0
74.8364486694336	144.0
75.17257690429688	220.0
75.28478240966797	152.0
75.32623291015625	208.0
75.3988037109375	140.0
75.56480407714844	176.0
75.67729949951172	140.0
75.7955322265625	140.0
75.93376922607422	140.0
75.9962158203125	148.0
76.00836181640625	260.0
76.05925750732422	208.0
76.0899429321289	144.0
76.18545532226562	152.0
76.2341079711914	204.0
76.40624237060547	176.0
76.78074645996094	200.0
76.81890106201172	192.0
77.15441131591797	168.0
77.21910858154297	144.0
77.30657958984375	172.0
77.38185119628906	144.0
77.70967102050781	192.0
77.751708984375	148.0
77.7833023071289	180.0
77.8245849609375	152.0
77.93082427978516	180.0
78.01612091064453	172.0
78.06922149658203	120.0
78.29318237304688	156.0
78.60697174072266	148.0
78.71465301513672	156.0
78.7764663696289	168.0
79.11954498291016	188.0
79.40482330322266	140.0
79.56452178955078	192.0
79.749267578125	184.0
79.82571411132812	168.0
79.84527587890625	304.0
79.90575408935547	176.0
79.943115234375	156.0
80.66973114013672	236.0
80.72445678710938	212.0
80.9481430053711	156.0
81.05561828613281	228.0
81.14702606201172	152.0
81.26361083984375	140.0
81.61466217041016	124.0
81.7325668334961	140.0
81.78295135498047	144.0
81.87657165527344	148.0
81.98470306396484	212.0
82.12348937988281	188.0
82.25521087646484	144.0
82.294921875	204.0
82.30756378173828	160.0
82.48100280761719	184.0
82.51535034179688	180.0
82.79581451416016	176.0
82.89907836914062	192.0
83.05160522460938	152.0
83.07857513427734	212.0
83.4763412475586	188.0
83.82584381103516	140.0
84.1888656616211	144.0
84.33883666992188	228.0
84.84391021728516	164.0
85.07505798339844	156.0
85.18708038330078	176.0
85.20361328125	160.0
85.28997802734375	180.0
85.47388458251953	208.0
85.50517272949219	240.0
85.70404815673828	140.0
85.79251861572266	208.0
86.13390350341797	168.0
86.24846649169922	176.0
86.3316650390625	140.0
86.35015869140625	168.0
86.90218353271484	168.0
87.0321044921875	224.0
87.24576568603516	192.0
87.3871078491211	224.0
87.54142761230469	168.0
87.72605895996094	144.0
87.74842834472656	152.0
87.96856689453125	180.0
88.05072021484375	240.0
88.09368133544922	176.0
88.34979248046875	176.0
88.51449584960938	176.0
88.60440063476562	176.0
88.6568603515625	168.0
88.89612579345703	136.0
88.93818664550781	180.0
89.08653259277344	212.0
89.14289855957031	192.0
89.59474182128906	164.0
89.65475463867188	140.0
89.68302917480469	148.0
89.71318817138672	208.0
89.89991760253906	148.0
89.9810791015625	140.0
90.02352142333984	168.0
90.4242935180664	148.0
90.46125793457031	172.0
90.48965454101562	200.0
90.51616668701172	164.0
90.56729888916016	244.0
90.58434295654297	144.0
90.60892486572266	148.0
90.71131134033203	144.0
90.8136978149414	212.0
91.04144287109375	164.0
91.09082794189453	168.0
91.82362365722656	188.0
91.96481323242188	196.0
92.40432739257812	212.0
92.59957885742188	164.0
92.79847717285156	196.0
92.95999145507812	176.0
93.07132720947266	164.0
93.18109893798828	132.0
93.23076629638672	140.0
93.35126495361328	192.0
93.46343994140625	168.0
93.66751098632812	188.0
93.75421142578125	148.0
93.89674377441406	116.0
93.90860748291016	284.0
94.01069641113281	184.0
94.16707611083984	184.0
94.31005096435547	140.0
94.42024993896484	160.0
94.69144439697266	172.0
94.73963165283203	176.0
94.96060180664062	172.0
95.06730651855469	144.0
95.64258575439453	140.0
96.055419921875	168.0
96.12678527832031	124.0
96.27232360839844	176.0
96.31529235839844	304.0
96.50875854492188	140.0
96.61045837402344	156.0
96.7415771484375	160.0
96.7820816040039	152.0
96.9629135131836	160.0
97.19823455810547	232.0
97.4574203491211	168.0
97.52816772460938	176.0
97.7759780883789	156.0
97.86878204345703	112.0
98.27452850341797	172.0
98.49365997314453	220.0
99.1644058227539	140.0
99.352783203125	160.0
99.47184753417969	172.0
99.85134887695312	244.0
100.42427062988281	148.0
100.48080444335938	156.0
100.58058166503906	328.0
100.6464614868164	164.0
100.73233795166016	164.0
100.75032043457031	224.0
100.79827117919922	228.0
101.30845642089844	168.0
101.39462280273438	184.0
101.82344055175781	172.0
101.94914245605469	192.0
102.24614715576172	140.0
102.31056213378906	176.0
102.3427734375	164.0
102.80033874511719	152.0
102.89028930664062	192.0
102.93760681152344	188.0
103.02647399902344	140.0
103.09113311767578	140.0
103.26702117919922	268.0
103.6395034790039	140.0
103.66178894042969	168.0
103.71853637695312	180.0
104.01265716552734	160.0
104.04716491699219	204.0
104.15479278564453	224.0
104.19043731689453	168.0
104.41088104248047	156.0
104.48004150390625	188.0
104.60010528564453	240.0
104.61638641357422	148.0
104.64896392822266	176.0
104.69580078125	176.0
104.79357147216797	160.0
105.03369140625	2716.0
105.2933349609375	152.0
105.323974609375	216.0
105.48921203613281	176.0
105.6101303100586	152.0
105.69196319580078	148.0
105.85162353515625	176.0
106.03569030761719	296.0
106.04072570800781	288.0
106.30670166015625	140.0
106.43535614013672	260.0
106.481201171875	168.0
107.045654296875	340.0
107.2238998413086	180.0
107.46310424804688	224.0
107.57247924804688	156.0
107.60138702392578	180.0
107.69050598144531	152.0
108.03744506835938	168.0
108.07675170898438	160.0
108.09537506103516	204.0
108.17816162109375	176.0
108.46609497070312	200.0
108.6548080444336	184.0
108.73988342285156	160.0
109.03895568847656	184.0
109.10338592529297	188.0
109.24063873291016	180.0
109.84860229492188	164.0
110.2832260131836	156.0
110.29785919189453	164.0
110.34593963623047	140.0
110.39710235595703	128.0
110.48187255859375	160.0
110.5634765625	144.0
110.90067291259766	220.0
111.30766296386719	152.0
111.82060241699219	168.0
112.10491180419922	144.0
112.24192810058594	144.0
112.36479187011719	144.0
112.48665618896484	156.0
113.2203369140625	168.0
113.2457504272461	140.0
113.51701354980469	236.0
113.74827575683594	156.0
113.79710388183594	212.0
113.84062957763672	160.0
113.87355041503906	164.0
114.14131164550781	248.0
114.30509948730469	180.0
114.51372528076172	232.0
114.5627212524414	168.0
114.59166717529297	116.0
115.24542999267578	144.0
115.56828308105469	192.0
115.58968353271484	192.0
115.83589172363281	184.0
116.12249755859375	252.0
116.2475357055664	208.0
116.33071899414062	164.0
116.43159484863281	244.0
116.61329650878906	192.0
116.73731231689453	140.0
116.92044830322266	156.0
116.98043823242188	180.0
117.13639831542969	160.0
117.2841567993164	144.0
117.35530090332031	140.0
117.38764190673828	172.0
117.48470306396484	204.0
117.79339599609375	144.0
118.05274963378906	168.0
118.20850372314453	184.0
118.41301727294922	196.0
118.50297546386719	160.0
118.76962280273438	172.0
118.81503295898438	124.0
118.98011016845703	164.0
119.01919555664062	240.0
119.09519958496094	168.0
119.21686553955078	188.0
119.25776672363281	156.0
119.35350036621094	216.0
119.45167541503906	176.0
119.7498779296875	144.0
119.9045639038086	160.0
120.0593490600586	140.0
120.41071319580078	168.0
120.45220947265625	168.0
120.6519546508789	188.0
121.41085815429688	140.0
121.51615142822266	168.0
121.55077362060547	156.0
121.68075561523438	176.0
121.74882507324219	168.0
121.7993392944336	160.0
121.81471252441406	164.0
121.84327697753906	304.0
122.0722885131836	140.0
122.26544952392578	156.0
122.3534927368164	148.0
122.48562622070312	144.0
122.583984375	204.0
122.64647674560547	152.0
122.69888305664062	212.0
122.81116485595703	104.0
123.03250885009766	156.0
123.15837097167969	232.0
123.46805572509766	168.0
123.73110961914062	140.0
123.94373321533203	200.0
123.97032165527344	228.0
124.03459167480469	144.0
124.09445190429688	176.0
124.30072784423828	188.0
124.58492279052734	168.0
124.71824645996094	192.0
124.8116226196289	228.0
124.8427505493164	148.0
124.90177154541016	172.0
124.96954345703125	212.0
125.0518798828125	200.0
125.15428161621094	144.0
125.25003814697266	156.0
125.27899932861328	196.0
125.45059204101562	276.0
125.66567993164062	216.0
125.76956939697266	160.0
125.90352630615234	156.0
126.05767059326172	164.0
126.54304504394531	228.0
126.71239471435547	224.0
126.83650970458984	148.0
126.91722106933594	176.0
127.10563659667969	208.0
127.14154052734375	152.0
127.33146667480469	144.0
127.63124084472656	140.0
127.6987075805664	180.0
127.7481918334961	184.0
128.23455810546875	144.0
128.81895446777344	144.0
129.31187438964844	176.0
129.57681274414062	160.0
129.81707763671875	152.0
130.2869110107422	140.0
130.35279846191406	176.0
130.54885864257812	196.0
130.8167724609375	148.0
131.16529846191406	140.0
131.3271942138672	156.0
131.45494079589844	168.0
131.53482055664062	148.0
131.6033172607422	248.0
132.04205322265625	152.0
132.1198272705078	192.0
132.3029022216797	216.0
132.34640502929688	164.0
132.3853302001953	140.0
132.45632934570312	176.0
132.5250701904297	164.0
132.58692932128906	196.0
132.70384216308594	168.0
132.88502502441406	156.0
133.04782104492188	196.0
133.3580780029297	168.0
133.42018127441406	212.0
133.912841796875	132.0
133.95172119140625	148.0
134.03236389160156	148.0
134.04849243164062	188.0
134.07383728027344	196.0
134.1907501220703	144.0
134.22329711914062	192.0
134.3251495361328	188.0
134.35760498046875	124.0
134.38400268554688	316.0
134.41282653808594	204.0
134.4709930419922	136.0
134.48699951171875	196.0
134.53038024902344	120.0
134.54725646972656	148.0
134.57456970214844	164.0
134.61672973632812	228.0
134.64071655273438	152.0
134.7129669189453	148.0
134.7625274658203	256.0
134.80120849609375	208.0
134.82997131347656	300.0
134.8710479736328	300.0
134.9144744873047	400.0
134.95448303222656	348.0
134.97373962402344	548.0
135.01895141601562	716.0
135.04571533203125	315472.0
135.12997436523438	356.0
135.16790771484375	180.0
135.2073516845703	268.0
135.24073791503906	228.0
135.2682342529297	268.0
135.33335876464844	156.0
135.36280822753906	176.0
135.4020538330078	1192.0
135.4256591796875	8260.0
135.45555114746094	728.0
135.4909210205078	168.0
135.53321838378906	180.0
135.58670043945312	116.0
135.630615234375	220.0
135.6549530029297	328.0
135.710205078125	152.0
135.76943969726562	132.0
135.82106018066406	164.0
135.8704071044922	184.0
135.93861389160156	120.0
135.9582061767578	172.0
135.98928833007812	180.0
136.012939453125	140.0
136.04830932617188	40564.0
136.14015197753906	104.0
136.16061401367188	208.0
136.18731689453125	96.0
136.28265380859375	112.0
136.30624389648438	144.0
136.39573669433594	148.0
136.47183227539062	124.0
136.5293731689453	136.0
136.60853576660156	96.0
136.6713409423828	132.0
136.74945068359375	128.0
136.8345489501953	128.0
136.86456298828125	188.0
136.90756225585938	276.0
136.95053100585938	184.0
136.96629333496094	172.0
136.98663330078125	160.0
137.0231170654297	412.0
137.05029296875	2604.0
137.08175659179688	308.0
137.11180114746094	164.0
137.15350341796875	156.0
137.2135772705078	220.0
137.2652130126953	100.0
137.8363037109375	100.0
137.9468536376953	148.0
137.98963928222656	108.0
138.0470733642578	124.0
138.1067352294922	144.0
138.72726440429688	160.0
139.4337615966797	200.0
141.58062744140625	140.0
141.94793701171875	140.0
143.14794921875	144.0
143.30238342285156	120.0
143.32659912109375	228.0
143.48484802246094	132.0
143.59140014648438	100.0
145.11793518066406	176.0
145.66160583496094	164.0
146.07008361816406	392.0
147.0726318359375	164.0
148.0808563232422	144.0
148.58990478515625	168.0
149.7386474609375	180.0
149.8517303466797	164.0
151.07484436035156	168.0
151.1482391357422	200.0
153.32325744628906	124.0
156.3727264404297	204.0
159.2530059814453	164.0
160.22398376464844	200.0
160.36761474609375	144.0
160.5657196044922	216.0
162.2540283203125	212.0
162.58309936523438	228.0
162.7963409423828	140.0
163.097900390625	19336.0
163.2130889892578	140.0
164.10140991210938	1880.0
164.88653564453125	180.0
165.10177612304688	172.0
165.3380126953125	148.0
169.9766387939453	208.0
174.2850799560547	232.0
174.93731689453125	144.0
177.67514038085938	168.0
179.0200653076172	176.0
180.31393432617188	216.0
183.0421905517578	148.0
183.3492889404297	160.0
188.40713500976562	140.0
191.7327423095703	140.0
192.2953643798828	196.0
193.91758728027344	140.0
198.15731811523438	172.0
201.34716796875	152.0
201.88412475585938	148.0
203.8969268798828	160.0
205.72271728515625	176.0
208.49818420410156	220.0
215.0904083251953	180.0
217.02708435058594	164.0
222.00460815429688	148.0
222.76443481445312	144.0
223.85595703125	160.0
223.94827270507812	140.0
226.22360229492188	168.0
229.1366424560547	148.0
230.35238647460938	204.0
231.1929168701172	284.0
233.91542053222656	176.0
236.83453369140625	148.0
239.21426391601562	144.0
239.928955078125	156.0
241.28115844726562	168.0
241.34608459472656	176.0
242.95968627929688	208.0
243.08999633789062	168.0
244.10888671875	152.0
246.4248046875	168.0
246.6404266357422	152.0
247.32542419433594	164.0
247.7105712890625	172.0
249.40814208984375	220.0
251.2404327392578	156.0
257.2513732910156	156.0
261.93853759765625	148.0
262.2027587890625	144.0
263.0488586425781	144.0
265.0378112792969	176.0
265.0928955078125	144.0
265.1479797363281	172.0
266.2355651855469	116.0
270.9251708984375	180.0
271.42333984375	152.0
274.1055603027344	140.0
276.4137268066406	144.0
276.4633483886719	152.0
277.6990966796875	148.0
277.76544189453125	172.0
278.8877258300781	164.0
281.0523681640625	160.0
282.3150329589844	192.0
282.38525390625	236.0
283.516845703125	200.0
284.2076110839844	176.0
285.2587890625	148.0
285.52105712890625	172.0
287.3636169433594	172.0
290.01483154296875	152.0
291.117431640625	176.0
291.3653869628906	196.0
293.24371337890625	176.0
293.3221130371094	156.0
294.6905822753906	232.0
295.53167724609375	164.0
296.2266540527344	200.0
297.24346923828125	156.0
297.5091857910156	164.0
297.54351806640625	144.0
297.8106384277344	124.0
297.9375305175781	148.0
298.0647277832031	132.0
298.1313171386719	216.0
298.22247314453125	116.0
298.31988525390625	160.0
298.59735107421875	232.0
298.6351013183594	96.0
298.6730651855469	176.0
298.7153625488281	160.0
298.7586975097656	120.0
298.8150329589844	168.0
298.9018249511719	336.0
298.9443664550781	184.0
298.99200439453125	228.0
299.0529479980469	232.0
299.1522521972656	133304.0
299.2583923339844	208.0
299.2918395996094	104.0
299.3210754394531	228.0
299.3827209472656	108.0
299.4775085449219	164.0
299.525146484375	188.0
299.6148986816406	148.0
299.64935302734375	128.0
299.6724853515625	288.0
299.717529296875	1588.0
299.784423828125	172.0
299.8968200683594	96.0
299.9468994140625	276.0
299.97113037109375	300.0
300.0574951171875	136.0
300.1540222167969	30876.0
300.235107421875	176.0
300.4942321777344	132.0
300.7919921875	112.0
301.029296875	144.0
301.09283447265625	128.0
301.1552429199219	2932.0
301.2708740234375	232.0
301.4174499511719	96.0
301.6383972167969	164.0
301.7972717285156	200.0
301.8320617675781	116.0
301.884765625	96.0
301.92230224609375	160.0
301.9720153808594	184.0
301.9998779296875	144.0
302.0527648925781	100.0
302.16864013671875	324.0
302.28277587890625	104.0
302.3226318359375	180.0
302.46966552734375	140.0
303.178466796875	104.0
304.27496337890625	96.0
312.1890563964844	96.0
320.13226318359375	164.0
339.01177978515625	168.0
350.1392822265625	164.0
354.57012939453125	144.0
517.4490966796875	144.0
571.4612426757812	140.0
708.2907104492188	148.0
777.5580444335938	160.0
928.8095092773438	224.0
939.320556640625	208.0
962.4331665039062	140.0
1017.1799926757812	172.0
1024.2572021484375	172.0
1040.3525390625	192.0
1076.828125	148.0
1091.599609375	228.0
1093.3890380859375	256.0
1094.2381591796875	180.0
1105.30029296875	152.0
1106.7564697265625	192.0
1109.393310546875	148.0
1119.1629638671875	244.0
1122.837890625	148.0
1123.0714111328125	212.0
1140.7825927734375	160.0
1147.27197265625	188.0
1150.4561767578125	196.0
1158.83544921875	180.0
1159.702880859375	248.0
1165.029541015625	212.0
1166.4566650390625	148.0
1174.3883056640625	148.0
1175.8150634765625	188.0
1183.2247314453125	228.0
1187.745849609375	196.0
1193.701904296875	172.0
1195.855224609375	192.0
1197.493896484375	232.0
1202.492431640625	200.0
1209.4593505859375	168.0
1221.0184326171875	220.0
1232.192138671875	248.0
1236.1217041015625	180.0
1236.2056884765625	192.0
1236.310546875	152.0
1237.5426025390625	256.0
1239.826171875	184.0
1242.1328125	152.0
1248.2008056640625	156.0
1248.2711181640625	276.0
1249.234619140625	144.0
1250.381591796875	176.0
1254.424560546875	160.0
1259.1448974609375	160.0
1259.4697265625	228.0
1267.07421875	184.0
1268.6971435546875	196.0
1275.7606201171875	176.0
1276.8414306640625	192.0
1283.0291748046875	172.0
1284.1273193359375	168.0
1288.6673583984375	148.0
1290.0751953125	140.0
1290.4326171875	148.0
1290.804443359375	164.0
1293.4300537109375	168.0
1293.501708984375	180.0
1295.578369140625	148.0
1295.707275390625	216.0
1296.366455078125	176.0
1306.8931884765625	228.0
1308.0086669921875	180.0
1312.2158203125	176.0
1314.899169921875	164.0
1319.3992919921875	184.0
1319.7535400390625	172.0
1324.6240234375	160.0
1326.3341064453125	196.0
1335.0755615234375	240.0
1340.323974609375	200.0
1350.037841796875	160.0
1354.31396484375	168.0
1356.4755859375	176.0
1357.5972900390625	184.0
1360.0625	140.0
1366.0584716796875	168.0
1379.0655517578125	148.0
1382.082763671875	152.0
1383.2890625	148.0
1385.8736572265625	236.0
1386.4219970703125	184.0
1387.289306640625	168.0
1388.690673828125	164.0
1392.77294921875	168.0
1393.98388671875	192.0
1397.5233154296875	260.0
1398.21533203125	156.0
1400.53076171875	200.0
1403.17626953125	160.0
1405.1600341796875	160.0
1409.2440185546875	152.0
1411.2620849609375	284.0
1418.853759765625	156.0
1419.041259765625	168.0
1419.9710693359375	172.0
1421.756591796875	176.0
1426.5206298828125	144.0
1429.406494140625	140.0
1429.5301513671875	100.0
1433.615966796875	176.0
1438.0731201171875	256.0
1439.817138671875	240.0
1440.043701171875	156.0
1441.229736328125	208.0
1446.9215087890625	180.0
1461.4820556640625	160.0
1465.5174560546875	156.0
1466.706298828125	156.0
1467.88037109375	140.0
1470.031494140625	148.0
1471.9703369140625	252.0
1472.1231689453125	140.0
1472.22998046875	148.0
1475.1639404296875	152.0
1476.1578369140625	224.0
1476.4866943359375	176.0
1478.1160888671875	180.0
1484.274658203125	152.0
1487.1361083984375	176.0
1490.945556640625	324.0
1492.7674560546875	204.0
1493.390380859375	172.0
1494.21337890625	200.0
1495.3369140625	224.0
1498.894775390625	240.0
1499.5574951171875	192.0
1504.0386962890625	204.0
1504.4246826171875	156.0
1506.7337646484375	156.0
1511.3416748046875	176.0
1512.6624755859375	148.0
1516.7860107421875	180.0
1516.925537109375	156.0
1518.50732421875	340.0
1523.98779296875	164.0
1524.194580078125	248.0
1525.33251953125	160.0
1530.700439453125	172.0
1531.7752685546875	200.0
1534.4404296875	140.0
1545.9615478515625	152.0
1546.4547119140625	164.0
1546.8929443359375	168.0
1550.927001953125	156.0
1553.2578125	196.0
1554.260009765625	160.0
1554.6895751953125	256.0
1557.117431640625	144.0
1557.8714599609375	176.0
1559.6080322265625	148.0
1562.903076171875	180.0
1563.3280029296875	156.0
1564.3511962890625	172.0
1564.9495849609375	144.0
1565.9969482421875	140.0
1569.6378173828125	200.0
1571.649169921875	144.0
1572.9986572265625	152.0
1573.2197265625	164.0
1575.28076171875	172.0
1576.92431640625	140.0
1578.110107421875	156.0
1579.26318359375	156.0
1580.0635986328125	148.0
1580.21484375	172.0
1581.7491455078125	152.0
1584.124755859375	248.0
1584.2276611328125	264.0
1584.3306884765625	160.0
1586.330078125	180.0
1587.4693603515625	156.0
1587.7945556640625	168.0
1592.7642822265625	156.0
1593.6051025390625	140.0
1593.899169921875	144.0
1595.592041015625	212.0
1598.2803955078125	176.0
1601.49658203125	176.0
1605.7286376953125	164.0
1606.7816162109375	160.0
1607.411865234375	188.0
1608.728759765625	144.0
1610.58935546875	168.0
1611.1405029296875	144.0
1611.4920654296875	148.0
1611.6038818359375	144.0
1612.5069580078125	188.0
1612.69873046875	168.0
1617.2017822265625	176.0
1617.3538818359375	148.0
1619.3955078125	148.0
1620.3087158203125	164.0
1620.8134765625	160.0
1621.2943115234375	160.0
1621.68701171875	140.0
1622.4244384765625	148.0
1622.5955810546875	184.0
1623.6593017578125	184.0
1624.320068359375	164.0
1624.5335693359375	192.0
1625.1673583984375	184.0
1628.587158203125	220.0
1629.6395263671875	156.0
1630.0172119140625	140.0
1630.7001953125	168.0
1632.1151123046875	148.0
1632.420654296875	160.0
1634.9144287109375	244.0
1640.7056884765625	232.0
1641.92333984375	180.0
1642.633056640625	184.0
1643.173583984375	168.0
1647.0565185546875	208.0
1647.2099609375	156.0
1650.8065185546875	204.0
1652.14111328125	164.0
1652.85302734375	156.0
1653.78369140625	236.0
1654.3826904296875	140.0
1661.1898193359375	164.0
1661.919921875	172.0
1662.59814453125	208.0
1666.50732421875	184.0
1667.2305908203125	152.0
1669.4661865234375	176.0
1669.7344970703125	248.0
1670.71875	164.0
1672.704345703125	148.0
1674.202392578125	192.0
1674.87841796875	160.0
1675.2042236328125	208.0
1675.59521484375	180.0
1677.3310546875	196.0
1677.8853759765625	168.0
1682.576416015625	148.0
1683.041748046875	212.0
1685.091796875	192.0
1685.68017578125	148.0
1686.5872802734375	160.0
1690.0301513671875	196.0
1691.986328125	196.0
1695.803466796875	192.0
1696.0821533203125	180.0
1698.287841796875	148.0
1700.9544677734375	168.0
1701.1761474609375	152.0
1701.6851806640625	192.0
1702.030029296875	164.0
1702.2763671875	160.0
1702.3973388671875	168.0
1704.9708251953125	140.0
1708.819091796875	148.0
1711.9552001953125	232.0
1712.5069580078125	200.0
1713.3388671875	160.0
1714.673828125	184.0
1715.8031005859375	156.0
1721.587158203125	152.0
1722.4874267578125	148.0
1726.8680419921875	144.0
1727.6953125	168.0
1729.9296875	172.0
1731.328857421875	156.0
1734.2794189453125	156.0
1738.1761474609375	160.0
1738.707275390625	252.0
1738.9810791015625	256.0
1739.6368408203125	188.0
1739.8858642578125	148.0
1741.0068359375	156.0
1742.709716796875	176.0
1744.6627197265625	180.0
1746.3507080078125	240.0
1747.6900634765625	152.0
1747.931396484375	140.0
1749.9456787109375	164.0
1750.3619384765625	164.0
1751.0198974609375	148.0
1754.5445556640625	164.0
1754.677978515625	180.0
1755.6201171875	224.0
1756.579345703125	196.0
1757.655517578125	160.0
1757.747314453125	196.0
1758.09814453125	96.0
1759.015869140625	152.0
1759.510009765625	148.0
1760.0428466796875	212.0
1760.4185791015625	144.0
1761.8468017578125	156.0
1762.4066162109375	156.0
1763.6851806640625	228.0
1763.986083984375	176.0
1765.2235107421875	168.0
1767.632568359375	224.0
1774.878173828125	164.0
1775.8509521484375	152.0
1776.631103515625	196.0
1777.4281005859375	220.0
1777.8878173828125	200.0
1778.712158203125	140.0
1779.9912109375	108.0
1781.6092529296875	192.0
1781.7269287109375	220.0
1782.735107421875	196.0
1782.9200439453125	200.0
1784.340576171875	164.0
1786.2159423828125	220.0
1790.3568115234375	220.0
1791.5865478515625	180.0
1791.8056640625	156.0
1792.892578125	228.0
1795.1771240234375	208.0
1797.733154296875	140.0
1799.176513671875	176.0
1799.497314453125	212.0
1800.2825927734375	164.0
1801.054931640625	188.0
1804.0255126953125	176.0
1805.27685546875	148.0
1805.581298828125	184.0
1807.0670166015625	208.0
1807.1885986328125	188.0
1808.195556640625	224.0
1808.44091796875	144.0
1813.065185546875	140.0
1815.963623046875	156.0
1816.56689453125	168.0
1816.872314453125	188.0
1820.7852783203125	192.0
1821.33740234375	192.0
1821.4732666015625	192.0
1821.8555908203125	308.0
1821.9150390625	164.0
1822.501220703125	200.0
1823.028076171875	152.0
1823.1640625	172.0
1824.0140380859375	184.0
1824.4815673828125	164.0
1825.113525390625	156.0
1828.5303955078125	176.0
1828.8453369140625	140.0
1829.0836181640625	288.0
1831.4818115234375	136.0
1832.59228515625	140.0
1833.9046630859375	148.0
1835.2344970703125	200.0
1837.375244140625	184.0
1838.0322265625	180.0
1838.3870849609375	136.0
1838.5185546875	176.0
1840.78076171875	204.0
1843.3690185546875	180.0
1844.010009765625	148.0
1847.37890625	184.0
1849.6636962890625	176.0
1850.4512939453125	212.0
1850.8365478515625	152.0
1851.564453125	160.0
1851.7100830078125	164.0
1852.5579833984375	164.0
1854.6866455078125	196.0
1856.6900634765625	188.0
1857.9158935546875	204.0
1858.61083984375	160.0
1858.7481689453125	164.0
1858.89404296875	148.0
1861.563720703125	168.0
1862.38818359375	200.0
1863.5689697265625	188.0
1864.5740966796875	164.0
1867.029296875	168.0
1867.115234375	148.0
1868.1387939453125	156.0
1868.66357421875	140.0
1870.0662841796875	164.0
1870.6429443359375	184.0
1872.2012939453125	184.0
1872.364990234375	148.0
1872.433837890625	156.0
1874.5875244140625	152.0
1874.79443359375	164.0
1875.9837646484375	192.0
1876.3114013671875	152.0
1877.0787353515625	168.0
1878.72607421875	172.0
1879.1143798828125	180.0
1880.210205078125	144.0
1881.185546875	300.0
1881.306396484375	152.0
1886.143798828125	160.0
1887.112060546875	156.0
1887.2244873046875	156.0
1887.2935791015625	216.0
1887.3541259765625	200.0
1889.9403076171875	156.0
1890.165283203125	140.0
1892.3118896484375	168.0
1894.450927734375	212.0
1895.6986083984375	160.0
1896.1492919921875	140.0
1896.5479736328125	172.0
1896.7386474609375	236.0
1897.9610595703125	172.0
1898.377197265625	152.0
1899.01904296875	180.0
1899.5914306640625	172.0
1900.1949462890625	204.0
1900.7540283203125	156.0
1902.3162841796875	144.0
1902.74169921875	156.0
1904.774658203125	112.0
1905.0169677734375	148.0
1908.7366943359375	156.0
1910.2152099609375	156.0
1911.8074951171875	172.0
1914.305908203125	164.0
1915.6123046875	164.0
1918.03466796875	168.0
1919.1439208984375	120.0
1919.4644775390625	140.0
1919.91796875	148.0
1921.9329833984375	176.0
1922.49462890625	200.0
1923.4166259765625	176.0
1924.28955078125	188.0
1925.3897705078125	196.0
1925.9051513671875	212.0
1926.4903564453125	156.0
1928.24658203125	208.0
1930.44970703125	216.0
1931.1668701171875	148.0
1933.6690673828125	144.0
1934.9207763671875	144.0
1935.1781005859375	136.0
1936.269287109375	176.0
1937.0050048828125	164.0
1937.0838623046875	144.0
1937.1715087890625	216.0
1937.5130615234375	156.0
1938.74853515625	172.0
1939.1517333984375	148.0
1939.703857421875	152.0
1941.0628662109375	156.0
1941.41357421875	172.0
1943.5889892578125	160.0
1945.642822265625	192.0
1946.9072265625	180.0
1948.1016845703125	180.0
1950.21826171875	160.0
1950.6939697265625	152.0
1951.046875	144.0
1951.86328125	204.0
1953.059326171875	200.0
1953.82470703125	248.0
1954.8262939453125	120.0
1955.2325439453125	260.0
1955.6197509765625	160.0
1955.9278564453125	152.0
1957.6710205078125	192.0
1962.3587646484375	144.0
1962.658447265625	176.0
1963.0552978515625	184.0
1963.601318359375	100.0
1964.5546875	176.0
1964.66943359375	224.0
1966.0194091796875	172.0
1967.1314697265625	220.0
1967.820068359375	212.0
1971.2294921875	204.0
1971.40625	200.0
1973.2359619140625	168.0
1973.3597412109375	196.0
1973.7044677734375	172.0
1976.9774169921875	168.0
1977.3314208984375	256.0
1978.9619140625	316.0
1979.6243896484375	180.0
1980.98828125	168.0
1981.3270263671875	156.0
1981.7147216796875	140.0
1982.3970947265625	236.0
1982.955322265625	168.0
1983.9180908203125	240.0
1986.7415771484375	144.0
1988.3919677734375	152.0
1988.9866943359375	192.0
1989.0843505859375	156.0
1989.323974609375	212.0
1989.670166015625	212.0
1990.300537109375	164.0
1991.250732421875	144.0
1991.5350341796875	224.0
1991.8458251953125	160.0
1992.05908203125	164.0
1993.42724609375	192.0
1993.86279296875	148.0
1994.236083984375	144.0
1994.324951171875	148.0
1995.0093994140625	148.0
1996.6009521484375	140.0
1998.73291015625	156.0
1999.42333984375	212.0
1999.5902099609375	164.0
2002.6351318359375	152.0
2002.8399658203125	184.0
2003.142822265625	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079198
PEPMASS=231.11496
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_E2_F11_BE2_01_15736.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=TFMPP [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=FC(F)(F)c1cccc(c1)N2CCNCC2
INCHI=InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
INCHIAUX=KKIMDKMETPPURN-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079198
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079198
SCANS=1057
44.97412109375	140.0
44.98880386352539	144.0
45.07562255859375	140.0
45.15315628051758	176.0
45.51095199584961	188.0
45.872982025146484	128.0
45.933536529541016	168.0
45.959171295166016	156.0
46.0415153503418	148.0
46.301177978515625	140.0
46.5444221496582	172.0
46.57651138305664	196.0
46.73556900024414	168.0
46.919437408447266	144.0
46.957618713378906	172.0
47.2198486328125	160.0
47.2786750793457	144.0
47.46086502075195	144.0
47.77400588989258	356.0
47.83612823486328	140.0
48.16411590576172	160.0
48.38399124145508	176.0
48.45185089111328	168.0
48.85584259033203	156.0
48.93934631347656	196.0
49.007598876953125	212.0
49.092628479003906	176.0
49.16098403930664	160.0
49.18191909790039	192.0
49.297550201416016	136.0
49.384517669677734	168.0
49.595943450927734	168.0
49.96469497680664	216.0
50.18240737915039	136.0
50.93077850341797	172.0
50.98192596435547	144.0
51.33211898803711	152.0
51.36920166015625	148.0
51.637733459472656	148.0
51.72072219848633	172.0
51.89119338989258	212.0
51.92991256713867	148.0
52.16108703613281	156.0
52.82585525512695	188.0
52.97785568237305	168.0
53.07351303100586	220.0
53.25926971435547	148.0
53.31011962890625	156.0
53.46281433105469	156.0
53.57493209838867	216.0
53.65216827392578	172.0
53.92074966430664	216.0
54.13726806640625	192.0
54.53612518310547	292.0
54.895355224609375	152.0
54.9766845703125	180.0
55.13322448730469	160.0
55.18791961669922	144.0
55.23080825805664	152.0
55.67692565917969	172.0
56.01902389526367	224.0
56.535709381103516	160.0
56.6494255065918	140.0
57.08618927001953	160.0
57.17193603515625	180.0
57.45219421386719	144.0
57.633365631103516	156.0
58.04521942138672	224.0
58.08300018310547	140.0
58.58464050292969	232.0
58.73097610473633	148.0
58.918739318847656	152.0
59.3365478515625	144.0
59.43992614746094	200.0
59.4627571105957	144.0
59.60975646972656	220.0
59.682003021240234	220.0
59.71583557128906	164.0
59.78352737426758	144.0
59.8096923828125	152.0
60.09324645996094	164.0
60.15960693359375	176.0
60.60037612915039	148.0
60.61896896362305	144.0
61.05830383300781	148.0
61.40249252319336	176.0
61.46489334106445	148.0
61.62480926513672	124.0
62.434566497802734	144.0
62.5831184387207	208.0
62.78891372680664	184.0
63.15361404418945	136.0
63.329444885253906	156.0
63.416587829589844	140.0
63.71509552001953	152.0
63.99323654174805	176.0
64.5293197631836	208.0
64.95369720458984	180.0
64.98738861083984	144.0
65.10938262939453	160.0
65.19888305664062	136.0
65.26043701171875	172.0
65.35694122314453	180.0
65.71676635742188	124.0
65.74851989746094	144.0
66.01730346679688	192.0
66.14289093017578	188.0
66.36321258544922	172.0
66.38211822509766	164.0
66.5010986328125	188.0
66.60664367675781	160.0
66.65038299560547	104.0
67.1535415649414	192.0
67.5864486694336	148.0
67.90425109863281	332.0
68.020751953125	148.0
68.15377807617188	160.0
68.4383316040039	168.0
68.55693054199219	140.0
68.68553161621094	164.0
68.7333755493164	152.0
68.81920623779297	140.0
69.11837768554688	148.0
69.18095397949219	148.0
69.22266387939453	172.0
69.4598159790039	172.0
69.48786163330078	172.0
69.54594421386719	176.0
69.57250213623047	148.0
69.61283874511719	136.0
69.9496078491211	184.0
70.00147247314453	144.0
70.22479248046875	172.0
70.28150939941406	184.0
70.29986572265625	156.0
70.34159088134766	216.0
70.37664794921875	224.0
70.46684265136719	140.0
70.54204559326172	160.0
70.65340423583984	180.0
70.77017211914062	144.0
71.2324447631836	172.0
71.2559585571289	140.0
71.43963623046875	188.0
71.5317611694336	160.0
71.76255798339844	188.0
71.84519958496094	160.0
71.97181701660156	176.0
72.03765106201172	152.0
72.21174621582031	192.0
72.54701232910156	140.0
73.10922241210938	144.0
73.20795440673828	324.0
73.41756439208984	172.0
73.52845764160156	196.0
73.68897247314453	144.0
73.75016784667969	168.0
73.83084869384766	140.0
73.84623718261719	212.0
74.00196075439453	200.0
74.24014282226562	168.0
74.30360412597656	172.0
74.33277130126953	176.0
74.83123779296875	148.0
75.12248992919922	168.0
75.73350524902344	116.0
76.04302215576172	144.0
76.10204315185547	184.0
76.1350326538086	188.0
76.27055358886719	288.0
76.74930572509766	140.0
76.91154479980469	196.0
77.02155303955078	212.0
77.10716247558594	176.0
77.41506958007812	144.0
77.46060180664062	180.0
77.49739074707031	212.0
78.07491302490234	168.0
78.30017852783203	148.0
78.47109985351562	140.0
79.33497619628906	176.0
79.40476989746094	180.0
79.56269836425781	156.0
79.78752899169922	396.0
80.00891876220703	160.0
80.09083557128906	152.0
80.1229019165039	148.0
80.25300598144531	228.0
80.7834243774414	212.0
80.8335189819336	192.0
80.89974212646484	140.0
80.95524597167969	164.0
81.2294692993164	160.0
81.4107437133789	172.0
81.48321533203125	224.0
81.51863098144531	136.0
81.78512573242188	184.0
81.89273071289062	144.0
82.17394256591797	188.0
82.31653594970703	312.0
82.43756866455078	160.0
82.47010040283203	204.0
82.5216064453125	260.0
82.90989685058594	156.0
83.09666442871094	156.0
83.3001480102539	184.0
83.70453643798828	192.0
84.03547668457031	172.0
84.15376281738281	144.0
84.21072387695312	188.0
84.44649505615234	140.0
84.7247314453125	192.0
84.80168914794922	140.0
84.89061737060547	164.0
85.01810455322266	156.0
85.34140014648438	168.0
85.5032730102539	148.0
85.54376983642578	212.0
85.63399505615234	196.0
85.84593200683594	180.0
86.09158325195312	136.0
86.3963394165039	148.0
86.63330078125	172.0
87.10633087158203	208.0
87.46305847167969	128.0
87.73904418945312	196.0
87.85840606689453	140.0
88.23938751220703	200.0
88.35533905029297	156.0
88.43019104003906	200.0
89.01496887207031	256.0
89.0789566040039	160.0
89.38917541503906	164.0
89.73574829101562	256.0
89.77157592773438	164.0
90.03011322021484	176.0
90.13589477539062	144.0
90.15101623535156	204.0
90.37225341796875	156.0
90.52557373046875	148.0
90.64302062988281	164.0
90.75884246826172	192.0
90.87688446044922	140.0
90.9825210571289	192.0
91.05367279052734	180.0
91.27130889892578	144.0
91.38543701171875	164.0
91.6138916015625	208.0
91.85026550292969	180.0
92.10795593261719	160.0
92.21495819091797	152.0
92.2514877319336	216.0
92.3564453125	172.0
92.38896179199219	168.0
92.82743835449219	176.0
92.99063873291016	140.0
93.07894134521484	176.0
93.69441986083984	160.0
94.51691436767578	144.0
94.67758178710938	188.0
95.12741088867188	160.0
95.22449493408203	144.0
95.4713134765625	256.0
95.53862762451172	180.0
95.62305450439453	172.0
95.8692626953125	172.0
96.7258529663086	180.0
97.11610412597656	212.0
97.63623809814453	204.0
98.56076049804688	220.0
98.88839721679688	148.0
98.92862701416016	144.0
99.48368835449219	144.0
99.8507080078125	180.0
99.86917877197266	188.0
100.00447845458984	144.0
100.31122589111328	252.0
100.70830535888672	176.0
100.75823974609375	172.0
100.89749908447266	188.0
100.93612670898438	164.0
101.02468872070312	368.0
101.04400634765625	192.0
101.08815002441406	172.0
101.23828887939453	164.0
101.56697845458984	180.0
101.59104919433594	164.0
101.62114715576172	200.0
101.87812042236328	172.0
102.04828643798828	148.0
102.0894775390625	204.0
102.22193145751953	172.0
102.27862548828125	140.0
102.31659698486328	116.0
103.05509948730469	268.0
103.11238861083984	116.0
103.15169525146484	140.0
103.44556427001953	160.0
103.4915771484375	140.0
103.57257843017578	180.0
103.62120056152344	168.0
103.81403350830078	204.0
103.89476013183594	124.0
104.04865264892578	424.0
104.16487884521484	192.0
104.50234985351562	200.0
104.65339660644531	224.0
104.73667907714844	152.0
104.98929595947266	152.0
105.0564956665039	140.0
105.18301391601562	140.0
105.53643798828125	272.0
105.80855560302734	140.0
105.84950256347656	164.0
105.9355239868164	140.0
106.02772521972656	156.0
106.5154800415039	132.0
106.56124114990234	152.0
106.74774169921875	188.0
107.03018951416016	140.0
107.04666137695312	164.0
107.10021209716797	168.0
107.20116424560547	156.0
107.22406768798828	172.0
107.6983642578125	148.0
107.91211700439453	156.0
108.03323364257812	152.0
108.20500183105469	140.0
108.2217788696289	196.0
108.34790802001953	152.0
108.3665542602539	176.0
108.5925064086914	148.0
108.98484802246094	180.0
109.05134582519531	196.0
109.142822265625	196.0
109.20728302001953	224.0
109.24057006835938	144.0
109.57573699951172	196.0
109.7591552734375	156.0
109.79877471923828	144.0
110.0742416381836	200.0
110.24552917480469	184.0
110.42951202392578	144.0
110.67853546142578	156.0
110.90479278564453	140.0
110.92784881591797	168.0
111.21941375732422	160.0
111.4798355102539	148.0
111.60806274414062	164.0
111.73846435546875	156.0
112.07112121582031	192.0
112.44859313964844	148.0
112.62594604492188	264.0
112.67664337158203	176.0
112.74003601074219	140.0
112.82881164550781	156.0
113.09534454345703	224.0
113.22053527832031	132.0
113.49482727050781	128.0
113.58522033691406	204.0
113.67179107666016	188.0
114.30313110351562	164.0
114.60099029541016	152.0
114.9899673461914	204.0
115.13640594482422	160.0
115.15563201904297	176.0
115.36075592041016	156.0
115.38213348388672	172.0
115.61314392089844	144.0
115.83152770996094	148.0
115.98580932617188	140.0
116.06326293945312	156.0
116.38912963867188	212.0
116.6168441772461	176.0
116.96529388427734	176.0
116.98681640625	160.0
117.01480865478516	172.0
117.05266571044922	564.0
117.26923370361328	176.0
117.32072448730469	172.0
117.49756622314453	144.0
117.62451934814453	164.0
117.93885803222656	112.0
118.03734588623047	196.0
118.06546020507812	5072.0
118.13801574707031	148.0
118.15996551513672	132.0
118.23655700683594	228.0
118.44007873535156	152.0
118.79991149902344	176.0
119.07276916503906	7760.0
119.12670135498047	140.0
119.49728393554688	148.0
119.53644561767578	172.0
119.64374542236328	148.0
119.84632873535156	140.0
120.07571411132812	636.0
120.16615295410156	172.0
120.2708969116211	176.0
120.73407745361328	140.0
120.7800064086914	208.0
120.87845611572266	144.0
121.03146362304688	152.0
121.0454330444336	1012.0
121.56433868408203	148.0
121.64335632324219	156.0
121.6609115600586	144.0
121.91519927978516	188.0
121.96624755859375	312.0
122.04798889160156	464.0
122.24776458740234	188.0
122.91765594482422	152.0
122.94854736328125	216.0
123.05338287353516	160.0
123.20909881591797	144.0
123.3151626586914	144.0
123.47655487060547	156.0
123.50309753417969	156.0
123.98353576660156	140.0
124.17198181152344	156.0
124.48118591308594	288.0
124.74039459228516	140.0
124.79374694824219	180.0
124.8226547241211	168.0
125.01800537109375	340.0
125.65567779541016	164.0
125.67129516601562	180.0
125.9123764038086	152.0
126.06875610351562	160.0
126.09333801269531	200.0
126.17381286621094	156.0
126.45342254638672	156.0
126.87902069091797	180.0
127.0068359375	152.0
127.03634643554688	2416.0
127.07833099365234	216.0
127.18571472167969	144.0
127.3237075805664	196.0
127.61766815185547	160.0
128.0496368408203	596.0
128.08917236328125	172.0
128.36973571777344	144.0
128.39678955078125	200.0
128.53665161132812	348.0
128.6246795654297	188.0
128.66983032226562	212.0
128.7895050048828	148.0
128.84823608398438	168.0
128.90020751953125	176.0
129.00869750976562	144.0
129.0543212890625	312.0
129.4099578857422	120.0
129.4861297607422	168.0
129.67613220214844	148.0
129.9757843017578	172.0
130.06724548339844	500.0
130.18006896972656	216.0
130.35044860839844	168.0
130.4845428466797	216.0
130.6073455810547	172.0
130.72901916503906	192.0
131.02398681640625	140.0
131.06948852539062	212.0
131.63748168945312	164.0
131.72425842285156	148.0
131.93222045898438	140.0
131.97254943847656	180.0
132.06817626953125	224.0
132.67852783203125	192.0
132.76795959472656	156.0
132.85281372070312	164.0
132.94000244140625	176.0
133.0461883544922	568.0
133.5005340576172	148.0
133.63394165039062	200.0
133.94471740722656	188.0
133.9769744873047	240.0
134.50735473632812	192.0
134.79373168945312	196.0
134.837646484375	144.0
134.92306518554688	168.0
134.97402954101562	160.0
134.99021911621094	184.0
135.0521240234375	196.0
135.073486328125	324.0
135.4739532470703	148.0
135.61529541015625	160.0
136.23252868652344	216.0
136.25575256347656	152.0
136.38356018066406	192.0
136.45330810546875	160.0
136.6789093017578	144.0
136.73243713378906	140.0
136.79994201660156	168.0
137.006591796875	108.0
137.29388427734375	160.0
138.17214965820312	156.0
138.27978515625	196.0
138.3336181640625	172.0
138.45303344726562	140.0
138.48114013671875	172.0
138.78343200683594	148.0
139.29843139648438	128.0
139.3772735595703	188.0
139.46658325195312	140.0
140.02999877929688	900.0
140.24566650390625	192.0
141.0198211669922	160.0
141.0515899658203	4448.0
141.83641052246094	160.0
142.04873657226562	480.0
142.25152587890625	156.0
142.6434783935547	220.0
142.66961669921875	156.0
143.05499267578125	164.0
143.07167053222656	176.0
143.1802520751953	152.0
143.26217651367188	172.0
143.45281982421875	148.0
143.67698669433594	192.0
143.87586975097656	180.0
144.07725524902344	452.0
144.20834350585938	116.0
144.27401733398438	196.0
144.549072265625	148.0
144.67591857910156	256.0
144.7904052734375	128.0
144.99209594726562	180.0
145.02659606933594	2632.0
145.06640625	184.0
145.0869598388672	512.0
145.21986389160156	184.0
145.25343322753906	148.0
145.37820434570312	144.0
145.53182983398438	144.0
145.62547302246094	164.0
145.86575317382812	176.0
146.0325469970703	316.0
146.05859375	320.0
146.37579345703125	140.0
146.7068634033203	176.0
146.78062438964844	192.0
146.97840881347656	164.0
147.04054260253906	140.0
147.09243774414062	152.0
147.1787567138672	296.0
147.92579650878906	160.0
148.0229949951172	160.0
148.0557861328125	8048.0
148.29257202148438	132.0
148.50247192382812	144.0
148.64076232910156	360.0
149.01193237304688	192.0
149.0583953857422	1212.0
149.10044860839844	336.0
149.1531982421875	156.0
149.3331298828125	232.0
149.38906860351562	180.0
149.47422790527344	152.0
149.86624145507812	168.0
150.1602325439453	240.0
150.1831512451172	232.0
150.5565643310547	176.0
150.67784118652344	148.0
151.0353240966797	1104.0
151.25827026367188	196.0
151.3439483642578	132.0
151.6011505126953	144.0
151.66732788085938	216.0
151.6869354248047	164.0
152.2783203125	184.0
152.5532684326172	248.0
152.67640686035156	152.0
153.0390167236328	144.0
153.2203826904297	180.0
153.57041931152344	148.0
154.0146942138672	144.0
154.04556274414062	528.0
154.19505310058594	160.0
154.33348083496094	192.0
155.01666259765625	144.0
155.05874633789062	224.0
155.51515197753906	220.0
156.0169219970703	268.0
156.12632751464844	156.0
156.253173828125	180.0
156.27557373046875	156.0
156.37950134277344	136.0
156.4647216796875	160.0
157.1600799560547	140.0
157.1825408935547	168.0
157.2349395751953	164.0
157.73947143554688	196.0
157.76446533203125	216.0
158.01329040527344	148.0
158.07376098632812	176.0
158.16970825195312	144.0
158.74343872070312	140.0
158.89895629882812	148.0
159.04261779785156	708.0
159.20016479492188	144.0
159.59214782714844	208.0
159.76568603515625	180.0
159.91163635253906	140.0
160.0376434326172	2388.0
161.045166015625	1408.0
161.17442321777344	96.0
161.2782440185547	120.0
161.89598083496094	188.0
162.05287170410156	1132.0
162.3115692138672	176.0
162.3419952392578	168.0
162.58554077148438	168.0
162.6261444091797	152.0
163.05027770996094	148.0
163.16212463378906	164.0
163.1875457763672	236.0
163.253662109375	156.0
163.4608917236328	164.0
164.1398162841797	172.0
164.71250915527344	132.0
165.04627990722656	192.0
165.26370239257812	144.0
165.35325622558594	200.0
165.69017028808594	156.0
165.73245239257812	160.0
165.89883422851562	204.0
166.0472412109375	5656.0
166.1993408203125	168.0
166.23739624023438	212.0
166.779296875	192.0
166.88983154296875	140.0
167.05418395996094	588.0
167.16635131835938	124.0
167.19561767578125	128.0
167.28346252441406	160.0
167.30662536621094	200.0
167.70846557617188	140.0
167.8347930908203	180.0
167.8708953857422	200.0
167.89410400390625	240.0
168.06277465820312	10056.0
168.1237030029297	164.0
168.36378479003906	144.0
168.3896026611328	156.0
168.8677520751953	140.0
168.94534301757812	152.0
169.02037048339844	176.0
169.0674591064453	260.0
169.12010192871094	164.0
169.17308044433594	172.0
169.22744750976562	200.0
169.38800048828125	140.0
169.85501098632812	184.0
170.07627868652344	200.0
170.34779357910156	192.0
170.5794677734375	176.0
171.04086303710938	576.0
171.08473205566406	176.0
171.1395721435547	156.0
171.4744415283203	176.0
171.5640106201172	176.0
171.6673583984375	240.0
171.79776000976562	140.0
171.9256134033203	200.0
172.03662109375	4136.0
172.37477111816406	196.0
172.71463012695312	200.0
173.03968811035156	700.0
173.2500762939453	132.0
173.50546264648438	168.0
173.8104248046875	160.0
174.05271911621094	6888.0
174.1050262451172	96.0
174.12277221679688	172.0
174.27090454101562	148.0
174.36642456054688	144.0
174.52151489257812	144.0
174.79771423339844	224.0
174.94509887695312	176.0
175.055908203125	300.0
175.3006591796875	140.0
175.4930877685547	228.0
175.58009338378906	292.0
176.06658935546875	224.0
176.57310485839844	144.0
177.11834716796875	156.0
177.32765197753906	204.0
177.53146362304688	160.0
178.29104614257812	208.0
178.55955505371094	176.0
178.817626953125	140.0
179.05287170410156	192.0
179.1637725830078	184.0
179.3076629638672	144.0
179.43560791015625	156.0
179.6131591796875	188.0
180.06007385253906	160.0
180.2111358642578	220.0
180.6828155517578	200.0
180.80857849121094	184.0
180.8406982421875	184.0
181.2611541748047	168.0
181.80282592773438	264.0
182.04443359375	156.0
182.08924865722656	128.0
182.4420928955078	156.0
182.5550079345703	156.0
182.68679809570312	148.0
182.7352294921875	144.0
182.86708068847656	144.0
182.9290008544922	168.0
183.03257751464844	168.0
183.28179931640625	164.0
183.33737182617188	212.0
183.72396850585938	268.0
183.8514862060547	124.0
183.91555786132812	184.0
184.5233612060547	148.0
184.58554077148438	164.0
184.61257934570312	144.0
184.79110717773438	192.0
184.83609008789062	140.0
184.99407958984375	144.0
185.044677734375	452.0
185.26217651367188	144.0
186.05343627929688	7596.0
186.11648559570312	144.0
186.15676879882812	96.0
186.5212860107422	140.0
187.05816650390625	1304.0
187.1302947998047	180.0
187.1846160888672	132.0
187.39756774902344	144.0
187.4518585205078	104.0
187.50384521484375	240.0
187.55130004882812	212.0
187.6504364013672	164.0
187.689208984375	360.0
187.72683715820312	280.0
187.771484375	164.0
187.8595733642578	344.0
187.91831970214844	144.0
187.94187927246094	180.0
187.97251892089844	276.0
188.01556396484375	432.0
188.06936645507812	171912.0
188.1696319580078	96.0
188.20884704589844	108.0
188.238525390625	180.0
188.26974487304688	212.0
188.3243865966797	132.0
188.38421630859375	380.0
188.4672393798828	148.0
188.51783752441406	464.0
188.66156005859375	140.0
188.73277282714844	116.0
188.88232421875	120.0
189.07199096679688	13680.0
189.15054321289062	120.0
189.18954467773438	192.0
189.34774780273438	140.0
189.46388244628906	136.0
189.50340270996094	112.0
189.6109619140625	176.0
189.90951538085938	148.0
189.95077514648438	128.0
189.99209594726562	164.0
190.07403564453125	656.0
190.10870361328125	104.0
190.21546936035156	176.0
190.23960876464844	156.0
190.2902069091797	160.0
190.46983337402344	116.0
190.4900665283203	140.0
190.59454345703125	132.0
190.67327880859375	104.0
190.76101684570312	164.0
190.9947509765625	156.0
191.81906127929688	252.0
191.86700439453125	136.0
192.40011596679688	180.0
192.57684326171875	180.0
192.86695861816406	144.0
192.93882751464844	144.0
193.137939453125	184.0
193.46722412109375	148.0
193.54751586914062	232.0
193.7477264404297	152.0
194.07559204101562	440.0
194.29029846191406	156.0
194.36798095703125	172.0
194.70211791992188	164.0
194.89553833007812	144.0
195.07896423339844	164.0
195.92218017578125	232.0
196.08013916015625	168.0
196.5930633544922	104.0
196.75563049316406	200.0
196.96267700195312	144.0
197.2868194580078	176.0
198.0524139404297	416.0
198.10507202148438	116.0
198.18521118164062	180.0
198.50474548339844	164.0
198.90032958984375	152.0
199.0538787841797	364.0
199.2264404296875	152.0
199.67298889160156	276.0
199.75567626953125	100.0
199.81082153320312	152.0
200.0684814453125	3060.0
200.1485595703125	168.0
200.33497619628906	128.0
200.48095703125	192.0
200.52142333984375	268.0
200.55422973632812	160.0
201.0195770263672	180.0
201.06298828125	1156.0
201.87425231933594	108.0
202.08273315429688	956.0
202.13009643554688	184.0
202.28782653808594	256.0
202.86817932128906	112.0
203.0903778076172	172.0
203.19744873046875	96.0
203.98135375976562	144.0
204.35850524902344	152.0
204.4684295654297	236.0
204.7246551513672	168.0
205.6854705810547	180.0
205.83677673339844	192.0
206.14242553710938	156.0
206.25674438476562	168.0
206.47689819335938	152.0
206.5941619873047	148.0
207.36155700683594	140.0
208.63314819335938	152.0
208.72802734375	140.0
209.11318969726562	180.0
209.14706420898438	224.0
209.74717712402344	172.0
209.84518432617188	156.0
210.17111206054688	184.0
210.3817901611328	168.0
210.8699493408203	152.0
211.04627990722656	212.0
211.10411071777344	1292.0
211.7494659423828	176.0
211.8617706298828	172.0
212.06414794921875	600.0
212.1030731201172	368.0
212.2653045654297	156.0
212.9501953125	160.0
213.0741424560547	208.0
213.49656677246094	140.0
213.82821655273438	140.0
214.0836639404297	2760.0
214.37863159179688	172.0
214.45440673828125	164.0
215.0905303955078	604.0
215.72122192382812	184.0
215.92295837402344	144.0
215.95806884765625	168.0
216.0194854736328	160.0
216.11895751953125	160.0
217.15597534179688	224.0
217.26744079589844	216.0
217.43055725097656	156.0
217.62030029296875	172.0
217.96914672851562	172.0
218.6993408203125	180.0
219.7003631591797	228.0
219.86854553222656	204.0
221.092041015625	172.0
221.1334686279297	236.0
221.22227478027344	156.0
221.5954132080078	176.0
222.18092346191406	144.0
222.21803283691406	140.0
222.25660705566406	160.0
222.52670288085938	176.0
223.0711669921875	176.0
223.16250610351562	200.0
224.02557373046875	196.0
224.33251953125	164.0
224.3653106689453	212.0
224.70529174804688	248.0
225.21575927734375	172.0
225.42189025878906	184.0
225.6669921875	140.0
225.99301147460938	176.0
226.10073852539062	172.0
226.8075714111328	148.0
226.9739532470703	264.0
227.01742553710938	144.0
227.0784912109375	336.0
227.1374053955078	148.0
227.3624267578125	140.0
227.59056091308594	140.0
227.71067810058594	200.0
227.87890625	144.0
228.16140747070312	184.0
228.31776428222656	164.0
228.51629638671875	156.0
228.70587158203125	160.0
228.8065185546875	204.0
228.9888916015625	292.0
229.05775451660156	172.0
229.0947723388672	10468.0
229.13917541503906	588.0
229.17523193359375	168.0
229.23260498046875	268.0
229.26620483398438	164.0
229.35247802734375	196.0
229.38743591308594	156.0
229.44691467285156	176.0
229.47215270996094	140.0
229.5298309326172	216.0
229.56752014160156	156.0
229.61448669433594	216.0
229.64715576171875	136.0
229.72250366210938	156.0
229.74720764160156	132.0
229.79977416992188	140.0
230.01393127441406	108.0
230.0972442626953	1032.0
230.1224365234375	292.0
230.1573944091797	108.0
230.253662109375	120.0
230.27975463867188	156.0
230.30197143554688	212.0
230.3717041015625	272.0
230.41651916503906	140.0
230.46739196777344	176.0
230.5104217529297	248.0
230.58607482910156	176.0
230.6704864501953	176.0
230.7268829345703	416.0
230.7755126953125	208.0
230.82949829101562	264.0
230.87034606933594	200.0
230.9019012451172	240.0
230.97427368164062	536.0
231.00071716308594	200.0
231.06564331054688	636.0
231.07681274414062	788.0
231.1132049560547	228932.0
231.21791076660156	240.0
231.3150177001953	412.0
231.3499298095703	236.0
231.3937225341797	1204.0
231.4649658203125	360.0
231.4840545654297	576.0
231.51890563964844	120.0
231.57650756835938	1640.0
231.6118621826172	10464.0
231.65313720703125	420.0
231.70823669433594	200.0
231.7681121826172	116.0
231.85328674316406	200.0
231.9123992919922	412.0
231.9508056640625	384.0
232.0242156982422	136.0
232.06605529785156	248.0
232.11497497558594	64864.0
232.22402954101562	128.0
232.26646423339844	128.0
232.2980499267578	128.0
232.38148498535156	140.0
232.61366271972656	392.0
232.80906677246094	216.0
232.87274169921875	148.0
232.9678955078125	280.0
233.07449340820312	192.0
233.1166534423828	3288.0
233.1659393310547	132.0
233.2015838623047	120.0
233.2393035888672	108.0
233.28102111816406	204.0
233.31756591796875	196.0
233.36483764648438	204.0
233.42477416992188	292.0
233.5159149169922	172.0
233.55113220214844	256.0
233.59097290039062	188.0
233.6376495361328	280.0
233.66018676757812	292.0
233.70684814453125	176.0
233.7501983642578	260.0
233.7828369140625	284.0
233.81256103515625	480.0
233.9375457763672	352.0
234.07418823242188	100.0
234.10952758789062	180.0
234.57611083984375	144.0
234.64137268066406	124.0
234.82815551757812	96.0
234.9710235595703	172.0
235.02662658691406	144.0
235.1632537841797	100.0
235.3413848876953	96.0
235.5970916748047	108.0
237.87692260742188	148.0
238.90841674804688	136.0
239.17588806152344	116.0
241.69923400878906	140.0
242.32518005371094	144.0
249.76473999023438	112.0
267.0015563964844	152.0
272.1336364746094	128.0
273.1539306640625	172.0
359.9920349121094	124.0
380.283203125	140.0
525.3928833007812	140.0
631.3901977539062	176.0
633.0567016601562	148.0
805.9611206054688	148.0
1171.41650390625	168.0
1291.862060546875	184.0
1341.5037841796875	192.0
1357.00244140625	192.0
1361.390380859375	172.0
1449.2945556640625	208.0
1480.6336669921875	140.0
1510.0411376953125	148.0
1534.8292236328125	256.0
1544.6383056640625	164.0
1563.0830078125	208.0
1589.610107421875	160.0
1592.436279296875	148.0
1612.8494873046875	200.0
1616.2322998046875	156.0
1629.27685546875	140.0
1630.080322265625	160.0
1632.08984375	168.0
1636.31396484375	148.0
1640.95458984375	172.0
1653.653076171875	180.0
1659.6639404296875	184.0
1705.2491455078125	192.0
1708.521728515625	184.0
1711.1717529296875	188.0
1713.7332763671875	180.0
1716.3543701171875	148.0
1716.947998046875	188.0
1722.709228515625	256.0
1729.2828369140625	152.0
1729.3408203125	240.0
1742.16845703125	180.0
1745.0523681640625	216.0
1752.7347412109375	208.0
1763.6422119140625	164.0
1782.92724609375	240.0
1787.6785888671875	156.0
1793.3211669921875	176.0
1802.6129150390625	172.0
1806.8826904296875	172.0
1810.5986328125	152.0
1831.1854248046875	152.0
1832.744384765625	140.0
1833.1619873046875	140.0
1834.431884765625	204.0
1838.8416748046875	196.0
1840.830810546875	156.0
1856.0020751953125	156.0
1862.6446533203125	152.0
1864.1395263671875	168.0
1870.701904296875	200.0
1873.3475341796875	168.0
1873.621337890625	216.0
1879.2166748046875	212.0
1882.3326416015625	176.0
1890.4237060546875	196.0
1893.2457275390625	196.0
1895.862060546875	176.0
1905.9278564453125	144.0
1909.0311279296875	168.0
1911.8497314453125	160.0
1912.10205078125	160.0
1916.18603515625	200.0
1928.1142578125	144.0
1930.133544921875	144.0
1931.55908203125	144.0
1937.0474853515625	164.0
1948.89111328125	152.0
1951.6773681640625	236.0
1952.6973876953125	180.0
1952.9788818359375	172.0
1960.7530517578125	148.0
1962.3045654296875	156.0
1967.677490234375	148.0
1975.224365234375	140.0
1979.5433349609375	140.0
1980.8275146484375	220.0
1983.1224365234375	152.0
2001.9747314453125	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079199
PEPMASS=459.098083
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_G2_H11_BE3_01_15737.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Epigallocatechin gallate [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4cc(O)c(O)c(O)c4
INCHI=InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
INCHIAUX=WMBWREPUVVBILR-WIYYLYMNSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079199
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079199
SCANS=1039
45.81370544433594	152.0
46.45991134643555	168.0
53.4222412109375	184.0
53.45425033569336	180.0
58.43866729736328	200.0
59.42261505126953	176.0
62.53544998168945	156.0
62.98324203491211	144.0
66.18194580078125	176.0
67.2663345336914	188.0
69.25434112548828	180.0
70.58238983154297	180.0
71.09834289550781	156.0
74.08782196044922	140.0
74.39307403564453	172.0
76.3612060546875	148.0
78.67423248291016	176.0
78.98701477050781	168.0
80.94116973876953	240.0
81.51518249511719	164.0
82.78153228759766	140.0
88.29014587402344	196.0
88.80143737792969	168.0
90.7721939086914	152.0
90.95053100585938	160.0
92.62278747558594	244.0
94.98604583740234	228.0
99.84164428710938	152.0
100.602783203125	184.0
102.964111328125	172.0
103.07926177978516	152.0
104.1286392211914	140.0
108.04804992675781	196.0
109.30956268310547	176.0
110.4737777709961	192.0
111.04438781738281	384.0
111.87560272216797	184.0
112.57349395751953	156.0
114.99158477783203	176.0
120.98170471191406	224.0
121.03011322021484	176.0
123.04290008544922	512.0
125.0203628540039	132.0
126.85250854492188	148.0
130.26905822753906	208.0
130.416748046875	248.0
134.4500732421875	264.0
134.50546264648438	232.0
135.04217529296875	240.0
136.03787231445312	236.0
137.9597625732422	264.0
138.6830596923828	160.0
139.01217651367188	156.0
139.03953552246094	32292.0
139.16397094726562	188.0
139.59500122070312	112.0
139.6685333251953	96.0
140.0430450439453	2920.0
140.0717315673828	156.0
141.04371643066406	360.0
141.19036865234375	108.0
147.74717712402344	164.0
149.0564422607422	160.0
150.99205017089844	196.0
151.0389404296875	2680.0
151.22201538085938	176.0
153.01950073242188	3092.0
153.38595581054688	156.0
154.02125549316406	404.0
163.03782653808594	988.0
164.04345703125	348.0
164.1224822998047	160.0
169.04823303222656	156.0
179.03359985351562	104.0
179.0779266357422	128.0
181.04977416992188	776.0
182.0534210205078	176.0
195.06845092773438	180.0
203.39755249023438	152.0
205.04696655273438	284.0
223.0636444091797	164.0
231.06942749023438	148.0
238.92864990234375	140.0
259.0619812011719	168.0
271.0632629394531	104.0
287.0572509765625	120.0
288.05975341796875	168.0
289.0704345703125	3060.0
290.0763854980469	1500.0
291.0532531738281	264.0
293.07061767578125	156.0
295.2005920410156	156.0
305.07427978515625	144.0
305.12420654296875	200.0
307.0792541503906	1572.0
308.0881652832031	192.0
321.05621337890625	160.0
332.974853515625	184.0
333.0579528808594	156.0
439.09051513671875	224.0
444.9990539550781	196.0
459.09332275390625	160.0
1125.6368408203125	144.0
1300.902587890625	176.0
1373.95166015625	244.0
1385.417724609375	160.0
1414.834228515625	148.0
1435.8359375	156.0
1535.801025390625	148.0
1547.397705078125	212.0
1597.9898681640625	244.0
1618.766845703125	176.0
1754.2904052734375	204.0
1758.227294921875	200.0
1792.7789306640625	156.0
1811.942626953125	176.0
1819.329345703125	156.0
1820.382080078125	240.0
1823.177001953125	152.0
1836.1002197265625	216.0
1868.2637939453125	168.0
1878.6702880859375	160.0
1887.1771240234375	184.0
1903.4755859375	184.0
1921.989990234375	140.0
1956.689697265625	184.0
1971.7645263671875	188.0
1973.523681640625	176.0
1986.44482421875	232.0
1988.6453857421875	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079200
PEPMASS=245.100128
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_G2_H11_BE3_01_15737.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Flurbiprofen [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C(=O)O)c1ccc(c(F)c1)c2ccccc2
INCHI=InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
INCHIAUX=SYTBZMRGLBWNTM-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079200
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079200
SCANS=1763
46.49371337890625	180.0
52.34815216064453	184.0
61.9495964050293	216.0
64.0330810546875	208.0
67.02315521240234	188.0
67.18130493164062	224.0
71.0008544921875	228.0
73.14840698242188	180.0
76.0829849243164	164.0
76.56114959716797	180.0
85.68377685546875	144.0
104.21775817871094	172.0
108.88520050048828	176.0
109.46748352050781	212.0
110.07429504394531	164.0
115.05319213867188	180.0
116.82763671875	144.0
121.04447174072266	212.0
124.07669830322266	160.0
128.81442260742188	160.0
132.91024780273438	144.0
134.49127197265625	184.0
135.0511016845703	300.0
139.05563354492188	204.0
150.0491180419922	160.0
152.0622100830078	124.0
153.0695343017578	356.0
155.4234161376953	160.0
159.06130981445312	332.0
160.06297302246094	144.0
160.1156463623047	144.0
160.88973999023438	168.0
161.74668884277344	152.0
165.071533203125	148.0
165.40328979492188	140.0
169.5383758544922	188.0
170.07003784179688	172.0
171.05995178222656	340.0
172.06936645507812	220.0
173.07325744628906	144.0
176.0604705810547	284.0
177.0693817138672	784.0
178.07725524902344	4708.0
179.05467224121094	196.0
179.08558654785156	4088.0
180.0876007080078	956.0
180.15042114257812	128.0
180.28985595703125	168.0
180.46470642089844	108.0
183.06060791015625	1368.0
183.10140991210938	176.0
184.06776428222656	2372.0
184.0983428955078	132.0
185.07093811035156	632.0
185.92657470703125	192.0
188.84719848632812	204.0
196.06983947753906	440.0
197.07643127441406	1456.0
198.07736206054688	264.0
198.1096649169922	180.0
198.8807830810547	148.0
199.0523681640625	156.0
199.09185791015625	17272.0
199.25839233398438	180.0
200.0943603515625	2368.0
200.20339965820312	156.0
201.10464477539062	276.0
202.4075927734375	152.0
207.09828186035156	168.0
227.41957092285156	140.0
245.09559631347656	140.0
1136.6116943359375	148.0
1486.000244140625	160.0
1903.1580810546875	272.0
1947.7587890625	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079201
PEPMASS=338.05661
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_G2_H11_BE3_01_15737.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=FAMOTIDINE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=NC(=N)Nc1nc(CSCCC(=N)NS(=O)(=O)N)cs1
INCHI=InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
INCHIAUX=XUFQPHANEAPEMJ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079201
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079201
SCANS=946
50.86977005004883	164.0
53.03152084350586	152.0
57.465824127197266	168.0
73.56949615478516	140.0
79.50064849853516	140.0
82.34551239013672	240.0
82.3599624633789	176.0
92.54981994628906	168.0
99.93890380859375	176.0
113.01654052734375	620.0
114.02224731445312	176.0
115.56189727783203	164.0
118.18257141113281	176.0
128.0250701904297	168.0
129.715087890625	204.0
130.86007690429688	152.0
133.01690673828125	212.0
136.4278564453125	252.0
138.01043701171875	788.0
138.1044464111328	140.0
139.04161071777344	152.0
140.4768829345703	152.0
147.0050506591797	668.0
148.00582885742188	168.0
150.810791015625	156.0
152.30543518066406	152.0
155.03909301757812	5696.0
156.03854370117188	484.0
156.08668518066406	140.0
156.9706573486328	148.0
157.0348663330078	332.0
157.05482482910156	360.0
162.14694213867188	184.0
168.09547424316406	156.0
172.00082397460938	164.0
174.0054168701172	200.0
187.75210571289062	164.0
187.98944091796875	144.0
189.02679443359375	18048.0
189.0838165283203	132.0
189.918212890625	172.0
189.97308349609375	200.0
190.0265350341797	1400.0
190.7996826171875	148.0
191.022216796875	704.0
191.25357055664062	156.0
191.4380340576172	176.0
191.61155700683594	140.0
192.02227783203125	140.0
193.3788299560547	152.0
197.23390197753906	188.0
200.03614807128906	248.0
227.02064514160156	144.0
235.91661071777344	156.0
237.60708618164062	176.0
242.05128479003906	852.0
246.90625	148.0
249.13168334960938	160.0
258.8244323730469	172.0
258.9813537597656	156.0
259.0795593261719	15300.0
259.3805236816406	112.0
260.0809326171875	1588.0
261.0753479003906	1620.0
261.87994384765625	104.0
262.07635498046875	176.0
267.1123962402344	140.0
289.90985107421875	140.0
313.4997253417969	140.0
321.016845703125	112.0
323.0258483886719	144.0
337.10028076171875	152.0
337.2661437988281	168.0
338.0533447265625	2156.0
339.05096435546875	256.0
340.03692626953125	172.0
341.1038818359375	176.0
342.04925537109375	176.0
1076.3843994140625	140.0
1284.127685546875	180.0
1504.672119140625	188.0
1512.804931640625	156.0
1701.1356201171875	164.0
1770.4290771484375	184.0
1813.913330078125	144.0
1846.344482421875	148.0
1979.0936279296875	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079202
PEPMASS=240.162384
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_G2_H11_BE3_01_15737.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=SALBUTAMOL SULFATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
INCHI=InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
INCHIAUX=NDAUXUAQIAJITI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079202
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079202
SCANS=754
47.31163024902344	164.0
58.51927947998047	164.0
59.4609260559082	176.0
59.668296813964844	212.0
63.14756393432617	144.0
65.08865356445312	176.0
67.30218505859375	168.0
67.93392944335938	144.0
70.60071563720703	204.0
74.35009765625	168.0
76.53863525390625	184.0
78.12609100341797	160.0
89.85665130615234	160.0
95.75566101074219	152.0
103.05625915527344	280.0
104.05950164794922	148.0
105.05672454833984	168.0
106.06523132324219	192.0
106.1591567993164	160.0
107.05513763427734	148.0
108.44967651367188	164.0
117.0602798461914	228.0
118.0637435913086	476.0
119.06714630126953	168.0
120.0818099975586	652.0
121.06517791748047	1044.0
121.53169250488281	140.0
122.0676498413086	152.0
122.64665985107422	144.0
123.07269287109375	172.0
124.47406005859375	152.0
130.0659637451172	868.0
131.05154418945312	236.0
131.0675048828125	156.0
132.0447540283203	200.0
133.0531005859375	664.0
134.05560302734375	180.0
135.82891845703125	188.0
136.0540008544922	184.0
136.0794677734375	124.0
143.05055236816406	176.0
144.34844970703125	268.0
147.07244873046875	172.0
148.03749084472656	188.0
148.07652282714844	7260.0
148.16343688964844	188.0
148.18638610839844	120.0
148.77456665039062	200.0
149.07936096191406	864.0
150.0801239013672	192.0
150.1176300048828	140.0
152.77020263671875	152.0
157.84732055664062	200.0
163.07859802246094	184.0
166.08712768554688	5848.0
167.0897979736328	648.0
170.009765625	152.0
185.9730224609375	176.0
198.00636291503906	140.0
204.13494873046875	228.0
207.0497283935547	180.0
207.1872100830078	204.0
209.4479522705078	180.0
221.47740173339844	164.0
222.1492462158203	4852.0
223.1540069580078	496.0
224.1588134765625	144.0
224.947509765625	144.0
240.16065979003906	3216.0
241.16519165039062	240.0
249.88650512695312	156.0
259.1194152832031	164.0
326.61688232421875	196.0
356.8228759765625	172.0
1595.0220947265625	176.0
1760.321044921875	152.0
1821.1702880859375	176.0
1842.133056640625	140.0
1884.4874267578125	184.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079203
PEPMASS=374.151825
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_G2_H11_BE3_01_15737.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Prochlorperazine Edisylate aka "10H-Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1
INCHI=InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
INCHIAUX=WIKYUJGCLQQFNW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079203
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079203
SCANS=1211
45.53787612915039	148.0
45.872920989990234	216.0
46.42049789428711	184.0
47.04364776611328	144.0
47.1761589050293	196.0
47.32391357421875	168.0
47.476016998291016	192.0
47.48836135864258	184.0
47.796085357666016	180.0
48.422828674316406	152.0
48.77664566040039	188.0
49.60862731933594	160.0
50.225948333740234	152.0
50.35438919067383	152.0
50.69108581542969	144.0
51.31650924682617	212.0
51.750858306884766	156.0
53.89744567871094	144.0
54.030494689941406	152.0
57.19158172607422	148.0
57.72565460205078	188.0
57.9905891418457	148.0
59.1482048034668	172.0
59.16810607910156	204.0
59.370365142822266	180.0
59.44399642944336	172.0
59.55299758911133	164.0
59.596012115478516	184.0
60.17976379394531	172.0
60.54159927368164	160.0
60.6717529296875	156.0
61.24515914916992	192.0
62.37333679199219	196.0
62.85525894165039	180.0
62.9047966003418	176.0
63.11905288696289	204.0
64.65737915039062	156.0
64.73402404785156	164.0
64.83834838867188	184.0
65.18658447265625	140.0
66.16240692138672	188.0
66.58399963378906	152.0
66.98574829101562	164.0
67.21725463867188	156.0
67.42628479003906	148.0
67.97325134277344	144.0
67.99786376953125	232.0
68.89857482910156	208.0
69.0473403930664	140.0
70.3116455078125	172.0
71.40061950683594	188.0
72.1729507446289	232.0
72.21692657470703	152.0
72.50474548339844	156.0
73.88397216796875	152.0
74.31915283203125	216.0
74.79002380371094	144.0
76.444580078125	188.0
76.49505615234375	168.0
76.6622543334961	152.0
76.7494125366211	172.0
77.23521423339844	160.0
80.1103515625	188.0
80.25312042236328	184.0
80.34586334228516	192.0
80.38689422607422	152.0
81.24393463134766	144.0
81.71282958984375	176.0
82.06167602539062	132.0
82.1469955444336	180.0
82.80855560302734	212.0
82.87014770507812	180.0
84.36433410644531	176.0
84.69004821777344	140.0
85.25578308105469	144.0
85.65068817138672	192.0
85.80364227294922	144.0
86.01578521728516	180.0
86.17645263671875	172.0
86.83731842041016	144.0
87.33880615234375	180.0
87.62362670898438	232.0
87.70002746582031	232.0
88.37979125976562	180.0
88.81629180908203	200.0
91.17340850830078	148.0
91.5606918334961	168.0
92.39100646972656	140.0
93.18856048583984	228.0
94.82689666748047	160.0
96.08199310302734	168.0
96.26653289794922	204.0
96.50492095947266	164.0
97.07276153564453	160.0
97.09629821777344	172.0
97.44766998291016	156.0
98.08522033691406	2492.0
98.36341094970703	140.0
98.41868591308594	172.0
99.09010314941406	184.0
100.10856628417969	152.0
100.28944396972656	224.0
101.1283187866211	152.0
101.79390716552734	160.0
103.33587646484375	164.0
104.71827697753906	160.0
105.16275024414062	216.0
105.94591522216797	160.0
105.96845245361328	140.0
106.07091522216797	172.0
107.00975036621094	140.0
107.03034210205078	152.0
108.28591918945312	216.0
108.69015502929688	184.0
109.21766662597656	96.0
109.90323638916016	160.0
110.09736633300781	152.0
111.03703308105469	176.0
111.09852600097656	200.0
112.86702728271484	144.0
113.03319549560547	136.0
113.10738372802734	30356.0
113.22606658935547	112.0
113.25076293945312	172.0
113.2677001953125	124.0
113.32940673828125	136.0
113.36368560791016	116.0
114.11030578613281	1880.0
114.84535217285156	128.0
115.06678771972656	176.0
115.11007690429688	128.0
116.2862548828125	156.0
116.7072982788086	176.0
118.09393310546875	164.0
120.03981018066406	144.0
123.09442138671875	208.0
124.2054214477539	180.0
125.15882110595703	204.0
126.61927032470703	196.0
127.11919403076172	160.0
128.14675903320312	192.0
128.26620483398438	160.0
128.3270721435547	224.0
128.43531799316406	156.0
131.86611938476562	156.0
132.1473846435547	164.0
132.22976684570312	176.0
133.08480834960938	152.0
133.1129150390625	168.0
133.3420867919922	144.0
133.55821228027344	180.0
133.804443359375	172.0
134.694580078125	144.0
135.13844299316406	204.0
135.19166564941406	164.0
136.23968505859375	140.0
137.03302001953125	168.0
137.48304748535156	228.0
137.69082641601562	176.0
138.17701721191406	200.0
138.3033905029297	168.0
139.12686157226562	176.0
139.42916870117188	180.0
139.88076782226562	228.0
140.1126251220703	244.0
140.47222900390625	200.0
140.992431640625	136.0
141.09678649902344	212.0
141.13877868652344	52032.0
141.19247436523438	140.0
141.22808837890625	188.0
141.42210388183594	164.0
141.6399383544922	152.0
141.65716552734375	140.0
142.14158630371094	3600.0
142.51771545410156	232.0
143.14524841308594	192.0
143.66525268554688	168.0
144.24075317382812	152.0
144.6282501220703	176.0
147.9138946533203	172.0
148.84486389160156	140.0
149.36009216308594	148.0
151.02359008789062	144.0
151.51806640625	144.0
153.7803497314453	148.0
154.40789794921875	180.0
154.91778564453125	172.0
155.25735473632812	204.0
157.5972442626953	152.0
157.97975158691406	240.0
158.10986328125	160.0
158.4178466796875	148.0
158.44540405273438	168.0
158.98446655273438	300.0
159.94105529785156	120.0
159.9798126220703	176.0
160.9100799560547	140.0
161.5570526123047	256.0
162.7152099609375	172.0
164.40025329589844	156.0
164.77304077148438	176.0
166.90806579589844	156.0
167.06573486328125	160.0
167.15243530273438	180.0
167.21505737304688	160.0
169.06846618652344	212.0
169.9845428466797	380.0
176.5601348876953	148.0
177.0735626220703	240.0
178.0745849609375	176.0
179.07460021972656	156.0
180.35684204101562	148.0
181.67965698242188	148.0
181.6984405517578	160.0
181.75210571289062	204.0
182.09571838378906	160.0
183.0374755859375	180.0
183.95359802246094	248.0
184.0345916748047	188.0
184.21823120117188	144.0
185.5659637451172	168.0
186.40196228027344	152.0
187.95101928710938	108.0
188.28436279296875	168.0
188.57395935058594	184.0
190.00608825683594	288.0
191.01426696777344	152.0
191.3968048095703	140.0
191.876220703125	172.0
191.91757202148438	148.0
192.0554656982422	164.0
192.13270568847656	212.0
192.28170776367188	152.0
192.86170959472656	152.0
193.91622924804688	176.0
195.27110290527344	180.0
196.14816284179688	272.0
196.98529052734375	156.0
197.29827880859375	140.0
198.0355224609375	592.0
199.03622436523438	476.0
199.47364807128906	212.0
200.07130432128906	192.0
201.6552734375	144.0
201.77682495117188	156.0
203.04254150390625	160.0
204.8844451904297	144.0
205.09530639648438	156.0
205.7363739013672	164.0
206.09263610839844	384.0
206.37710571289062	172.0
206.99229431152344	188.0
207.07247924804688	144.0
207.09674072265625	364.0
208.0760955810547	252.0
208.10067749023438	292.0
208.4609832763672	176.0
208.91238403320312	148.0
210.00985717773438	148.0
210.03565979003906	352.0
211.04434204101562	2508.0
211.16224670410156	164.0
211.2837371826172	180.0
212.05075073242188	424.0
213.0366973876953	644.0
213.0841064453125	172.0
213.70921325683594	144.0
213.8954620361328	156.0
214.04249572753906	6912.0
215.0443115234375	1124.0
215.12850952148438	156.0
216.03866577148438	2744.0
217.0420379638672	640.0
218.934326171875	156.0
222.2539520263672	244.0
222.6339111328125	168.0
223.04029846191406	144.0
223.0825653076172	144.0
223.19850158691406	180.0
223.5019073486328	148.0
223.74298095703125	212.0
224.01829528808594	176.0
224.0550994873047	692.0
224.2791748046875	176.0
224.43121337890625	184.0
224.7682647705078	180.0
225.0159912109375	144.0
225.72412109375	152.0
225.76898193359375	180.0
226.32855224609375	172.0
226.76292419433594	148.0
229.06150817871094	148.0
230.0413360595703	120.0
230.0958709716797	156.0
230.50665283203125	148.0
230.7968292236328	156.0
231.4140625	152.0
232.0079345703125	172.0
233.00657653808594	2696.0
234.0132293701172	304.0
234.67416381835938	180.0
235.0042724609375	416.0
236.0187225341797	132.0
238.0689697265625	800.0
238.58688354492188	144.0
238.90362548828125	212.0
239.0284423828125	232.0
239.07630920410156	9180.0
239.81507873535156	192.0
240.07749938964844	1336.0
240.1480712890625	140.0
241.06568908691406	2096.0
242.0727996826172	404.0
243.06202697753906	164.0
243.6521759033203	192.0
243.78578186035156	172.0
244.0619354248047	128.0
245.1830596923828	156.0
246.0140380859375	21040.0
247.01800537109375	2484.0
247.6207733154297	172.0
248.0100860595703	4888.0
248.25924682617188	180.0
248.84303283691406	152.0
249.01185607910156	420.0
249.48062133789062	164.0
250.03196716308594	252.0
258.22515869140625	144.0
258.91741943359375	168.0
258.9558410644531	172.0
259.3948059082031	144.0
260.0310363769531	216.0
260.2899169921875	144.0
260.7943115234375	160.0
261.0064697265625	156.0
262.2845764160156	152.0
263.66595458984375	168.0
264.93109130859375	152.0
265.7837829589844	172.0
266.5180358886719	144.0
267.083251953125	144.0
267.3533020019531	156.0
267.5518493652344	148.0
269.72113037109375	164.0
269.8061218261719	164.0
272.06658935546875	176.0
272.32598876953125	216.0
273.0310363769531	152.0
273.85943603515625	140.0
274.04437255859375	2616.0
275.04833984375	512.0
276.04248046875	1020.0
277.0429992675781	200.0
278.35638427734375	196.0
279.01092529296875	244.0
280.1623840332031	168.0
282.0511169433594	192.0
283.1284484863281	164.0
283.7617492675781	172.0
284.2313232421875	164.0
284.9296569824219	144.0
286.74334716796875	164.0
286.8883056640625	152.0
287.0265197753906	188.0
289.0329284667969	220.0
289.7812194824219	152.0
290.1404724121094	144.0
290.8799743652344	148.0
291.3248291015625	164.0
292.11761474609375	172.0
294.1375732421875	164.0
294.22515869140625	176.0
294.9642028808594	180.0
296.1463623046875	2816.0
296.7042541503906	144.0
297.1528015136719	788.0
297.86309814453125	144.0
298.1477355957031	160.0
299.1397399902344	236.0
299.55206298828125	164.0
299.8483581542969	148.0
302.70184326171875	144.0
302.8265380859375	140.0
304.6927490234375	168.0
304.8143615722656	172.0
305.0306701660156	148.0
305.8924865722656	156.0
306.5786437988281	192.0
306.6169738769531	152.0
306.6542663574219	232.0
308.22918701171875	168.0
311.2977294921875	192.0
314.1944885253906	184.0
314.75213623046875	160.0
315.8653869628906	180.0
316.76092529296875	144.0
317.03375244140625	196.0
317.0989074707031	156.0
317.14007568359375	148.0
318.4919128417969	184.0
318.5451965332031	188.0
319.6224365234375	212.0
320.20269775390625	148.0
320.5054931640625	176.0
322.4646301269531	176.0
322.786376953125	212.0
324.5050354003906	176.0
325.839599609375	132.0
326.9404296875	140.0
328.35986328125	200.0
329.56195068359375	156.0
330.79156494140625	148.0
331.2711181640625	204.0
332.35540771484375	188.0
333.519287109375	208.0
334.1185607910156	160.0
336.8107604980469	168.0
337.4783020019531	152.0
338.4515686035156	212.0
346.2030029296875	192.0
346.703125	200.0
347.5310363769531	128.0
348.4322204589844	164.0
349.43231201171875	180.0
349.7225646972656	140.0
350.01666259765625	160.0
353.89239501953125	176.0
354.8927917480469	164.0
355.62054443359375	164.0
355.91253662109375	164.0
358.2096252441406	240.0
359.1271667480469	164.0
359.1573486328125	176.0
359.8548889160156	152.0
360.1726989746094	248.0
360.3011474609375	152.0
360.9172058105469	148.0
361.0079650878906	140.0
361.8214416503906	180.0
362.1811828613281	212.0
362.7381896972656	184.0
364.64739990234375	168.0
365.33563232421875	160.0
366.2339782714844	192.0
367.54156494140625	148.0
368.0492248535156	152.0
368.5457763671875	184.0
368.65277099609375	204.0
368.7062683105469	140.0
369.70611572265625	152.0
369.825927734375	132.0
369.9804992675781	116.0
370.1634826660156	160.0
370.4165344238281	144.0
370.80352783203125	208.0
370.904052734375	124.0
370.9629211425781	136.0
371.4664306640625	108.0
371.62030029296875	208.0
371.6617126464844	96.0
371.71112060546875	96.0
371.7352600097656	284.0
371.86328125	136.0
372.09051513671875	148.0
372.11724853515625	156.0
372.15765380859375	140.0
372.2809143066406	116.0
372.38165283203125	132.0
372.4427185058594	120.0
372.5429992675781	156.0
372.6459655761719	180.0
372.731201171875	168.0
372.7743225097656	136.0
372.833251953125	168.0
373.1049499511719	428.0
373.1772155761719	116.0
373.2613220214844	236.0
373.3111572265625	100.0
373.356689453125	96.0
373.4832763671875	320.0
373.5511474609375	216.0
373.60504150390625	172.0
373.67523193359375	132.0
373.7355651855469	244.0
373.7867126464844	372.0
373.8699035644531	144.0
373.90911865234375	232.0
373.9803466796875	136.0
374.0101013183594	352.0
374.0401611328125	304.0
374.07061767578125	420.0
374.1474304199219	215956.0
374.2767028808594	160.0
374.43115234375	212.0
374.4822082519531	284.0
374.51495361328125	348.0
374.5774230957031	248.0
374.6304626464844	204.0
374.6577453613281	300.0
374.69915771484375	156.0
374.7362060546875	332.0
374.7803039550781	3216.0
374.8346862792969	288.0
374.9112243652344	176.0
374.9493103027344	208.0
374.9790344238281	172.0
375.0163879394531	344.0
375.080078125	432.0
375.1492919921875	68200.0
375.3027648925781	196.0
375.4001159667969	168.0
375.5821838378906	184.0
375.746337890625	164.0
375.77606201171875	212.0
375.84136962890625	212.0
375.9198913574219	248.0
375.9339904785156	128.0
375.9442138671875	248.0
376.00152587890625	164.0
376.1438903808594	107856.0
376.2467041015625	164.0
376.2907409667969	248.0
376.35009765625	144.0
376.5042724609375	172.0
376.5705261230469	152.0
376.6236572265625	156.0
376.6781921386719	156.0
376.7745361328125	344.0
376.8359069824219	120.0
376.92535400390625	152.0
376.97076416015625	116.0
377.0816345214844	364.0
377.1454772949219	13656.0
377.2940979003906	284.0
377.32794189453125	156.0
377.36407470703125	224.0
377.4527282714844	136.0
377.48095703125	264.0
377.5337219238281	160.0
377.5751647949219	192.0
377.66015625	304.0
377.68463134765625	244.0
377.7691650390625	156.0
377.838623046875	256.0
377.97283935546875	116.0
378.0413818359375	212.0
378.14337158203125	788.0
378.2253112792969	136.0
378.2650451660156	136.0
378.30865478515625	168.0
378.4082946777344	120.0
378.4705810546875	100.0
378.5182800292969	144.0
378.6462097167969	104.0
378.7037658691406	168.0
378.81927490234375	176.0
379.23907470703125	188.0
379.2764587402344	128.0
379.3218078613281	172.0
379.4334716796875	104.0
379.4895935058594	188.0
379.5185852050781	152.0
379.5561828613281	212.0
379.6259765625	144.0
379.68560791015625	192.0
379.742919921875	112.0
380.0121154785156	176.0
380.1581115722656	108.0
380.3673400878906	108.0
380.539794921875	108.0
381.3808288574219	112.0
382.0337219238281	108.0
383.1320495605469	96.0
391.32330322265625	140.0
392.79266357421875	112.0
411.05487060546875	148.0
413.8681945800781	168.0
420.8208923339844	144.0
464.1864318847656	160.0
604.4293212890625	148.0
768.57177734375	140.0
1192.46533203125	232.0
1199.34814453125	156.0
1286.061767578125	140.0
1357.224365234375	156.0
1362.5308837890625	184.0
1376.4071044921875	208.0
1376.8057861328125	168.0
1388.8770751953125	172.0
1414.397705078125	144.0
1420.287109375	152.0
1422.8760986328125	160.0
1433.0067138671875	236.0
1434.4310302734375	168.0
1444.7615966796875	220.0
1458.5172119140625	140.0
1458.5966796875	156.0
1459.642333984375	188.0
1474.5306396484375	140.0
1477.505126953125	160.0
1492.384033203125	204.0
1493.10693359375	308.0
1493.676025390625	148.0
1495.083984375	140.0
1496.1077880859375	156.0
1500.0364990234375	184.0
1504.4952392578125	172.0
1508.404052734375	276.0
1513.7734375	220.0
1519.4005126953125	156.0
1530.927490234375	192.0
1557.4013671875	216.0
1566.4627685546875	184.0
1574.0972900390625	248.0
1587.51025390625	216.0
1606.128662109375	176.0
1607.3731689453125	260.0
1614.2188720703125	160.0
1616.5386962890625	196.0
1628.813232421875	152.0
1640.6907958984375	156.0
1643.2474365234375	152.0
1644.6192626953125	172.0
1645.458740234375	144.0
1646.427734375	264.0
1652.50634765625	220.0
1658.871826171875	192.0
1670.077392578125	176.0
1670.2237548828125	148.0
1676.7454833984375	168.0
1692.585205078125	156.0
1696.1654052734375	144.0
1701.4237060546875	172.0
1701.481201171875	176.0
1705.654296875	156.0
1706.0816650390625	192.0
1717.43701171875	156.0
1719.2109375	140.0
1745.83642578125	176.0
1747.9576416015625	184.0
1748.756591796875	164.0
1759.134033203125	180.0
1768.4791259765625	196.0
1792.0091552734375	140.0
1793.1888427734375	140.0
1794.427978515625	144.0
1794.8243408203125	144.0
1794.9171142578125	216.0
1800.114990234375	156.0
1800.41064453125	156.0
1801.9056396484375	204.0
1807.08837890625	164.0
1816.585205078125	188.0
1817.4930419921875	216.0
1844.0028076171875	244.0
1844.353271484375	196.0
1845.7467041015625	200.0
1846.9097900390625	200.0
1854.555908203125	208.0
1893.5428466796875	236.0
1898.2052001953125	180.0
1913.0709228515625	140.0
1920.1199951171875	160.0
1924.736328125	140.0
1926.7625732421875	164.0
1929.95263671875	212.0
1935.6927490234375	148.0
1939.8280029296875	192.0
1941.7044677734375	184.0
1945.582763671875	152.0
1947.3916015625	140.0
1947.6199951171875	168.0
1955.6300048828125	140.0
1963.4095458984375	140.0
1965.9501953125	140.0
1974.9794921875	144.0
1976.7222900390625	148.0
1976.8284912109375	144.0
1979.0413818359375	276.0
1980.520263671875	216.0
1981.5035400390625	168.0
1982.80615234375	176.0
1989.73388671875	216.0
1991.1217041015625	212.0
1991.2166748046875	140.0
2001.2117919921875	148.0
2002.1201171875	196.0
2002.324951171875	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079204
PEPMASS=266.086029
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=21.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_G2_H11_BE3_01_15737.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone" [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2
INCHI=InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
INCHIAUX=XMAYWYJOQHXEEK-OZXSUGGESA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079204
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079204
SCANS=1178
45.151878356933594	160.0
45.24554443359375	152.0
45.26161193847656	140.0
45.305809020996094	144.0
45.621177673339844	204.0
45.74494171142578	228.0
45.93764114379883	144.0
46.65266418457031	176.0
46.66218185424805	164.0
47.21443557739258	172.0
47.58369064331055	168.0
47.92964553833008	140.0
48.662723541259766	176.0
48.68632888793945	232.0
48.814178466796875	152.0
49.04389190673828	160.0
49.6002082824707	144.0
50.45046615600586	152.0
50.47167205810547	144.0
50.601844787597656	140.0
50.92516326904297	140.0
50.984832763671875	184.0
51.42919921875	196.0
51.802406311035156	168.0
51.85685729980469	180.0
52.29779815673828	168.0
52.42741775512695	168.0
52.8838005065918	160.0
53.1954460144043	172.0
53.40621566772461	160.0
53.44832992553711	160.0
54.13440704345703	168.0
54.190067291259766	188.0
54.20568084716797	232.0
54.439430236816406	204.0
54.65404510498047	176.0
54.67270278930664	128.0
55.63542175292969	140.0
55.706703186035156	176.0
55.9327278137207	144.0
56.412837982177734	136.0
56.54318618774414	180.0
56.90294647216797	172.0
57.18254470825195	152.0
57.417572021484375	172.0
57.54432678222656	172.0
57.6651725769043	140.0
57.77707290649414	188.0
57.90573501586914	200.0
59.23854064941406	192.0
59.270713806152344	144.0
59.80625915527344	144.0
60.57411575317383	208.0
60.89674377441406	288.0
60.94956588745117	188.0
61.00395965576172	148.0
61.22334671020508	152.0
61.40568923950195	140.0
61.67267608642578	176.0
62.7054328918457	180.0
62.752723693847656	152.0
62.99260711669922	188.0
63.740413665771484	184.0
63.877140045166016	140.0
65.20746612548828	148.0
65.35863494873047	164.0
65.4713134765625	220.0
65.6147232055664	160.0
65.83094024658203	192.0
66.07176971435547	188.0
66.63109588623047	212.0
67.7584457397461	176.0
67.99949645996094	212.0
68.66912078857422	188.0
69.39175415039062	204.0
69.6456527709961	164.0
70.1581802368164	172.0
70.3941879272461	136.0
70.89361572265625	140.0
71.20230102539062	164.0
71.25269317626953	168.0
71.27789306640625	188.0
71.65141296386719	240.0
71.81829833984375	184.0
72.49456024169922	160.0
72.6420669555664	144.0
73.12122344970703	168.0
73.56951904296875	272.0
73.72161102294922	168.0
73.74716186523438	152.0
73.76071166992188	160.0
74.25052642822266	192.0
74.46162414550781	216.0
75.12085723876953	180.0
75.17089080810547	164.0
75.87139129638672	208.0
75.89739990234375	176.0
76.32280731201172	160.0
76.3958511352539	172.0
76.54379272460938	148.0
76.56990814208984	228.0
76.6918716430664	160.0
78.17000579833984	164.0
79.31089782714844	188.0
80.46006774902344	168.0
80.67003631591797	156.0
80.86225891113281	148.0
81.12018585205078	140.0
81.42341613769531	160.0
81.51863098144531	152.0
81.59591674804688	204.0
81.72181701660156	184.0
82.26067352294922	184.0
82.61305236816406	140.0
82.64562225341797	160.0
82.91361999511719	192.0
83.2782974243164	236.0
83.59281158447266	412.0
83.98423767089844	136.0
84.25650024414062	204.0
84.28207397460938	216.0
84.45026397705078	204.0
84.51795196533203	144.0
84.89346313476562	144.0
84.99376678466797	144.0
85.24591827392578	228.0
85.68567657470703	200.0
86.55824279785156	192.0
86.61673736572266	172.0
87.46532440185547	208.0
87.54928588867188	2056.0
87.60311889648438	252.0
87.75220489501953	168.0
88.03297424316406	272.0
88.05077362060547	376.0
88.0638427734375	224.0
88.56698608398438	208.0
88.9119644165039	160.0
89.95658874511719	160.0
90.42724609375	192.0
90.6222915649414	140.0
90.94821166992188	148.0
91.05394744873047	364.0
91.68916320800781	180.0
92.88253784179688	228.0
93.42694091796875	200.0
93.54546356201172	208.0
93.91824340820312	156.0
93.95672607421875	188.0
94.04103088378906	232.0
94.06477355957031	292.0
94.16905975341797	148.0
94.32749938964844	140.0
94.55712890625	412.0
94.9044189453125	180.0
94.99751281738281	160.0
95.07312774658203	4840.0
95.1178207397461	216.0
95.4422607421875	148.0
95.5728530883789	420.0
95.68547058105469	144.0
96.06524658203125	196.0
96.07819366455078	164.0
96.16973114013672	132.0
96.69995880126953	176.0
96.84932708740234	184.0
97.6737289428711	140.0
98.60831451416016	240.0
98.86343383789062	172.0
99.07133483886719	220.0
99.30522918701172	232.0
99.37664794921875	200.0
99.68441772460938	224.0
100.06402587890625	292.0
100.34125518798828	160.0
100.5559310913086	828.0
100.78633880615234	172.0
100.99825286865234	188.0
101.05909729003906	232.0
101.55707550048828	184.0
102.25828552246094	140.0
102.44352722167969	176.0
102.97603607177734	168.0
103.05345153808594	1152.0
103.19236755371094	148.0
103.28528594970703	256.0
103.52410125732422	140.0
103.70035552978516	180.0
104.05465698242188	508.0
104.4678955078125	176.0
105.07029724121094	1060.0
105.28523254394531	172.0
106.06641387939453	920.0
106.34370422363281	156.0
106.57369995117188	140.0
106.95621490478516	180.0
107.05091857910156	272.0
107.0720443725586	304.0
107.5601577758789	228.0
107.5787353515625	140.0
108.04356384277344	576.0
108.06354522705078	324.0
108.30661010742188	152.0
108.5539321899414	820.0
108.65071868896484	200.0
109.04344940185547	152.0
109.07015228271484	2936.0
109.11384582519531	148.0
109.1585922241211	108.0
109.3051986694336	140.0
109.5715560913086	432.0
109.66964721679688	188.0
111.05379486083984	152.0
111.40279388427734	228.0
111.93645477294922	232.0
112.07549285888672	2236.0
112.52050018310547	192.0
112.60074615478516	160.0
112.92622375488281	140.0
113.07636260986328	268.0
114.07546997070312	184.0
115.05255126953125	152.0
115.57476806640625	156.0
115.66251373291016	220.0
115.78455352783203	164.0
116.04383087158203	172.0
116.06016540527344	376.0
116.22615051269531	160.0
116.45800018310547	200.0
117.07080841064453	484.0
118.01822662353516	220.0
118.04100799560547	140.0
118.06454467773438	1744.0
118.14582824707031	232.0
118.18476867675781	228.0
118.62353515625	188.0
118.66126251220703	192.0
118.6981201171875	248.0
119.03763580322266	172.0
119.07279968261719	3360.0
119.15010070800781	176.0
119.2647476196289	132.0
119.51049041748047	196.0
119.98746490478516	208.0
120.04747772216797	168.0
120.08049774169922	3028.0
120.26138305664062	140.0
120.86766815185547	220.0
121.05087280273438	416.0
121.08084869384766	156.0
121.54913330078125	164.0
121.66106414794922	192.0
122.05902099609375	596.0
122.09001922607422	196.0
122.7986831665039	152.0
122.82546997070312	164.0
122.99791717529297	392.0
123.07673645019531	184.0
123.2534408569336	240.0
123.5320053100586	176.0
124.0036392211914	172.0
124.1033935546875	168.0
124.79612731933594	240.0
124.94239807128906	156.0
124.99951934814453	320.0
125.36819458007812	256.0
125.58222198486328	160.0
126.06444549560547	168.0
126.11808776855469	148.0
126.55879211425781	232.0
127.05233001708984	576.0
127.44476318359375	180.0
127.66279602050781	168.0
127.88777923583984	232.0
128.06399536132812	408.0
128.34959411621094	152.0
128.9544677734375	132.0
129.0683135986328	500.0
130.06491088867188	1804.0
130.09555053710938	200.0
130.11892700195312	188.0
130.5665740966797	140.0
130.96942138671875	160.0
131.0489959716797	6184.0
131.07278442382812	1572.0
131.79525756835938	200.0
132.0009765625	196.0
132.05654907226562	8292.0
132.07916259765625	2328.0
133.05828857421875	1484.0
133.08738708496094	1260.0
133.31448364257812	176.0
134.06021118164062	6504.0
134.0919952392578	588.0
134.40597534179688	156.0
134.47752380371094	180.0
134.8378143310547	236.0
134.95339965820312	172.0
135.02857971191406	116.0
135.06752014160156	3700.0
135.3342742919922	136.0
135.53204345703125	156.0
136.01441955566406	196.0
136.07598876953125	10892.0
136.73260498046875	152.0
136.99533081054688	192.0
137.07798767089844	1524.0
137.36636352539062	176.0
137.443359375	176.0
137.7842254638672	164.0
138.00860595703125	148.0
138.04835510253906	172.0
138.4906768798828	164.0
138.9829864501953	144.0
139.0311279296875	112.0
139.34690856933594	164.0
139.7936553955078	148.0
139.93017578125	156.0
139.96266174316406	156.0
140.99766540527344	212.0
141.05545043945312	176.0
141.28720092773438	140.0
142.0191650390625	160.0
142.0653839111328	452.0
142.51531982421875	168.0
143.0728302001953	452.0
144.05419921875	132.0
144.0798797607422	1764.0
145.06532287597656	960.0
145.08590698242188	536.0
145.36119079589844	96.0
145.47918701171875	192.0
145.78662109375	204.0
145.97000122070312	324.0
146.06036376953125	2660.0
146.0961151123047	6916.0
146.97085571289062	152.0
147.06797790527344	680.0
147.10015869140625	1304.0
147.96640014648438	144.0
148.0758514404297	3396.0
148.1017303466797	356.0
148.13180541992188	284.0
148.73316955566406	144.0
148.8448486328125	152.0
148.9517059326172	164.0
149.0140838623047	336.0
149.03988647460938	188.0
149.08160400390625	484.0
149.38925170898438	140.0
150.08920288085938	320.0
150.11505126953125	220.0
151.0282440185547	140.0
151.0602569580078	296.0
151.08706665039062	196.0
151.5596923828125	192.0
151.66751098632812	164.0
151.9716033935547	148.0
151.99996948242188	292.0
152.02125549316406	204.0
152.63479614257812	164.0
152.6716766357422	148.0
152.85617065429688	144.0
153.02108764648438	176.0
153.0481719970703	180.0
153.2402801513672	204.0
154.06358337402344	280.0
154.9772186279297	152.0
155.0724639892578	196.0
155.710205078125	120.0
155.7412872314453	144.0
155.9773406982422	160.0
156.08013916015625	1416.0
156.4923095703125	168.0
156.79371643066406	152.0
157.0386505126953	164.0
157.05917358398438	320.0
157.09326171875	180.0
157.2426300048828	240.0
157.2875518798828	140.0
157.4414825439453	160.0
157.9718475341797	200.0
158.0631103515625	356.0
158.0940399169922	468.0
158.6308135986328	156.0
158.70352172851562	140.0
158.97665405273438	26384.0
159.06858825683594	864.0
159.10935974121094	148.0
159.30926513671875	188.0
159.36111450195312	176.0
159.69979858398438	192.0
159.73704528808594	176.0
159.9795684814453	2540.0
160.0758819580078	1964.0
160.28561401367188	160.0
160.3954315185547	172.0
160.4458465576172	204.0
160.74172973632812	220.0
160.80908203125	144.0
160.9735107421875	14240.0
161.08270263671875	1488.0
161.1071014404297	196.0
161.43704223632812	100.0
161.7145233154297	148.0
161.8075714111328	164.0
161.9107666015625	136.0
161.9771270751953	1116.0
162.01522827148438	208.0
162.0600128173828	208.0
162.0902099609375	5508.0
162.11619567871094	448.0
162.28701782226562	124.0
162.4755096435547	144.0
162.80914306640625	256.0
162.91073608398438	228.0
162.97030639648438	944.0
163.03517150878906	168.0
163.09390258789062	696.0
163.12242126464844	172.0
163.9738006591797	180.0
164.02589416503906	140.0
164.068115234375	420.0
164.1262664794922	164.0
164.62486267089844	188.0
164.94422912597656	160.0
165.02322387695312	136.0
165.04904174804688	196.0
165.43792724609375	172.0
165.54803466796875	140.0
166.01699829101562	144.0
166.08914184570312	124.0
166.3088836669922	176.0
166.5302734375	164.0
166.8514862060547	172.0
166.9954833984375	152.0
167.02528381347656	548.0
167.08157348632812	3528.0
167.17237854003906	220.0
167.2193145751953	200.0
167.4458770751953	184.0
168.08578491210938	188.0
168.9940948486328	168.0
169.01889038085938	240.0
169.8029327392578	156.0
169.8350067138672	164.0
169.96847534179688	784.0
170.0260467529297	156.0
170.0626678466797	160.0
170.10391235351562	152.0
170.2051544189453	144.0
170.41294860839844	224.0
170.9755859375	752.0
171.02406311035156	140.0
171.53720092773438	140.0
171.9652099609375	1132.0
172.0760498046875	1072.0
172.1094970703125	596.0
172.9550323486328	2756.0
173.0816650390625	932.0
173.1107635498047	144.0
173.6715087890625	136.0
173.78273010253906	200.0
173.81903076171875	144.0
173.9589080810547	488.0
174.0913543701172	10796.0
174.35614013671875	152.0
174.62315368652344	120.0
174.95257568359375	1984.0
175.09429931640625	1316.0
175.1262664794922	256.0
175.29034423828125	204.0
175.37203979492188	172.0
175.3983917236328	156.0
175.8362274169922	140.0
175.95770263671875	236.0
176.1064910888672	3352.0
176.59713745117188	232.0
176.84849548339844	192.0
176.95245361328125	172.0
177.07810974121094	512.0
177.1020050048828	8344.0
177.42984008789062	144.0
177.79995727539062	168.0
177.97250366210938	168.0
178.086181640625	1260.0
178.1097869873047	3664.0
178.20614624023438	116.0
178.48532104492188	200.0
179.0334930419922	160.0
179.0829620361328	132.0
179.11634826660156	1120.0
179.33262634277344	212.0
179.38388061523438	124.0
180.0342254638672	168.0
180.0902557373047	152.0
180.11904907226562	440.0
180.1938018798828	280.0
180.235595703125	124.0
180.98280334472656	244.0
181.0944061279297	160.0
181.3551788330078	160.0
181.52407836914062	208.0
182.02198791503906	144.0
182.5225067138672	208.0
182.79464721679688	152.0
183.07730102539062	148.0
183.5227813720703	200.0
184.07212829589844	132.0
184.99278259277344	600.0
185.072265625	328.0
185.1026153564453	148.0
185.96395874023438	1988.0
186.08770751953125	204.0
186.41552734375	144.0
186.98484802246094	792.0
187.1227264404297	176.0
187.96188354492188	1208.0
187.99612426757812	160.0
188.10601806640625	1720.0
188.5301971435547	308.0
188.97071838378906	468.0
189.11151123046875	312.0
189.13833618164062	1748.0
189.18345642089844	144.0
189.50706481933594	156.0
189.5369873046875	1824.0
189.9551239013672	364.0
190.03636169433594	380.0
190.09307861328125	176.0
190.09962463378906	232.0
190.14015197753906	276.0
190.53350830078125	440.0
191.0347900390625	220.0
191.09397888183594	496.0
191.51988220214844	200.0
191.77694702148438	140.0
192.02874755859375	392.0
192.1023406982422	10880.0
192.58631896972656	100.0
192.99560546875	116.0
193.0358428955078	164.0
193.10519409179688	2024.0
193.25767517089844	180.0
193.34844970703125	168.0
193.558837890625	144.0
194.07144165039062	208.0
194.11170959472656	160.0
194.1352081298828	212.0
194.48489379882812	100.0
194.99026489257812	204.0
195.5376739501953	184.0
196.0478057861328	148.0
197.04234313964844	196.0
197.29824829101562	168.0
197.5354461669922	184.0
197.9925994873047	156.0
198.03138732910156	144.0
198.3367919921875	152.0
199.0996856689453	192.0
199.89830017089844	164.0
199.9911651611328	152.0
200.10687255859375	916.0
200.25582885742188	144.0
200.97125244140625	188.0
201.01589965820312	164.0
201.1084442138672	280.0
201.99496459960938	340.0
202.0814666748047	160.0
202.12051391601562	724.0
202.55372619628906	272.0
202.96481323242188	440.0
203.0028076171875	192.0
203.03713989257812	1060.0
203.11566162109375	156.0
203.54827880859375	212.0
204.0467071533203	136.0
204.10104370117188	1336.0
204.52838134765625	148.0
204.9697265625	288.0
205.03675842285156	180.0
205.1047821044922	304.0
205.13311767578125	952.0
205.22926330566406	168.0
205.9712677001953	228.0
206.10452270507812	124.0
206.13690185546875	172.0
206.97764587402344	216.0
207.0880584716797	168.0
207.13803100585938	148.0
207.4334716796875	188.0
207.58828735351562	148.0
208.4883270263672	168.0
209.03807067871094	468.0
209.46792602539062	140.0
209.7099609375	228.0
210.03976440429688	196.0
210.4715576171875	148.0
210.54066467285156	500.0
210.62173461914062	156.0
210.86154174804688	176.0
211.05955505371094	928.0
211.5430450439453	728.0
211.82504272460938	180.0
211.84532165527344	160.0
212.05422973632812	644.0
212.56724548339844	224.0
212.98240661621094	156.0
213.05955505371094	264.0
213.5579071044922	148.0
213.73536682128906	156.0
213.99281311035156	108.0
214.7491455078125	212.0
214.97796630859375	144.0
215.0467529296875	180.0
215.11915588378906	388.0
215.19351196289062	188.0
215.4117431640625	228.0
215.5399169921875	3500.0
215.7097930908203	164.0
215.73609924316406	208.0
215.99050903320312	236.0
216.04193115234375	704.0
216.53927612304688	1220.0
217.03964233398438	396.0
217.13418579101562	1320.0
217.16720581054688	228.0
217.5416717529297	180.0
218.000244140625	96.0
218.04725646972656	324.0
218.1173858642578	1800.0
218.17970275878906	132.0
218.5369110107422	168.0
219.0285186767578	496.0
219.11721801757812	260.0
219.1480255126953	764.0
219.3078155517578	148.0
219.55905151367188	220.0
220.10008239746094	164.0
220.15736389160156	428.0
220.72549438476562	160.0
221.02386474609375	176.0
221.12782287597656	264.0
221.40908813476562	156.0
221.53941345214844	180.0
221.71421813964844	196.0
221.9899139404297	148.0
222.04330444335938	224.0
222.548095703125	932.0
222.57151794433594	164.0
222.8455810546875	192.0
222.9339141845703	140.0
223.0522003173828	792.0
223.43734741210938	216.0
223.4869842529297	156.0
223.55490112304688	16568.0
223.60711669921875	108.0
224.05564880371094	4948.0
224.36978149414062	168.0
224.5539093017578	9964.0
224.61688232421875	164.0
224.66380310058594	168.0
224.84422302246094	120.0
224.9551239013672	96.0
225.02589416503906	148.0
225.0552215576172	2676.0
225.45803833007812	188.0
225.5531768798828	2160.0
225.86671447753906	116.0
226.0501708984375	268.0
226.27163696289062	172.0
226.62631225585938	132.0
226.8887939453125	152.0
227.0026092529297	108.0
227.06777954101562	136.0
227.51878356933594	220.0
227.66531372070312	100.0
228.947021484375	172.0
229.01406860351562	212.0
229.55499267578125	3336.0
230.05731201171875	864.0
230.55563354492188	1448.0
230.70542907714844	200.0
230.86517333984375	104.0
231.05421447753906	324.0
231.15335083007812	164.0
231.2384490966797	180.0
231.55606079101562	564.0
232.05429077148438	212.0
232.13214111328125	232.0
232.55653381347656	296.0
232.85745239257812	152.0
232.9946746826172	156.0
233.045654296875	496.0
233.1290740966797	348.0
233.5291290283203	172.0
234.11447143554688	864.0
234.29925537109375	168.0
235.1190948486328	284.0
235.14588928222656	2040.0
235.5564727783203	164.0
235.7699737548828	204.0
235.89527893066406	224.0
236.1001434326172	224.0
236.15284729003906	116.0
236.5627899169922	1396.0
236.7091064453125	172.0
236.85610961914062	168.0
236.99803161621094	116.0
237.061767578125	476.0
237.560302734375	436.0
237.80355834960938	232.0
238.00491333007812	1224.0
238.06112670898438	352.0
238.27464294433594	96.0
238.30715942382812	220.0
239.0106201171875	872.0
239.04566955566406	156.0
239.20928955078125	164.0
239.59544372558594	120.0
240.00668334960938	728.0
240.209716796875	192.0
240.700439453125	160.0
240.74366760253906	148.0
241.0132598876953	664.0
241.80296325683594	148.0
241.9959259033203	148.0
242.1243438720703	272.0
242.3665771484375	248.0
242.51243591308594	144.0
242.5515594482422	140.0
242.69000244140625	156.0
242.71737670898438	116.0
242.84815979003906	164.0
242.8853759765625	188.0
242.98326110839844	108.0
242.99290466308594	136.0
243.13551330566406	200.0
243.22451782226562	148.0
243.34657287597656	156.0
243.4079132080078	192.0
243.45333862304688	196.0
243.48101806640625	124.0
243.56553649902344	164.0
243.70590209960938	156.0
243.8002471923828	100.0
243.83067321777344	140.0
243.8712615966797	124.0
243.93504333496094	268.0
243.96934509277344	408.0
244.0041961669922	3252.0
244.0680694580078	3536.0
244.14671325683594	236.0
244.2517852783203	160.0
244.29241943359375	160.0
244.3324432373047	348.0
244.4007110595703	136.0
244.45074462890625	228.0
244.47088623046875	232.0
244.56057739257812	16124.0
244.66513061523438	240.0
244.69520568847656	152.0
244.7285614013672	348.0
244.76954650878906	348.0
244.81822204589844	388.0
244.86807250976562	500.0
244.90145874023438	252.0
244.93043518066406	96.0
244.96630859375	372.0
245.02197265625	512.0
245.0780487060547	213940.0
245.14215087890625	120.0
245.17941284179688	376.0
245.2575225830078	624.0
245.28353881835938	420.0
245.3309783935547	360.0
245.33738708496094	328.0
245.37229919433594	840.0
245.4345245361328	368.0
245.46942138671875	284.0
245.51876831054688	320.0
245.57907104492188	108152.0
245.61700439453125	668.0
245.66690063476562	328.0
245.6923370361328	372.0
245.73916625976562	168.0
245.7850341796875	196.0
245.8452911376953	240.0
245.89015197753906	388.0
245.93019104003906	704.0
245.97329711914062	492.0
246.00059509277344	1260.0
246.07644653320312	185496.0
246.1278839111328	364.0
246.16629028320312	172.0
246.2047576904297	232.0
246.24908447265625	324.0
246.2846221923828	248.0
246.34921264648438	436.0
246.37643432617188	332.0
246.44015502929688	412.0
246.4947967529297	128.0
246.57763671875	66460.0
246.65634155273438	328.0
246.6874542236328	192.0
246.74269104003906	120.0
246.808837890625	280.0
246.83523559570312	412.0
246.86862182617188	168.0
246.89312744140625	372.0
246.92591857910156	104.0
247.0040740966797	532.0
247.0741729736328	37460.0
247.1470184326172	276.0
247.1520538330078	488.0
247.19232177734375	224.0
247.23670959472656	260.0
247.264404296875	200.0
247.2937469482422	112.0
247.35081481933594	108.0
247.3864288330078	288.0
247.4079132080078	452.0
247.47239685058594	248.0
247.5155029296875	216.0
247.5744171142578	6924.0
247.63973999023438	204.0
247.69956970214844	224.0
247.75035095214844	264.0
247.78590393066406	120.0
247.82203674316406	204.0
247.8558807373047	260.0
247.91082763671875	380.0
247.9239501953125	316.0
247.931884765625	264.0
248.007568359375	488.0
248.07762145996094	964.0
248.12701416015625	192.0
248.1506805419922	184.0
248.1739501953125	252.0
248.26898193359375	276.0
248.3023681640625	136.0
248.35226440429688	140.0
248.4275665283203	248.0
248.49423217773438	180.0
248.57989501953125	364.0
248.6224822998047	168.0
248.64256286621094	160.0
248.67276000976562	156.0
248.73138427734375	248.0
248.7922821044922	144.0
248.82012939453125	268.0
248.8515625	100.0
248.8809356689453	144.0
248.9228515625	216.0
248.95382690429688	168.0
249.04905700683594	216.0
249.10325622558594	156.0
249.1600341796875	184.0
249.1929931640625	204.0
249.30335998535156	124.0
249.32821655273438	344.0
249.40293884277344	120.0
249.57688903808594	156.0
249.6324005126953	224.0
249.79689025878906	164.0
249.85684204101562	108.0
249.90406799316406	120.0
249.96275329589844	264.0
250.06382751464844	96.0
250.10496520996094	212.0
250.2266082763672	180.0
250.5653076171875	112.0
250.98550415039062	172.0
251.20188903808594	176.0
251.53445434570312	184.0
251.69129943847656	164.0
252.21778869628906	168.0
252.33450317382812	156.0
252.6647186279297	144.0
252.99131774902344	124.0
253.02615356445312	220.0
253.59674072265625	184.0
253.70066833496094	188.0
253.8281707763672	184.0
254.0021514892578	288.0
254.09141540527344	168.0
254.2532501220703	184.0
254.3645782470703	100.0
254.46971130371094	104.0
254.58023071289062	156.0
254.7924041748047	160.0
254.96298217773438	140.0
255.00869750976562	15872.0
255.0854034423828	184.0
255.1394500732422	172.0
255.35740661621094	176.0
255.85716247558594	304.0
255.92022705078125	144.0
256.0107116699219	2124.0
256.1322326660156	200.0
256.5030517578125	116.0
257.0054626464844	9200.0
257.1959533691406	100.0
257.3019714355469	100.0
257.4814147949219	192.0
257.5780334472656	180.0
257.7297058105469	128.0
258.00665283203125	1168.0
258.0489501953125	120.0
258.0968933105469	188.0
258.45001220703125	224.0
258.8133544921875	132.0
259.0013122558594	1744.0
259.0695495605469	220.0
259.1832580566406	140.0
259.218505859375	152.0
259.4085998535156	228.0
259.454345703125	124.0
259.6116943359375	128.0
259.6480712890625	328.0
259.681884765625	96.0
259.9791259765625	264.0
260.00634765625	424.0
260.4356384277344	196.0
261.0010986328125	176.0
261.433349609375	120.0
261.7841491699219	152.0
261.866943359375	268.0
263.0102844238281	164.0
263.48309326171875	104.0
263.9844665527344	164.0
264.2447204589844	168.0
264.2858581542969	140.0
264.36334228515625	100.0
264.5689392089844	108.0
264.7644958496094	104.0
264.86627197265625	368.0
265.0357360839844	308.0
265.1399841308594	116.0
265.256591796875	104.0
265.29400634765625	148.0
265.3306579589844	140.0
265.4159851074219	112.0
265.5655212402344	228.0
265.5902099609375	1524.0
265.6609191894531	108.0
265.71685791015625	216.0
265.7691345214844	200.0
265.8077087402344	452.0
265.8434753417969	180.0
265.8939514160156	296.0
265.967529296875	152.0
265.99444580078125	324.0
266.0190734863281	484.0
266.0827331542969	124604.0
266.17230224609375	136.0
266.2089538574219	232.0
266.2421569824219	144.0
266.2921142578125	152.0
266.3338623046875	140.0
266.3620910644531	180.0
266.4019775390625	152.0
266.4744567871094	408.0
266.5429992675781	120.0
266.5832824707031	42660.0
266.64697265625	104.0
266.6568908691406	324.0
266.7499694824219	140.0
266.81390380859375	244.0
266.8752136230469	128.0
266.954833984375	420.0
267.0079650878906	1732.0
267.0812072753906	73064.0
267.1368103027344	100.0
267.1742858886719	148.0
267.20477294921875	340.0
267.25970458984375	160.0
267.3415832519531	212.0
267.38037109375	264.0
267.4172058105469	148.0
267.4458312988281	260.0
267.4742126464844	156.0
267.5338439941406	324.0
267.58197021484375	25412.0
267.7074890136719	176.0
267.7575988769531	324.0
267.80047607421875	128.0
267.847412109375	148.0
267.8826599121094	200.0
267.95263671875	216.0
268.0124816894531	676.0
268.0802001953125	11692.0
268.22589111328125	156.0
268.2969055175781	104.0
268.4217224121094	116.0
268.5799560546875	3532.0
268.693603515625	112.0
268.7275085449219	204.0
268.7933654785156	116.0
268.8333740234375	112.0
268.9065856933594	280.0
269.00799560546875	1608.0
269.0834045410156	424.0
269.1278076171875	112.0
269.18194580078125	144.0
269.222412109375	120.0
269.2723083496094	136.0
269.3028564453125	100.0
269.3540344238281	96.0
269.4134216308594	196.0
269.45458984375	108.0
269.51568603515625	108.0
269.5979309082031	232.0
269.68182373046875	232.0
269.76605224609375	144.0
269.8055114746094	100.0
269.82696533203125	184.0
269.90435791015625	124.0
270.0021057128906	256.0
270.0273132324219	228.0
270.19854736328125	188.0
270.5604553222656	108.0
270.9253234863281	140.0
271.00390625	776.0
271.0683898925781	168.0
271.6391906738281	176.0
271.6858825683594	204.0
272.0123596191406	236.0
272.05999755859375	172.0
272.9141845703125	180.0
273.35064697265625	104.0
275.0862731933594	500.0
276.08306884765625	172.0
276.5826721191406	148.0
277.0462646484375	148.0
277.07257080078125	152.0
278.7416687011719	152.0
279.52642822265625	144.0
281.02569580078125	888.0
281.5065002441406	152.0
282.0339050292969	364.0
282.69989013671875	156.0
283.020263671875	552.0
284.0287780761719	272.0
285.01849365234375	212.0
286.23992919921875	112.0
286.5948791503906	712.0
287.0213928222656	164.0
287.1021728515625	304.0
287.544921875	176.0
287.59783935546875	448.0
288.0968322753906	144.0
288.5871276855469	192.0
288.955078125	148.0
290.0692138671875	148.0
291.05987548828125	208.0
292.0409240722656	164.0
293.03076171875	140.0
295.0516052246094	136.0
296.0372619628906	156.0
296.2610778808594	140.0
297.017333984375	236.0
297.74969482421875	264.0
298.02227783203125	272.0
299.0178527832031	300.0
300.0208740234375	264.0
303.8455810546875	160.0
304.748291015625	144.0
308.0107421875	132.0
308.5017395019531	164.0
311.0352783203125	1056.0
311.2976989746094	144.0
312.0378723144531	308.0
312.30279541015625	172.0
313.03350830078125	600.0
313.7712097167969	160.0
314.0425720214844	148.0
315.0328674316406	104.0
315.0911560058594	156.0
317.79254150390625	164.0
319.0853271484375	168.0
320.8368835449219	192.0
322.0394287109375	160.0
323.0331115722656	180.0
323.5376892089844	144.0
324.0982666015625	216.0
325.0346374511719	96.0
325.0616760253906	160.0
326.0470275878906	176.0
327.0411376953125	180.0
328.0533447265625	152.0
329.015869140625	152.0
330.0606994628906	160.0
333.0759582519531	148.0
336.36767578125	156.0
340.3692321777344	168.0
341.09295654296875	160.0
346.0547180175781	132.0
348.0384826660156	140.0
353.6377868652344	224.0
354.0234069824219	152.0
356.6120300292969	256.0
357.0406188964844	148.0
359.0403747558594	144.0
359.791259765625	188.0
363.0224914550781	144.0
364.022705078125	152.0
365.08074951171875	176.0
367.064697265625	140.0
371.65478515625	148.0
376.06878662109375	196.0
378.06842041015625	444.0
379.0657653808594	120.0
380.0682373046875	240.0
381.05767822265625	244.0
382.0572814941406	192.0
386.6802062988281	104.0
388.0755615234375	120.0
389.0732421875	252.0
390.0643615722656	148.0
391.035888671875	164.0
392.0636291503906	120.0
395.21490478515625	184.0
400.45098876953125	168.0
402.0553283691406	144.0
403.1998596191406	148.0
405.0817565917969	152.0
405.2206115722656	152.0
405.8127746582031	176.0
406.0827331542969	172.0
407.4472351074219	152.0
409.9942626953125	200.0
419.0190734863281	140.0
419.0765075683594	112.0
419.83984375	156.0
420.0873107910156	5444.0
420.6673583984375	188.0
421.09161376953125	996.0
422.08477783203125	3352.0
422.1651611328125	148.0
422.4637451171875	148.0
422.6683044433594	148.0
422.8401794433594	188.0
423.0858459472656	1048.0
424.0807800292969	720.0
425.09307861328125	232.0
429.4730224609375	140.0
430.07135009765625	300.0
430.2596435546875	188.0
431.0826110839844	148.0
432.0860900878906	2616.0
432.2063293457031	156.0
433.0869140625	484.0
433.8422546386719	220.0
433.9707946777344	168.0
434.0827331542969	1604.0
434.1569519042969	120.0
435.0829772949219	524.0
436.0844421386719	300.0
444.0991516113281	128.0
445.6618347167969	140.0
445.7743835449219	172.0
445.8509521484375	176.0
446.1038818359375	15444.0
447.105712890625	3840.0
447.2163391113281	96.0
447.99847412109375	220.0
448.0987854003906	7128.0
448.24578857421875	128.0
448.9974670410156	148.0
449.1028137207031	1680.0
450.0967712402344	1736.0
450.861328125	208.0
451.0984802246094	376.0
451.726318359375	132.0
452.0899963378906	128.0
455.7943115234375	152.0
458.1002502441406	148.0
461.2451171875	148.0
466.3380126953125	132.0
487.1374206542969	144.0
487.4137878417969	148.0
487.6843566894531	144.0
488.38250732421875	148.0
488.71685791015625	244.0
488.8400573730469	160.0
489.0232238769531	128.0
489.146240234375	18556.0
489.680908203125	140.0
490.0898742675781	252.0
490.14849853515625	5468.0
491.14208984375	11184.0
491.4057922363281	120.0
492.14373779296875	3020.0
493.1418151855469	2336.0
493.2130432128906	264.0
493.3830261230469	168.0
494.1441345214844	288.0
494.2100830078125	140.0
495.27996826171875	136.0
495.8592529296875	104.0
531.1619873046875	196.0
547.13232421875	132.0
605.7926025390625	116.0
629.946533203125	180.0
686.0520629882812	172.0
744.0022583007812	168.0
819.4288940429688	96.0
827.2900390625	152.0
842.2293701171875	160.0
910.1976928710938	148.0
1082.45947265625	176.0
1120.558837890625	192.0
1147.3333740234375	160.0
1179.2921142578125	160.0
1182.3765869140625	156.0
1193.819580078125	172.0
1212.2650146484375	156.0
1229.7489013671875	148.0
1278.5211181640625	164.0
1279.5604248046875	180.0
1296.6324462890625	176.0
1298.8192138671875	164.0
1305.2703857421875	184.0
1306.606201171875	160.0
1311.466796875	220.0
1321.048828125	140.0
1356.0732421875	212.0
1356.923583984375	168.0
1360.9515380859375	144.0
1372.0316162109375	224.0
1373.9932861328125	200.0
1377.5811767578125	148.0
1377.7510986328125	196.0
1381.0848388671875	176.0
1398.9083251953125	168.0
1410.156494140625	224.0
1415.9398193359375	156.0
1418.135009765625	204.0
1443.0596923828125	148.0
1460.547119140625	176.0
1470.8260498046875	148.0
1475.5853271484375	208.0
1498.86474609375	188.0
1503.923828125	180.0
1519.16748046875	144.0
1522.2642822265625	196.0
1533.74755859375	144.0
1552.2371826171875	140.0
1553.931396484375	152.0
1559.9390869140625	156.0
1565.5489501953125	140.0
1573.36279296875	208.0
1578.450927734375	172.0
1586.296875	148.0
1588.0650634765625	148.0
1592.8671875	168.0
1595.0126953125	176.0
1595.10009765625	180.0
1598.424560546875	224.0
1600.6839599609375	132.0
1605.17138671875	184.0
1608.05126953125	176.0
1611.820556640625	232.0
1614.9144287109375	192.0
1616.0823974609375	184.0
1618.7237548828125	168.0
1620.189453125	168.0
1620.7503662109375	188.0
1622.906494140625	152.0
1633.0408935546875	156.0
1638.1923828125	176.0
1641.8436279296875	208.0
1645.30517578125	200.0
1663.7064208984375	144.0
1671.2322998046875	152.0
1671.964599609375	212.0
1674.610595703125	184.0
1676.8104248046875	188.0
1692.76513671875	176.0
1696.98486328125	248.0
1703.5667724609375	164.0
1706.4227294921875	100.0
1708.3182373046875	272.0
1710.6058349609375	160.0
1715.2022705078125	140.0
1716.66162109375	152.0
1733.268310546875	276.0
1742.710693359375	152.0
1750.4462890625	144.0
1752.9619140625	188.0
1753.4619140625	148.0
1757.8818359375	192.0
1763.15966796875	164.0
1765.82666015625	212.0
1766.5460205078125	184.0
1769.5252685546875	140.0
1772.4986572265625	144.0
1776.5733642578125	232.0
1777.61376953125	200.0
1780.3336181640625	164.0
1783.3076171875	152.0
1791.0989990234375	152.0
1800.28369140625	172.0
1802.023681640625	152.0
1807.4349365234375	172.0
1811.7105712890625	248.0
1814.2945556640625	196.0
1817.8916015625	220.0
1828.2420654296875	144.0
1829.4677734375	240.0
1832.9774169921875	168.0
1837.3250732421875	144.0
1843.69482421875	140.0
1851.5655517578125	184.0
1855.8330078125	152.0
1860.9466552734375	144.0
1862.87890625	164.0
1864.296630859375	160.0
1871.7288818359375	176.0
1881.0140380859375	140.0
1889.7857666015625	204.0
1907.4598388671875	176.0
1908.92919921875	172.0
1912.3917236328125	180.0
1912.74853515625	204.0
1919.26513671875	184.0
1921.4281005859375	160.0
1931.7376708984375	152.0
1932.2088623046875	232.0
1935.000732421875	224.0
1936.28662109375	156.0
1938.4429931640625	272.0
1939.1177978515625	164.0
1953.1396484375	140.0
1955.955322265625	144.0
1976.4093017578125	180.0
1989.67138671875	164.0
1990.3994140625	168.0
1997.607177734375	176.0
2001.977294921875	224.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079205
PEPMASS=531.163757
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=35.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_G2_H11_BE3_01_15737.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2
INCHI=InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
INCHIAUX=XMAYWYJOQHXEEK-OZXSUGGESA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079205
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079205
SCANS=1179
45.40902328491211	188.0
45.851348876953125	228.0
49.504940032958984	164.0
50.025840759277344	180.0
50.68966293334961	204.0
56.39960479736328	184.0
56.441463470458984	160.0
57.15394973754883	184.0
59.396427154541016	176.0
61.024169921875	192.0
61.87160110473633	144.0
65.0998306274414	156.0
66.27901458740234	196.0
72.44881439208984	172.0
72.54541015625	172.0
73.89765167236328	180.0
74.05685424804688	152.0
80.13546752929688	200.0
83.21473693847656	188.0
86.31137084960938	176.0
87.46903991699219	140.0
91.976318359375	164.0
92.80467987060547	204.0
95.36061096191406	176.0
96.80036926269531	220.0
97.53018951416016	160.0
97.96308898925781	184.0
99.68839263916016	164.0
100.0390396118164	188.0
100.14596557617188	180.0
100.9382553100586	192.0
101.15432739257812	144.0
102.11141204833984	148.0
102.38511657714844	152.0
104.72029876708984	180.0
105.08927154541016	140.0
105.74523162841797	152.0
107.04885864257812	148.0
108.08302307128906	176.0
109.03694152832031	188.0
109.25526428222656	148.0
110.1036148071289	208.0
110.9971694946289	144.0
111.05697631835938	188.0
111.96172332763672	236.0
112.075439453125	2248.0
113.07220458984375	572.0
113.27142333984375	204.0
114.0903549194336	160.0
114.29027557373047	200.0
114.72474670410156	180.0
115.0572509765625	172.0
116.54177856445312	152.0
117.07679748535156	244.0
118.08525848388672	152.0
118.21289825439453	144.0
120.04607391357422	212.0
120.07904815673828	176.0
121.07781982421875	148.0
121.39119720458984	156.0
121.50963592529297	140.0
121.95761108398438	168.0
122.05994415283203	284.0
122.21051025390625	272.0
122.36898040771484	184.0
127.05206298828125	164.0
128.73773193359375	148.0
130.06739807128906	188.0
131.0467529296875	156.0
131.0696563720703	176.0
131.08560180664062	144.0
131.3820037841797	148.0
132.0789031982422	540.0
133.0607452392578	176.0
134.05972290039062	372.0
134.95802307128906	140.0
135.06716918945312	2184.0
135.70355224609375	176.0
136.07395935058594	772.0
136.10728454589844	156.0
137.08425903320312	192.0
137.98756408691406	148.0
140.0220184326172	180.0
141.2611846923828	168.0
142.3419189453125	176.0
144.0800323486328	632.0
145.0631103515625	412.0
145.08912658691406	424.0
146.0599822998047	520.0
146.09727478027344	1204.0
146.12806701660156	156.0
147.0638885498047	128.0
147.0968475341797	176.0
147.97439575195312	140.0
148.0750732421875	3004.0
149.02700805664062	256.0
149.0760955810547	816.0
149.3819580078125	152.0
150.02120971679688	172.0
151.02845764160156	144.0
151.0592498779297	224.0
152.20970153808594	148.0
152.2882843017578	148.0
152.8660125732422	168.0
153.65447998046875	168.0
154.56124877929688	212.0
156.0807647705078	272.0
156.3056182861328	152.0
157.09042358398438	240.0
158.09486389160156	560.0
158.9768524169922	692.0
159.0196075439453	184.0
159.07171630859375	156.0
159.1066131591797	196.0
160.07589721679688	636.0
160.09812927246094	180.0
160.97186279296875	344.0
161.08335876464844	204.0
161.97470092773438	168.0
162.0904083251953	388.0
162.11912536621094	296.0
162.80406188964844	176.0
163.12306213378906	752.0
164.03550720214844	152.0
165.0081329345703	152.0
165.98878479003906	192.0
167.0229034423828	308.0
167.0816650390625	1940.0
168.08164978027344	308.0
168.16261291503906	160.0
169.20953369140625	160.0
169.50038146972656	136.0
169.969482421875	472.0
170.97950744628906	396.0
171.8997344970703	148.0
171.9639892578125	280.0
172.07533264160156	512.0
172.11325073242188	120.0
172.81948852539062	152.0
172.95578002929688	980.0
173.08154296875	148.0
173.63417053222656	148.0
173.95689392089844	180.0
174.09117126464844	4376.0
174.95457458496094	472.0
175.09519958496094	164.0
175.1219940185547	204.0
176.09169006347656	256.0
176.95391845703125	160.0
177.10195922851562	6288.0
178.01498413085938	144.0
178.10794067382812	2408.0
179.02687072753906	124.0
179.11073303222656	164.0
181.0381317138672	200.0
184.08045959472656	144.0
184.60740661621094	148.0
184.99264526367188	972.0
185.96469116210938	1856.0
186.0899200439453	312.0
186.52694702148438	224.0
186.98683166503906	608.0
187.04922485351562	164.0
187.1227264404297	264.0
187.95941162109375	1000.0
188.10723876953125	612.0
188.12701416015625	164.0
188.96583557128906	336.0
189.13836669921875	580.0
189.95941162109375	180.0
190.091064453125	160.0
190.14370727539062	412.0
191.09597778320312	372.0
191.11932373046875	368.0
191.16555786132812	160.0
192.09902954101562	648.0
192.69863891601562	168.0
193.10342407226562	128.0
197.3513641357422	148.0
197.99217224121094	176.0
198.09144592285156	176.0
198.41807556152344	200.0
200.10780334472656	468.0
200.9923095703125	160.0
201.10964965820312	260.0
201.9945831298828	244.0
202.97557067871094	152.0
203.0336456298828	880.0
203.12237548828125	176.0
203.99266052246094	324.0
204.04202270507812	148.0
204.10006713867188	152.0
204.967041015625	184.0
205.02688598632812	200.0
205.0496826171875	344.0
205.095703125	300.0
205.13150024414062	564.0
206.48001098632812	208.0
207.1211395263672	144.0
207.34461975097656	172.0
207.47073364257812	168.0
209.03543090820312	1092.0
210.04168701171875	148.0
211.03013610839844	284.0
211.4370574951172	152.0
211.7207794189453	152.0
212.00758361816406	228.0
212.12060546875	184.0
212.98240661621094	160.0
213.99301147460938	280.0
215.11300659179688	360.0
215.98992919921875	144.0
216.1027069091797	1580.0
217.00082397460938	156.0
217.1082000732422	384.0
217.13290405273438	5308.0
218.1352996826172	472.0
219.11276245117188	9200.0
219.7714385986328	196.0
220.1202392578125	5080.0
220.489013671875	156.0
221.12318420410156	636.0
221.3765106201172	220.0
222.13218688964844	132.0
224.0079803466797	140.0
224.9934844970703	204.0
225.94705200195312	120.0
227.00572204589844	184.0
227.9933624267578	280.0
228.9891815185547	164.0
230.13720703125	228.0
230.42503356933594	180.0
231.14816284179688	144.0
232.12001037597656	156.0
232.1533660888672	140.0
233.04852294921875	200.0
233.10269165039062	148.0
233.12890625	448.0
233.95208740234375	152.0
234.0421600341797	192.0
234.11305236816406	936.0
235.04527282714844	208.0
235.1428680419922	2416.0
236.1154327392578	164.0
236.14471435546875	492.0
238.0044708251953	1956.0
239.0072479248047	348.0
240.0038604736328	1120.0
241.00595092773438	136.0
241.13291931152344	144.0
241.26583862304688	192.0
242.0030975341797	280.0
243.1646270751953	160.0
243.90228271484375	112.0
244.00543212890625	4520.0
244.6161651611328	148.0
245.0108642578125	732.0
246.0008544921875	2908.0
246.0501708984375	152.0
246.1315155029297	152.0
246.16256713867188	156.0
247.00462341308594	112.0
247.06436157226562	756.0
247.14187622070312	252.0
247.9987335205078	272.0
248.1431884765625	144.0
249.05914306640625	176.0
249.39572143554688	188.0
255.0084228515625	4404.0
255.85523986816406	144.0
256.01397705078125	504.0
256.67724609375	144.0
256.8558654785156	176.0
257.0058288574219	3076.0
257.1302490234375	144.0
258.0082702636719	396.0
258.3700256347656	144.0
259.0046081542969	312.0
259.1436767578125	1272.0
259.6929626464844	188.0
260.1457214355469	228.0
260.7267761230469	188.0
262.1317138671875	164.0
265.102783203125	172.0
266.5078125	192.0
267.00799560546875	1764.0
267.24261474609375	144.0
268.015869140625	500.0
269.006103515625	1328.0
270.0086669921875	224.0
271.0017395019531	324.0
272.9959411621094	120.0
273.04571533203125	164.0
273.1608581542969	208.0
276.13446044921875	164.0
277.0762634277344	140.0
277.1533508300781	284.0
279.0674133300781	144.0
281.0234680175781	672.0
282.0276184082031	1244.0
282.1246032714844	188.0
283.0267028808594	300.0
283.9830017089844	168.0
284.0303649902344	408.0
286.0191650390625	144.0
286.8073425292969	160.0
292.97900390625	104.0
295.03985595703125	136.0
297.02850341796875	244.0
298.01751708984375	112.0
299.00799560546875	292.0
299.359130859375	216.0
300.00616455078125	128.0
301.5048828125	188.0
302.00274658203125	128.0
302.040771484375	148.0
302.2898864746094	164.0
310.1434326171875	188.0
311.03826904296875	528.0
313.0362854003906	496.0
314.02490234375	152.0
319.7540588378906	144.0
320.02459716796875	196.0
320.0602111816406	172.0
321.67877197265625	180.0
322.1062927246094	172.0
323.0212707519531	220.0
323.70953369140625	156.0
327.0116882324219	128.0
339.4628601074219	172.0
343.1397705078125	144.0
344.0547180175781	168.0
346.2807312011719	176.0
350.033935546875	152.0
352.0339660644531	148.0
353.0504150390625	168.0
353.6714782714844	164.0
353.8099670410156	172.0
355.0277099609375	180.0
368.0148010253906	148.0
368.6068420410156	164.0
373.62957763671875	144.0
377.0536193847656	160.0
377.0806884765625	152.0
378.06494140625	544.0
379.07281494140625	172.0
379.8297119140625	172.0
380.0627136230469	528.0
381.06964111328125	172.0
381.6549987792969	148.0
382.0499572753906	144.0
387.5252685546875	156.0
388.0818176269531	172.0
390.9768371582031	144.0
393.0811767578125	148.0
397.0727844238281	176.0
404.0782165527344	240.0
406.96527099609375	200.0
407.2222900390625	140.0
407.88525390625	140.0
410.76031494140625	172.0
419.1097717285156	204.0
420.0840759277344	484.0
420.971923828125	144.0
421.10638427734375	1336.0
422.0769958496094	380.0
423.10406494140625	984.0
424.08245849609375	200.0
424.1166076660156	292.0
432.0904846191406	116.0
432.81890869140625	140.0
438.9854431152344	348.0
442.248291015625	144.0
443.5006408691406	156.0
444.0860595703125	112.0
446.0999755859375	708.0
446.14288330078125	148.0
447.1110534667969	120.0
448.0998229980469	248.0
448.2664489746094	216.0
449.1033020019531	144.0
450.0957336425781	144.0
451.2886657714844	148.0
451.8215637207031	184.0
453.15093994140625	148.0
458.47943115234375	176.0
459.7801513671875	148.0
460.0746765136719	168.0
461.0940856933594	152.0
463.1134338378906	208.0
464.1277160644531	208.0
464.93707275390625	164.0
465.1081237792969	108.0
466.1222839355469	220.0
471.1114807128906	160.0
472.1218566894531	108.0
476.5746765136719	148.0
476.9726867675781	204.0
478.3185729980469	144.0
483.3155517578125	188.0
483.68756103515625	212.0
487.10601806640625	196.0
489.1449279785156	7248.0
489.2511901855469	204.0
489.453857421875	136.0
489.5575866699219	152.0
490.06195068359375	128.0
490.1468200683594	2060.0
491.06201171875	120.0
491.1437683105469	5340.0
491.4132995605469	180.0
492.14654541015625	1248.0
493.14459228515625	928.0
493.2046813964844	104.0
493.27471923828125	108.0
494.1580810546875	156.0
496.03912353515625	144.0
499.4715576171875	140.0
501.3721008300781	188.0
503.54534912109375	152.0
504.8011169433594	248.0
509.673583984375	176.0
510.95947265625	208.0
513.11669921875	220.0
514.1482543945312	140.0
514.3302001953125	196.0
515.1500244140625	116.0
516.92431640625	168.0
516.9559936523438	152.0
521.458740234375	152.0
522.2186279296875	156.0
522.4915771484375	152.0
524.281005859375	156.0
524.4633178710938	252.0
524.945068359375	112.0
525.2886352539062	160.0
527.3113403320312	156.0
528.0599975585938	216.0
528.3292846679688	148.0
528.6831665039062	112.0
528.7656860351562	180.0
528.9213256835938	328.0
529.1558837890625	288.0
529.3189697265625	144.0
529.5667724609375	132.0
529.8837280273438	200.0
529.956298828125	176.0
530.1148071289062	128.0
530.1881713867188	132.0
530.2197875976562	224.0
530.2743530273438	224.0
530.4368896484375	444.0
530.509033203125	192.0
530.56640625	236.0
530.654541015625	160.0
530.7349853515625	108.0
530.7808227539062	200.0
530.8335571289062	144.0
530.9754638671875	180.0
531.0278930664062	228.0
531.157470703125	120576.0
531.3768310546875	160.0
531.4743041992188	168.0
531.52099609375	248.0
531.5865478515625	136.0
531.6609497070312	192.0
531.7825927734375	300.0
531.8554077148438	192.0
531.9161987304688	264.0
532.008056640625	252.0
532.1596069335938	36240.0
532.288330078125	116.0
532.4034423828125	208.0
532.47265625	208.0
532.5712890625	268.0
532.6430053710938	140.0
532.72802734375	152.0
532.7650146484375	156.0
532.9430541992188	108.0
533.0164184570312	212.0
533.1544189453125	77880.0
533.2722778320312	196.0
533.4015502929688	144.0
533.47900390625	296.0
533.5601196289062	300.0
533.712158203125	108.0
533.7725830078125	196.0
533.8922119140625	188.0
533.953369140625	232.0
534.072021484375	180.0
534.1563110351562	16852.0
534.2719116210938	224.0
534.3564453125	132.0
534.4317626953125	148.0
534.5741577148438	116.0
534.7072143554688	132.0
534.7537841796875	148.0
534.8773803710938	220.0
534.96337890625	148.0
535.0667724609375	124.0
535.1509399414062	8432.0
535.6883544921875	200.0
535.8388061523438	116.0
535.9439086914062	184.0
536.1536865234375	448.0
536.3314819335938	300.0
536.3809814453125	152.0
536.9679565429688	204.0
537.1009521484375	156.0
537.2001953125	108.0
537.3035278320312	140.0
538.2078857421875	192.0
538.6204833984375	100.0
538.930419921875	148.0
539.0576782226562	104.0
539.712890625	172.0
546.0068969726562	160.0
546.220458984375	96.0
579.5305786132812	140.0
701.4271850585938	172.0
729.422119140625	144.0
743.3759155273438	120.0
889.225830078125	156.0
1115.2286376953125	152.0
1179.1075439453125	232.0
1361.6785888671875	148.0
1412.6090087890625	184.0
1431.12353515625	168.0
1561.228515625	156.0
1585.9639892578125	160.0
1593.2802734375	156.0
1595.4649658203125	112.0
1644.933837890625	144.0
1706.0897216796875	188.0
1739.4635009765625	220.0
1767.3909912109375	232.0
1802.5474853515625	140.0
1817.0006103515625	156.0
1823.360595703125	164.0
1856.8448486328125	156.0
1864.94970703125	176.0
1871.522216796875	176.0
1878.8739013671875	144.0
1886.3092041015625	140.0
1898.8726806640625	188.0
1900.9981689453125	184.0
1923.417724609375	140.0
1960.30615234375	156.0
1967.9801025390625	204.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079206
PEPMASS=347.097107
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_G2_H11_BE3_01_15737.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Raclopride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCN1CCC[C@H]1CNC(=O)c2c(O)c(Cl)cc(Cl)c2OC
INCHI=InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
INCHIAUX=WAOQONBSWFLFPE-VIFPVBQESA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079206
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079206
SCANS=1155
45.44397735595703	168.0
45.74232864379883	144.0
45.95930862426758	272.0
47.70951461791992	172.0
49.110904693603516	236.0
49.26165771484375	176.0
50.6656608581543	148.0
52.02477264404297	184.0
52.11669158935547	248.0
53.33934783935547	172.0
54.42777633666992	204.0
55.04771041870117	164.0
58.17422103881836	212.0
61.39019775390625	164.0
61.627464294433594	180.0
63.867706298828125	148.0
67.70614624023438	228.0
68.12769317626953	148.0
68.76823425292969	160.0
69.93675231933594	144.0
70.05664825439453	144.0
70.43531036376953	168.0
70.94569396972656	156.0
76.13179016113281	140.0
76.19953155517578	144.0
77.76768493652344	224.0
78.24230194091797	196.0
79.10733032226562	168.0
79.57536315917969	196.0
79.62863159179688	144.0
79.687255859375	176.0
80.3013916015625	204.0
80.8462905883789	388.0
82.54084777832031	180.0
83.38563537597656	156.0
83.47653198242188	196.0
86.95990753173828	168.0
87.15118408203125	156.0
91.8333740234375	180.0
91.94754028320312	172.0
92.71282958984375	252.0
92.77799987792969	192.0
93.31940460205078	140.0
93.34632110595703	164.0
93.96460723876953	168.0
96.07933807373047	176.0
98.09716796875	1492.0
98.12486267089844	148.0
98.84381866455078	212.0
99.10099792480469	180.0
104.39485931396484	204.0
105.189453125	196.0
106.21871948242188	172.0
108.05010986328125	148.0
108.09149169921875	172.0
108.43111419677734	140.0
108.85015869140625	144.0
109.50524139404297	164.0
110.10025787353516	224.0
110.51351165771484	168.0
111.10643005371094	256.0
111.8840103149414	260.0
112.05929565429688	176.0
112.07525634765625	204.0
112.11285400390625	18244.0
112.27803802490234	152.0
112.4204330444336	152.0
112.48831176757812	132.0
113.1166000366211	1168.0
113.96875762939453	184.0
114.60133361816406	172.0
116.83867645263672	144.0
117.92115020751953	144.0
122.42424011230469	144.0
128.8712158203125	200.0
129.00230407714844	156.0
129.13880920410156	6288.0
129.44573974609375	144.0
130.07958984375	116.0
130.1407012939453	1060.0
131.60589599609375	144.0
132.94039916992188	156.0
135.5855712890625	168.0
138.77212524414062	180.0
140.24607849121094	236.0
143.0816192626953	156.0
143.42703247070312	156.0
143.7299041748047	160.0
145.69796752929688	196.0
146.3979034423828	152.0
148.18080139160156	172.0
148.81838989257812	144.0
149.29708862304688	196.0
151.9743194580078	140.0
152.4678955078125	208.0
153.36375427246094	152.0
154.9923553466797	164.0
155.9279022216797	184.0
156.149169921875	148.0
158.73890686035156	168.0
158.9245147705078	140.0
159.3563690185547	192.0
161.31959533691406	148.0
162.1675567626953	188.0
162.80941772460938	212.0
164.31629943847656	156.0
166.2969207763672	148.0
167.7115478515625	192.0
167.9564971923828	144.0
168.3927001953125	168.0
168.6329803466797	212.0
169.48178100585938	204.0
170.96710205078125	160.0
172.5608673095703	156.0
173.27273559570312	184.0
175.94273376464844	344.0
176.4206085205078	136.0
177.94300842285156	204.0
178.46170043945312	192.0
179.1003875732422	144.0
179.93504333496094	216.0
180.54159545898438	200.0
180.6673126220703	140.0
183.0991668701172	220.0
183.6651611328125	188.0
183.99217224121094	280.0
184.6969757080078	152.0
187.7279510498047	164.0
190.96780395507812	276.0
191.2346954345703	156.0
192.96153259277344	176.0
193.86387634277344	148.0
194.1355438232422	240.0
196.11781311035156	164.0
197.6342010498047	164.0
202.4449005126953	160.0
203.29251098632812	212.0
203.65591430664062	140.0
203.93765258789062	1084.0
203.97433471679688	128.0
204.9397735595703	196.0
204.9816436767578	176.0
205.9335479736328	1044.0
206.93821716308594	212.0
212.5589141845703	160.0
218.79627990722656	200.0
218.96131896972656	9860.0
219.2410430908203	216.0
219.9639129638672	936.0
220.29733276367188	148.0
220.95887756347656	5784.0
221.12620544433594	124.0
221.5254669189453	120.0
221.6830596923828	260.0
221.74424743652344	160.0
221.95806884765625	808.0
222.96995544433594	164.0
223.8802947998047	148.0
223.9475860595703	304.0
224.1990509033203	176.0
224.54489135742188	212.0
224.78756713867188	160.0
225.53912353515625	208.0
227.0930938720703	148.0
230.17474365234375	140.0
230.313232421875	120.0
230.818359375	156.0
234.14431762695312	144.0
235.60537719726562	216.0
238.1017608642578	156.0
238.20005798339844	188.0
238.9501495361328	168.0
239.69834899902344	156.0
244.5138702392578	144.0
247.91793823242188	160.0
247.96807861328125	144.0
249.85525512695312	156.0
251.13101196289062	188.0
254.48223876953125	168.0
254.6822967529297	164.0
255.56605529785156	256.0
257.11474609375	176.0
258.5688781738281	140.0
260.1330261230469	144.0
260.8313903808594	176.0
262.64935302734375	168.0
262.8848571777344	148.0
264.0122985839844	180.0
264.3487243652344	164.0
266.4205322265625	168.0
268.31787109375	144.0
273.1152648925781	192.0
274.4226379394531	188.0
275.6372985839844	152.0
279.11444091796875	148.0
279.7698669433594	156.0
285.4443664550781	140.0
286.0567932128906	128.0
289.86297607421875	156.0
290.0374450683594	152.0
296.3061218261719	144.0
298.1762390136719	140.0
305.24932861328125	148.0
306.5826110839844	180.0
307.87335205078125	180.0
309.5869140625	156.0
312.9684753417969	180.0
313.1058044433594	176.0
315.6466064453125	228.0
316.87835693359375	168.0
324.35498046875	168.0
325.1584167480469	164.0
326.886962890625	192.0
329.0809326171875	176.0
330.09381103515625	328.0
331.0744934082031	256.0
332.8731384277344	180.0
335.4417419433594	148.0
336.4266662597656	188.0
339.2801208496094	156.0
340.0577697753906	152.0
341.1252746582031	172.0
342.0793762207031	140.0
343.7989501953125	132.0
343.9814758300781	148.0
344.1919250488281	184.0
344.2471618652344	200.0
344.8582458496094	136.0
344.92340087890625	192.0
345.1972961425781	96.0
345.482421875	140.0
345.5363464355469	160.0
345.7503967285156	148.0
345.8663635253906	112.0
345.9370422363281	420.0
346.2627868652344	180.0
346.2887268066406	188.0
346.481689453125	304.0
346.71478271484375	184.0
346.7518310546875	144.0
346.9007568359375	300.0
346.92828369140625	100.0
346.9654846191406	164.0
347.02069091796875	200.0
347.09466552734375	141676.0
347.1839599609375	128.0
347.2709655761719	196.0
347.3371887207031	204.0
347.39202880859375	212.0
347.4402770996094	132.0
347.4562683105469	172.0
347.569091796875	176.0
347.62921142578125	96.0
347.7035827636719	988.0
347.8515319824219	124.0
347.9833679199219	252.0
348.0409851074219	104.0
348.0968322753906	19664.0
348.20123291015625	96.0
348.3232116699219	148.0
348.414794921875	292.0
348.5272216796875	240.0
348.652099609375	196.0
348.711181640625	156.0
348.78570556640625	208.0
348.82611083984375	188.0
348.87628173828125	256.0
348.9168395996094	272.0
349.0263366699219	248.0
349.0915832519531	76536.0
349.1627197265625	300.0
349.3352355957031	132.0
349.3651123046875	140.0
349.4599609375	256.0
349.6199645996094	104.0
349.7073974609375	108.0
349.75909423828125	96.0
349.83514404296875	160.0
349.9449462890625	168.0
349.9731140136719	212.0
350.0057678222656	196.0
350.09375	8272.0
350.24957275390625	180.0
350.40203857421875	308.0
350.4449157714844	144.0
350.5145263671875	168.0
350.6396179199219	136.0
351.0313720703125	100.0
351.0848693847656	744.0
351.1911315917969	152.0
351.3003845214844	96.0
351.3525695800781	100.0
351.9501037597656	128.0
352.0408630371094	168.0
352.0807189941406	100.0
352.2685852050781	160.0
352.6003723144531	96.0
352.72442626953125	124.0
353.0721130371094	132.0
353.32733154296875	108.0
354.232421875	112.0
356.6690368652344	172.0
357.0428466796875	140.0
366.10125732421875	192.0
419.9931640625	156.0
907.2713623046875	148.0
1076.4322509765625	144.0
1483.534423828125	144.0
1497.357421875	180.0
1529.0770263671875	160.0
1568.7662353515625	156.0
1569.6729736328125	140.0
1574.083984375	152.0
1579.5372314453125	172.0
1614.4932861328125	200.0
1615.1971435546875	160.0
1671.4141845703125	172.0
1689.6495361328125	148.0
1734.8543701171875	208.0
1771.219970703125	164.0
1778.170654296875	208.0
1781.008544921875	144.0
1790.9337158203125	216.0
1805.593994140625	212.0
1817.470458984375	168.0
1836.842041015625	184.0
1857.3634033203125	240.0
1858.7010498046875	148.0
1875.470947265625	140.0
1876.8330078125	196.0
1906.428955078125	168.0
1907.7239990234375	148.0
1913.7269287109375	148.0
1921.98974609375	140.0
1930.7340087890625	212.0
1932.2822265625	156.0
1933.551025390625	168.0
1936.5277099609375	180.0
1948.3258056640625	156.0
1963.10400390625	164.0
1964.5328369140625	152.0
1968.531005859375	184.0
1969.89990234375	168.0
1971.6397705078125	224.0
1982.2509765625	208.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079207
PEPMASS=212.098297
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_G2_H11_BE3_01_15737.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=SR 57227A [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=NC1CCN(CC1)c2cccc(Cl)n2
INCHI=InChI=1S/C10H14ClN3/c11-9-2-1-3-10(13-9)14-6-4-8(12)5-7-14/h1-3,8H,4-7,12H2
INCHIAUX=WPVVMKYQOMJPIN-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079207
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079207
SCANS=1057
45.09711837768555	188.0
45.11716842651367	164.0
45.909908294677734	204.0
46.161476135253906	164.0
46.434112548828125	156.0
46.469383239746094	232.0
46.54946517944336	156.0
46.822811126708984	204.0
46.931827545166016	148.0
47.277427673339844	144.0
47.42671203613281	196.0
47.455501556396484	356.0
47.92005920410156	144.0
48.88518524169922	148.0
49.33150863647461	180.0
49.490562438964844	204.0
50.310672760009766	176.0
50.59482955932617	144.0
50.78045654296875	168.0
50.81734085083008	180.0
50.88404846191406	244.0
51.004798889160156	152.0
51.39786911010742	168.0
51.47494888305664	160.0
51.71656036376953	144.0
52.03479766845703	140.0
52.212982177734375	144.0
52.50735092163086	212.0
52.534183502197266	160.0
53.76607894897461	168.0
53.82155227661133	164.0
53.944190979003906	140.0
54.20039367675781	168.0
54.791038513183594	184.0
54.872100830078125	200.0
54.99306106567383	144.0
55.13466262817383	144.0
55.27684783935547	160.0
55.69192123413086	152.0
56.5462532043457	156.0
56.66455078125	140.0
56.69751739501953	152.0
56.94206237792969	140.0
57.16606140136719	148.0
57.65618133544922	156.0
57.671295166015625	212.0
58.140804290771484	164.0
58.35042190551758	160.0
58.39299774169922	212.0
58.42494201660156	184.0
58.540618896484375	188.0
58.65945816040039	256.0
59.399574279785156	176.0
59.6880989074707	148.0
59.71906280517578	168.0
60.21689224243164	212.0
60.33433151245117	160.0
61.13935852050781	144.0
61.35742950439453	280.0
61.43852615356445	192.0
61.53997039794922	144.0
61.579010009765625	176.0
62.72758102416992	172.0
62.77354431152344	132.0
63.375545501708984	168.0
63.864498138427734	168.0
64.4559555053711	164.0
64.56465911865234	156.0
65.29598236083984	164.0
65.84716796875	176.0
66.21267700195312	200.0
67.87654876708984	156.0
68.01107788085938	184.0
68.39076232910156	272.0
68.59831237792969	156.0
68.88213348388672	168.0
69.17317199707031	168.0
69.82215118408203	148.0
69.87515258789062	208.0
70.39686584472656	152.0
70.6709976196289	192.0
71.00602722167969	140.0
71.63129425048828	164.0
73.46210479736328	204.0
74.00785064697266	208.0
74.75056457519531	184.0
74.77978515625	156.0
75.62724304199219	152.0
75.73711395263672	176.0
75.77963256835938	144.0
76.0918197631836	212.0
76.70068359375	180.0
77.6430892944336	172.0
77.74132537841797	204.0
77.86597442626953	144.0
78.16834259033203	200.0
78.71479797363281	288.0
78.9940414428711	168.0
79.29505157470703	184.0
79.8927230834961	164.0
80.33168029785156	164.0
80.53517150878906	168.0
81.34092712402344	160.0
81.71292877197266	144.0
82.5914535522461	172.0
83.8460464477539	164.0
84.2200698852539	204.0
84.24198913574219	140.0
84.70113372802734	184.0
84.79090881347656	200.0
85.17070770263672	180.0
85.62316131591797	176.0
86.17101287841797	180.0
86.5186996459961	176.0
86.939453125	192.0
87.09355163574219	204.0
87.67589569091797	188.0
88.026611328125	220.0
88.36492156982422	156.0
88.37802124023438	156.0
88.98340606689453	156.0
89.35365295410156	228.0
89.90008544921875	172.0
90.88406372070312	156.0
91.0928955078125	164.0
91.43324279785156	144.0
92.96016693115234	160.0
93.04462432861328	160.0
93.08302307128906	196.0
94.0301742553711	320.0
94.78630828857422	148.0
95.18395233154297	216.0
95.32964324951172	168.0
96.39948272705078	216.0
96.8945083618164	224.0
97.7249984741211	188.0
99.09325408935547	204.0
99.3708267211914	208.0
100.1899185180664	192.0
100.68659210205078	160.0
100.92638397216797	148.0
101.00238037109375	180.0
101.13644409179688	160.0
101.33269500732422	168.0
101.96076202392578	188.0
102.29666137695312	164.0
103.34003448486328	152.0
104.05078887939453	640.0
104.0987548828125	168.0
104.45379638671875	220.0
104.90441131591797	152.0
105.04463958740234	3116.0
105.06900787353516	180.0
105.0853271484375	144.0
105.5939712524414	152.0
106.04876708984375	156.0
106.32742309570312	140.0
106.36026000976562	156.0
106.53069305419922	188.0
106.84728240966797	152.0
107.24471282958984	144.0
107.30655670166016	160.0
107.42204284667969	184.0
107.45298767089844	148.0
107.52108001708984	208.0
107.67798614501953	232.0
107.76681518554688	152.0
107.89288330078125	192.0
108.20941925048828	204.0
109.14725494384766	168.0
109.89918518066406	260.0
110.81915283203125	148.0
111.10009002685547	140.0
111.32047271728516	156.0
111.42969512939453	176.0
111.89238739013672	140.0
111.99537658691406	3364.0
112.03849029541016	288.0
112.37712860107422	160.0
112.44465637207031	184.0
112.56224822998047	104.0
112.99893951416016	320.0
113.2417221069336	140.0
113.5750961303711	140.0
113.62752532958984	152.0
113.9918441772461	1584.0
114.01006317138672	792.0
114.24148559570312	188.0
114.6119384765625	160.0
114.87203979492188	172.0
115.05342864990234	204.0
115.81468963623047	164.0
115.84253692626953	208.0
116.00657653808594	156.0
116.0504150390625	144.0
116.1731185913086	224.0
116.33522033691406	160.0
116.74183654785156	176.0
117.04093933105469	168.0
117.06050109863281	172.0
117.1960220336914	148.0
117.37492370605469	236.0
118.15030670166016	152.0
118.488037109375	144.0
118.85011291503906	172.0
119.06182098388672	492.0
119.20404815673828	180.0
119.94837951660156	212.0
120.0658187866211	276.0
120.18391418457031	196.0
120.34542846679688	148.0
120.67316436767578	148.0
120.86125946044922	160.0
121.07140350341797	172.0
121.79254913330078	164.0
121.9907455444336	192.0
122.14686584472656	168.0
122.39556121826172	176.0
122.75252532958984	164.0
122.87384033203125	156.0
122.91826629638672	148.0
123.54544067382812	156.0
124.1087417602539	176.0
124.74738311767578	224.0
124.96087646484375	148.0
125.30596923828125	184.0
126.01299285888672	356.0
126.47388458251953	180.0
126.48955535888672	180.0
127.5662841796875	140.0
127.72368621826172	156.0
128.0131378173828	212.0
128.48509216308594	140.0
128.57083129882812	204.0
129.0198974609375	656.0
129.64730834960938	184.0
129.89443969726562	140.0
129.94888305664062	184.0
130.0066680908203	1168.0
130.05099487304688	156.0
130.41213989257812	212.0
130.83523559570312	180.0
130.94908142089844	164.0
131.02145385742188	360.0
131.06089782714844	4360.0
131.177978515625	220.0
131.8982696533203	160.0
132.0033416748047	456.0
132.06781005859375	3840.0
133.07557678222656	168.0
133.54457092285156	160.0
134.1040496826172	196.0
134.535400390625	240.0
134.6069793701172	156.0
134.7524871826172	160.0
134.90733337402344	172.0
135.15248107910156	208.0
135.4534454345703	180.0
137.05880737304688	140.0
137.47386169433594	152.0
138.01812744140625	160.0
138.14442443847656	168.0
138.2590789794922	152.0
138.65017700195312	172.0
139.0059814453125	1260.0
139.3118438720703	188.0
139.3306427001953	148.0
139.8126678466797	236.0
139.93270874023438	180.0
140.0292510986328	156.0
140.13446044921875	212.0
140.7012939453125	160.0
140.8878631591797	144.0
140.91986083984375	212.0
140.93862915039062	172.0
140.97804260253906	168.0
141.02206420898438	88072.0
141.0782928466797	280.0
141.35244750976562	120.0
141.41799926757812	104.0
141.5634765625	124.0
141.64019775390625	96.0
142.0244140625	4436.0
142.06895446777344	180.0
142.5226287841797	156.0
142.57785034179688	168.0
142.7142333984375	120.0
142.80596923828125	108.0
142.87513732910156	328.0
142.91256713867188	144.0
142.93789672851562	124.0
143.0191192626953	18860.0
143.07093811035156	428.0
143.1125030517578	152.0
143.14801025390625	100.0
143.20526123046875	168.0
143.2361602783203	108.0
143.6288299560547	152.0
143.66188049316406	116.0
144.02001953125	368.0
144.5877227783203	144.0
144.9676513671875	112.0
145.00205993652344	180.0
145.4203338623047	180.0
146.13546752929688	160.0
149.04664611816406	176.0
149.07176208496094	224.0
149.1657257080078	144.0
149.6595916748047	212.0
150.0079345703125	204.0
150.10549926757812	232.0
150.3689727783203	148.0
151.0194854736328	220.0
152.00779724121094	168.0
152.80224609375	160.0
152.98435974121094	156.0
153.02243041992188	2140.0
153.38587951660156	196.0
153.7731170654297	148.0
154.018798828125	272.0
154.04409790039062	172.0
154.4995880126953	184.0
154.5639190673828	204.0
155.0188751220703	568.0
155.04928588867188	144.0
155.42620849609375	180.0
155.82595825195312	144.0
155.95765686035156	144.0
156.0695343017578	168.0
157.0157928466797	156.0
157.0345001220703	184.0
157.07801818847656	156.0
158.0850372314453	384.0
158.14508056640625	140.0
158.9420166015625	156.0
159.0133514404297	112.0
159.09295654296875	168.0
159.1503448486328	172.0
159.72836303710938	220.0
160.0983428955078	152.0
161.4889373779297	148.0
162.06358337402344	204.0
162.39312744140625	144.0
162.8068084716797	164.0
163.42449951171875	140.0
164.14279174804688	144.0
165.02085876464844	676.0
166.0292510986328	404.0
166.4329071044922	148.0
166.66921997070312	144.0
167.03799438476562	12196.0
167.26071166992188	144.0
168.03842163085938	924.0
168.08975219726562	112.0
169.0342559814453	4576.0
170.03924560546875	392.0
173.07623291015625	144.0
173.85476684570312	156.0
174.2670135498047	176.0
174.48252868652344	164.0
175.57791137695312	228.0
178.0535125732422	200.0
179.0374298095703	944.0
179.065673828125	164.0
179.10296630859375	152.0
179.31344604492188	180.0
179.76681518554688	160.0
180.0451202392578	1052.0
180.58163452148438	180.0
181.0325164794922	140.0
181.0524139404297	144.0
181.07945251464844	192.0
181.67987060546875	180.0
182.0414276123047	468.0
184.15362548828125	176.0
184.4940948486328	236.0
184.537353515625	184.0
184.6563262939453	200.0
186.965087890625	168.0
187.20191955566406	148.0
187.5806427001953	164.0
191.01998901367188	172.0
191.11627197265625	228.0
191.3282012939453	252.0
193.052490234375	828.0
194.05648803710938	156.0
194.37680053710938	144.0
194.6297149658203	228.0
194.66122436523438	172.0
194.68515014648438	256.0
194.9273223876953	128.0
195.0693817138672	99200.0
195.24893188476562	140.0
195.334228515625	104.0
195.35855102539062	280.0
195.4896240234375	128.0
195.52728271484375	244.0
195.68951416015625	156.0
196.0714569091797	9592.0
196.21656799316406	132.0
196.25869750976562	176.0
196.28683471679688	100.0
196.9575958251953	180.0
197.00694274902344	216.0
197.06578063964844	24848.0
197.44935607910156	164.0
197.5928497314453	120.0
197.64285278320312	132.0
198.06968688964844	728.0
198.3426513671875	112.0
199.2631072998047	152.0
199.56765747070312	132.0
205.72024536132812	144.0
208.1768341064453	172.0
209.71023559570312	156.0
210.16299438476562	144.0
210.8936004638672	216.0
210.98033142089844	172.0
211.12347412109375	4124.0
211.26083374023438	148.0
211.79345703125	192.0
211.97886657714844	188.0
212.05380249023438	160.0
212.09571838378906	26100.0
212.2226104736328	140.0
212.7736053466797	144.0
213.09701538085938	4124.0
213.14340209960938	136.0
213.2344512939453	116.0
213.7421112060547	124.0
213.91607666015625	164.0
214.09307861328125	7924.0
214.12684631347656	276.0
214.30003356933594	100.0
214.4768524169922	156.0
214.9915771484375	220.0
215.09425354003906	488.0
264.4715881347656	160.0
868.41259765625	108.0
1099.0318603515625	164.0
1141.2149658203125	276.0
1142.37841796875	156.0
1149.1153564453125	176.0
1168.1112060546875	256.0
1177.6402587890625	160.0
1240.9219970703125	176.0
1253.799560546875	140.0
1278.8074951171875	140.0
1323.9239501953125	192.0
1332.1417236328125	172.0
1337.2679443359375	260.0
1338.1778564453125	148.0
1363.4949951171875	172.0
1363.693359375	176.0
1379.8294677734375	140.0
1398.0244140625	140.0
1407.7080078125	152.0
1407.9544677734375	200.0
1424.4923095703125	160.0
1485.343505859375	176.0
1505.585693359375	188.0
1512.2886962890625	204.0
1512.4434814453125	160.0
1517.6649169921875	180.0
1529.5433349609375	168.0
1531.545654296875	128.0
1551.447265625	224.0
1554.2236328125	120.0
1554.725830078125	156.0
1561.29345703125	168.0
1574.1781005859375	212.0
1579.0540771484375	252.0
1582.9635009765625	152.0
1596.6287841796875	208.0
1600.8624267578125	280.0
1602.973388671875	152.0
1617.5570068359375	188.0
1618.1573486328125	184.0
1634.330078125	176.0
1644.1611328125	140.0
1649.7989501953125	244.0
1655.9000244140625	260.0
1670.0792236328125	208.0
1675.59033203125	140.0
1676.291015625	176.0
1689.656982421875	144.0
1692.587158203125	156.0
1695.1182861328125	188.0
1696.675537109375	140.0
1712.0078125	180.0
1712.5101318359375	228.0
1714.4874267578125	160.0
1716.5731201171875	184.0
1720.186767578125	184.0
1721.4830322265625	192.0
1728.023681640625	116.0
1728.1866455078125	140.0
1730.7359619140625	168.0
1737.482421875	144.0
1744.0177001953125	172.0
1748.8167724609375	188.0
1751.53955078125	152.0
1771.6630859375	184.0
1772.2496337890625	140.0
1773.2384033203125	172.0
1773.950927734375	160.0
1779.916015625	144.0
1785.8743896484375	172.0
1786.160400390625	172.0
1786.5389404296875	152.0
1786.8837890625	176.0
1789.54345703125	148.0
1789.8970947265625	156.0
1793.4522705078125	156.0
1800.598388671875	144.0
1801.671142578125	212.0
1809.748046875	176.0
1815.7984619140625	224.0
1818.1400146484375	232.0
1821.3153076171875	148.0
1825.2841796875	140.0
1825.59033203125	140.0
1829.7510986328125	160.0
1832.51904296875	148.0
1833.1240234375	184.0
1840.6304931640625	212.0
1846.6895751953125	256.0
1859.395263671875	156.0
1862.073974609375	148.0
1863.7060546875	172.0
1865.682861328125	208.0
1885.6719970703125	148.0
1890.3505859375	200.0
1905.6634521484375	188.0
1907.3319091796875	280.0
1921.064208984375	160.0
1928.92333984375	188.0
1932.64013671875	240.0
1933.130126953125	152.0
1935.46728515625	168.0
1936.6407470703125	140.0
1946.9195556640625	188.0
1947.08642578125	148.0
1947.859375	164.0
1952.95751953125	188.0
1953.5556640625	172.0
1960.2734375	144.0
1963.1912841796875	200.0
1972.41748046875	200.0
1980.221435546875	168.0
1984.1380615234375	176.0
1992.0361328125	176.0
2002.309326171875	204.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079208
PEPMASS=189.142151
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_G2_H11_BE3_01_15737.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="1H-Cyclopenta[b]quinolin-9-amine, 2,3,5,6,7,8-hexahydro-, monohydrochloride- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Nc1c2CCCc2nc3CCCCc13
INCHI=InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)
INCHIAUX=YLUSMKAJIQOXPV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079208
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079208
SCANS=1023
45.02096176147461	192.0
45.398956298828125	192.0
45.44797897338867	144.0
45.545982360839844	148.0
45.885101318359375	176.0
45.94579315185547	272.0
46.01057052612305	152.0
46.037574768066406	176.0
46.07539749145508	168.0
46.234954833984375	148.0
46.25796127319336	176.0
46.347347259521484	208.0
46.405120849609375	224.0
46.49829864501953	204.0
46.60992431640625	204.0
46.648643493652344	164.0
46.786041259765625	140.0
46.8268928527832	188.0
46.931217193603516	160.0
46.945457458496094	212.0
47.129737854003906	168.0
47.15922164916992	124.0
47.25963592529297	172.0
47.29111099243164	196.0
47.3027229309082	124.0
47.373268127441406	148.0
47.436302185058594	240.0
47.65494918823242	164.0
47.70948791503906	144.0
47.73579788208008	176.0
47.76449203491211	172.0
47.84430694580078	172.0
48.034481048583984	208.0
48.099334716796875	184.0
48.246337890625	164.0
48.58089828491211	200.0
48.61281204223633	188.0
48.74927520751953	192.0
48.7669677734375	176.0
48.86599349975586	208.0
49.448997497558594	160.0
49.492393493652344	240.0
49.5232048034668	144.0
50.00197219848633	152.0
50.12590026855469	192.0
50.17523193359375	172.0
50.20002365112305	128.0
50.420841217041016	164.0
50.590576171875	172.0
50.693973541259766	216.0
50.83010482788086	180.0
50.85423278808594	160.0
51.092960357666016	140.0
51.118568420410156	188.0
51.316402435302734	144.0
51.9070930480957	148.0
51.94365692138672	192.0
52.000343322753906	176.0
52.0836181640625	148.0
52.34537124633789	168.0
52.56159210205078	144.0
52.6509895324707	164.0
52.83321762084961	172.0
52.938880920410156	224.0
53.14215850830078	168.0
53.27102279663086	172.0
53.281192779541016	188.0
53.32818603515625	164.0
54.14618682861328	176.0
54.45271301269531	220.0
54.63792419433594	188.0
54.83671569824219	172.0
54.886470794677734	176.0
55.09198760986328	184.0
55.123016357421875	148.0
55.1673583984375	232.0
55.2338981628418	148.0
55.25461196899414	184.0
55.34933853149414	144.0
55.77363586425781	184.0
55.813777923583984	140.0
55.86731719970703	208.0
55.897274017333984	212.0
56.01320266723633	188.0
56.15182113647461	148.0
56.21000289916992	164.0
56.59564971923828	156.0
57.006656646728516	152.0
57.082237243652344	144.0
57.14348602294922	180.0
57.3302001953125	200.0
57.46440124511719	164.0
57.59937286376953	188.0
57.880062103271484	156.0
58.234928131103516	144.0
58.25713348388672	116.0
58.294586181640625	148.0
58.34129333496094	160.0
58.36410140991211	144.0
58.45199203491211	128.0
58.51625061035156	144.0
58.587345123291016	176.0
58.72502136230469	156.0
58.743324279785156	188.0
58.83477020263672	156.0
58.88125991821289	108.0
58.9647216796875	176.0
59.082462310791016	144.0
59.44099044799805	184.0
59.82215118408203	168.0
59.95769500732422	140.0
60.081050872802734	140.0
60.416290283203125	148.0
60.507598876953125	144.0
60.76952362060547	188.0
60.83315658569336	156.0
60.92011642456055	124.0
61.253013610839844	188.0
61.62586975097656	192.0
61.81976318359375	164.0
61.95911407470703	160.0
61.97578430175781	144.0
62.321189880371094	180.0
62.39069366455078	180.0
62.461456298828125	160.0
62.56846618652344	176.0
62.68975067138672	236.0
62.70503234863281	184.0
62.78749084472656	196.0
62.93266677856445	180.0
63.1887092590332	180.0
63.331180572509766	164.0
63.82950210571289	160.0
63.878807067871094	144.0
64.28030395507812	168.0
64.32658386230469	164.0
64.5982437133789	148.0
64.66864776611328	140.0
64.83521270751953	204.0
64.93621063232422	176.0
65.01963806152344	144.0
65.26380920410156	144.0
65.46495056152344	156.0
65.53260803222656	200.0
65.62931060791016	164.0
65.67446899414062	176.0
65.72014617919922	164.0
65.75190734863281	228.0
65.7632064819336	180.0
66.0605239868164	160.0
66.1511459350586	164.0
66.69617462158203	196.0
66.98907470703125	176.0
67.075439453125	232.0
67.26465606689453	192.0
67.37570190429688	176.0
67.60008239746094	172.0
67.62916564941406	144.0
67.85797119140625	148.0
67.91754150390625	168.0
68.09957885742188	128.0
68.41372680664062	188.0
68.44508361816406	156.0
68.7946548461914	136.0
68.95970153808594	148.0
69.04244995117188	196.0
69.10034942626953	148.0
69.23442077636719	148.0
69.39847564697266	164.0
69.68893432617188	184.0
69.86209869384766	176.0
69.8809585571289	184.0
69.91841125488281	172.0
70.09159851074219	196.0
70.22085571289062	112.0
70.26151275634766	136.0
70.37181091308594	156.0
70.44195556640625	204.0
70.50907897949219	160.0
70.76974487304688	204.0
70.81998443603516	196.0
70.85013580322266	140.0
70.94398498535156	172.0
71.04460144042969	208.0
71.08486938476562	156.0
71.41751098632812	204.0
71.44442749023438	220.0
71.62823486328125	148.0
71.76104736328125	140.0
71.81838989257812	164.0
72.03106689453125	160.0
72.12487030029297	172.0
72.18321228027344	168.0
72.75415802001953	184.0
72.82038116455078	172.0
72.86115264892578	172.0
72.9410171508789	184.0
73.04134368896484	168.0
73.24560546875	212.0
73.44332885742188	140.0
73.46209716796875	160.0
73.56277465820312	168.0
73.59862518310547	156.0
73.65156555175781	172.0
73.70623779296875	140.0
73.75921630859375	224.0
74.08263397216797	208.0
74.12889862060547	192.0
74.3398208618164	164.0
74.50247192382812	152.0
74.7126693725586	180.0
75.10197448730469	156.0
75.21412658691406	140.0
75.22621154785156	140.0
75.44007873535156	184.0
75.5632095336914	148.0
75.67578125	180.0
75.718994140625	164.0
75.97900390625	180.0
76.0258560180664	144.0
76.2481460571289	140.0
76.99554443359375	152.0
77.06257629394531	180.0
77.62430572509766	136.0
77.86947631835938	148.0
78.36554718017578	208.0
78.74834442138672	188.0
78.82254028320312	184.0
79.08251190185547	160.0
79.42979431152344	160.0
79.58952331542969	196.0
79.802734375	156.0
79.84185791015625	160.0
79.93614196777344	152.0
80.33523559570312	152.0
80.48149871826172	160.0
80.65309143066406	188.0
80.70135498046875	168.0
80.9178466796875	164.0
81.04322052001953	160.0
81.0557632446289	156.0
81.09877014160156	156.0
81.2049560546875	180.0
81.27631378173828	148.0
81.42351531982422	196.0
81.63018035888672	156.0
81.67874145507812	244.0
82.08756256103516	172.0
82.25896453857422	172.0
82.46307373046875	160.0
82.51730346679688	232.0
82.5552749633789	304.0
82.71630096435547	140.0
83.15130615234375	184.0
83.17671203613281	148.0
83.20850372314453	164.0
83.318359375	212.0
83.48558044433594	172.0
83.54196166992188	184.0
83.98460388183594	164.0
84.06488037109375	152.0
84.14519500732422	148.0
84.9810791015625	124.0
85.03482818603516	192.0
85.08989715576172	144.0
85.1156005859375	160.0
85.21111297607422	152.0
85.23500061035156	152.0
85.3342514038086	148.0
85.5568618774414	208.0
85.7115707397461	152.0
85.8701171875	208.0
85.92447662353516	204.0
85.94205474853516	168.0
85.95681762695312	180.0
86.1008071899414	172.0
86.16545867919922	216.0
86.41505432128906	152.0
86.44190216064453	172.0
86.55201721191406	176.0
86.66130065917969	168.0
86.75025939941406	168.0
87.57341766357422	160.0
87.74858093261719	232.0
87.89966583251953	192.0
88.12372589111328	176.0
88.44538116455078	204.0
88.7544937133789	188.0
88.82201385498047	164.0
89.08293151855469	196.0
89.24456024169922	216.0
89.29533386230469	152.0
89.44209289550781	236.0
89.61105346679688	216.0
89.73031616210938	228.0
89.80197143554688	152.0
90.13423156738281	140.0
90.21983337402344	164.0
90.32518005371094	176.0
90.38004302978516	188.0
90.69251251220703	156.0
90.73611450195312	168.0
90.97451782226562	96.0
91.00552368164062	144.0
91.12518310546875	184.0
91.20309448242188	216.0
91.3780517578125	156.0
91.48271942138672	180.0
91.53793334960938	144.0
91.55697631835938	416.0
91.59965515136719	304.0
91.8009033203125	148.0
92.02224731445312	140.0
92.04354858398438	212.0
92.56230163574219	152.0
92.71473693847656	164.0
92.79772186279297	152.0
92.85464477539062	144.0
93.10413360595703	216.0
93.37511444091797	140.0
93.50786590576172	204.0
93.58871459960938	156.0
93.69850158691406	164.0
93.89511108398438	172.0
94.1798324584961	152.0
94.81148529052734	228.0
94.89096069335938	140.0
95.05776977539062	188.0
95.21268463134766	220.0
95.43460083007812	184.0
95.47295379638672	248.0
95.50460815429688	200.0
95.62134552001953	168.0
95.80520629882812	236.0
96.0890121459961	140.0
96.10462188720703	156.0
96.33889770507812	176.0
96.43659973144531	144.0
96.589111328125	148.0
96.62432861328125	176.0
96.78482055664062	176.0
97.09639739990234	152.0
97.25727844238281	172.0
97.32206726074219	176.0
97.37508392333984	264.0
97.39276123046875	160.0
97.42615509033203	144.0
97.51457977294922	148.0
97.7426986694336	156.0
98.09430694580078	144.0
98.46247100830078	176.0
98.61634063720703	152.0
98.65191650390625	192.0
98.8160629272461	168.0
98.93084716796875	144.0
98.95856475830078	156.0
99.0159912109375	256.0
99.07144927978516	164.0
99.2518081665039	248.0
99.35542297363281	232.0
99.47400665283203	164.0
99.50682067871094	204.0
99.60108947753906	148.0
99.99278259277344	140.0
100.42113494873047	148.0
100.68058776855469	168.0
100.87639617919922	184.0
100.92935943603516	116.0
101.01437377929688	168.0
101.11841583251953	156.0
101.92056274414062	156.0
101.95069885253906	172.0
102.0136947631836	188.0
102.04517364501953	184.0
102.41545104980469	140.0
102.47386932373047	332.0
102.64519500732422	184.0
102.85299682617188	172.0
103.46455383300781	152.0
103.64981842041016	176.0
103.84037780761719	144.0
103.99051666259766	180.0
104.02298736572266	152.0
104.21795654296875	156.0
104.2829818725586	208.0
104.48429870605469	176.0
104.91400146484375	200.0
105.46310424804688	208.0
105.56736755371094	152.0
105.58373260498047	164.0
105.62660217285156	200.0
105.7085189819336	184.0
105.77400970458984	156.0
106.06399536132812	204.0
106.0976791381836	196.0
106.18174743652344	200.0
106.37613677978516	184.0
106.41773223876953	184.0
106.46468353271484	148.0
106.78350830078125	216.0
107.00780487060547	164.0
107.07159423828125	280.0
107.3995132446289	240.0
107.71308898925781	220.0
108.13903045654297	160.0
108.38753509521484	144.0
108.5660629272461	172.0
109.0997314453125	108.0
109.40026092529297	196.0
109.5176773071289	172.0
109.67811584472656	160.0
109.92630004882812	168.0
109.99700927734375	168.0
110.06824493408203	160.0
110.13716125488281	172.0
110.54199981689453	156.0
110.57623291015625	176.0
110.86943054199219	140.0
111.07490539550781	176.0
111.38766479492188	152.0
111.88184356689453	148.0
111.94080352783203	160.0
111.99345397949219	152.0
112.1030044555664	176.0
112.41931915283203	164.0
112.66001892089844	168.0
112.94327545166016	160.0
112.99827575683594	148.0
113.05541229248047	144.0
113.10932159423828	268.0
113.55326843261719	148.0
113.59568786621094	144.0
113.88861846923828	160.0
114.0247802734375	860.0
114.44365692138672	160.0
114.62471008300781	168.0
114.96163177490234	148.0
115.02566528320312	144.0
115.05768585205078	172.0
115.2856216430664	140.0
115.9761962890625	224.0
116.0203857421875	324.0
116.05683898925781	208.0
116.21126556396484	184.0
116.5397720336914	140.0
116.55696105957031	168.0
117.0021743774414	192.0
117.06461334228516	140.0
117.0796890258789	196.0
117.4547119140625	140.0
117.54963684082031	232.0
118.05296325683594	164.0
118.07524871826172	144.0
118.23468017578125	160.0
118.28229522705078	164.0
118.33104705810547	164.0
118.43820190429688	176.0
118.55085754394531	236.0
118.63972473144531	164.0
118.82189178466797	156.0
118.9496841430664	140.0
119.07620239257812	156.0
119.13668823242188	152.0
119.3413314819336	228.0
119.4820785522461	160.0
119.68693542480469	168.0
119.72613525390625	224.0
119.76969146728516	188.0
119.82850646972656	172.0
120.08354949951172	200.0
120.19767761230469	204.0
120.52452087402344	144.0
120.76937103271484	188.0
120.964111328125	216.0
120.9869155883789	184.0
121.0954818725586	176.0
121.15243530273438	152.0
121.30583190917969	188.0
121.70951080322266	196.0
121.95775604248047	340.0
122.78118133544922	212.0
122.84540557861328	172.0
122.89368438720703	188.0
123.2049789428711	208.0
123.30220031738281	180.0
123.43484497070312	160.0
123.50476837158203	208.0
124.07250213623047	168.0
124.09854888916016	208.0
124.1833724975586	152.0
124.30982971191406	160.0
124.36531066894531	176.0
124.7451400756836	156.0
124.80072021484375	200.0
124.9786605834961	196.0
125.04764556884766	144.0
125.26585388183594	216.0
125.57568359375	144.0
125.63367462158203	140.0
125.66937255859375	180.0
125.93948364257812	152.0
126.2210693359375	256.0
126.50968933105469	180.0
126.77916717529297	192.0
126.81880950927734	144.0
126.8838119506836	172.0
127.0811767578125	176.0
127.11932373046875	140.0
127.15747833251953	188.0
127.24015808105469	120.0
127.49210357666016	200.0
127.5820083618164	184.0
127.73968505859375	172.0
127.94420623779297	152.0
128.05453491210938	192.0
128.10552978515625	176.0
128.18971252441406	200.0
128.28211975097656	168.0
128.36553955078125	148.0
128.42642211914062	148.0
128.46026611328125	200.0
128.63853454589844	196.0
128.95355224609375	176.0
129.10848999023438	268.0
129.20018005371094	120.0
129.32505798339844	172.0
129.5478057861328	224.0
130.06443786621094	540.0
130.1486053466797	144.0
130.35757446289062	148.0
130.4030303955078	176.0
130.4355926513672	196.0
130.45730590820312	128.0
130.49964904785156	128.0
130.5410614013672	168.0
130.5621795654297	172.0
130.87164306640625	220.0
131.0379180908203	176.0
131.06411743164062	268.0
131.39129638671875	144.0
131.43008422851562	156.0
131.96754455566406	168.0
132.00341796875	188.0
132.08087158203125	760.0
132.1658172607422	140.0
132.36038208007812	196.0
132.42909240722656	152.0
132.62913513183594	116.0
132.76828002929688	148.0
132.947021484375	140.0
133.08367919921875	392.0
133.12857055664062	172.0
133.3675079345703	176.0
133.96253967285156	224.0
134.05615234375	216.0
134.09671020507812	6424.0
134.2815704345703	164.0
134.62774658203125	156.0
135.09994506835938	936.0
135.1756134033203	164.0
135.20750427246094	164.0
135.47659301757812	168.0
135.84054565429688	152.0
136.1016387939453	136.0
136.1562042236328	152.0
136.7528839111328	124.0
136.83518981933594	176.0
137.016845703125	144.0
137.7423553466797	176.0
137.89889526367188	252.0
137.96258544921875	128.0
138.0017547607422	160.0
138.45571899414062	148.0
138.4908447265625	152.0
139.0226593017578	176.0
139.2155303955078	208.0
139.45281982421875	140.0
139.67800903320312	160.0
140.22007751464844	172.0
140.5997772216797	196.0
140.61866760253906	148.0
140.75558471679688	148.0
141.01544189453125	148.0
141.46249389648438	208.0
141.61402893066406	216.0
141.8983917236328	152.0
142.29934692382812	152.0
142.31834411621094	244.0
142.6022186279297	168.0
143.07415771484375	124.0
143.13629150390625	320.0
143.78709411621094	180.0
143.89451599121094	140.0
143.9422607421875	208.0
144.082763671875	736.0
144.54942321777344	260.0
144.85348510742188	172.0
144.8920135498047	216.0
145.0756378173828	744.0
145.1818389892578	172.0
145.30177307128906	172.0
145.9093780517578	280.0
145.98391723632812	164.0
146.0432586669922	172.0
146.0834503173828	772.0
146.40745544433594	172.0
146.51585388183594	152.0
146.72793579101562	160.0
146.75204467773438	220.0
146.95947265625	152.0
147.03909301757812	176.0
147.09085083007812	1880.0
147.2781219482422	160.0
147.73741149902344	156.0
148.05206298828125	148.0
148.0995635986328	2120.0
148.30630493164062	212.0
148.4640350341797	164.0
148.50997924804688	136.0
148.70664978027344	152.0
148.78570556640625	176.0
148.9148712158203	196.0
148.97616577148438	200.0
149.05975341796875	140.0
149.10313415527344	264.0
149.41761779785156	240.0
149.607666015625	188.0
149.720458984375	164.0
149.77891540527344	160.0
149.9600372314453	164.0
150.0591583251953	140.0
150.3079376220703	164.0
150.59112548828125	156.0
150.6131134033203	176.0
150.98460388183594	228.0
151.0868682861328	152.0
151.27333068847656	164.0
151.92691040039062	136.0
152.5292510986328	140.0
152.73826599121094	156.0
152.81944274902344	168.0
152.8588104248047	160.0
152.88096618652344	164.0
153.0409698486328	176.0
153.17149353027344	144.0
153.30206298828125	196.0
153.36614990234375	172.0
153.39425659179688	208.0
153.97061157226562	140.0
154.06201171875	196.0
154.08917236328125	140.0
154.15342712402344	200.0
154.54409790039062	192.0
155.02943420410156	140.0
155.0641326904297	192.0
155.27487182617188	140.0
156.04751586914062	2416.0
156.0792694091797	188.0
156.2087860107422	144.0
156.74156188964844	288.0
156.80885314941406	176.0
157.00331115722656	164.0
157.04556274414062	196.0
157.06150817871094	276.0
157.08416748046875	188.0
157.17044067382812	156.0
157.4974822998047	220.0
157.79736328125	144.0
157.82485961914062	144.0
157.91262817382812	128.0
158.0436248779297	296.0
158.0889129638672	296.0
158.35287475585938	176.0
158.46810913085938	160.0
158.58087158203125	144.0
158.73631286621094	144.0
158.7939910888672	140.0
158.87303161621094	172.0
158.94200134277344	152.0
159.01226806640625	168.0
159.06747436523438	196.0
159.091552734375	1424.0
159.2080841064453	148.0
159.68055725097656	180.0
160.05661010742188	188.0
160.09556579589844	608.0
160.274658203125	220.0
160.52671813964844	172.0
160.6049041748047	152.0
160.71617126464844	152.0
160.80422973632812	140.0
160.84271240234375	160.0
160.874267578125	164.0
160.90773010253906	144.0
161.02993774414062	164.0
161.07850646972656	212.0
161.1080780029297	68952.0
161.18739318847656	176.0
161.22560119628906	208.0
161.37222290039062	108.0
161.6067352294922	160.0
161.66302490234375	112.0
161.7039794921875	144.0
162.06829833984375	152.0
162.11154174804688	5184.0
162.1710662841797	152.0
162.26402282714844	224.0
162.58021545410156	192.0
162.6171875	164.0
162.86416625976562	220.0
162.9095458984375	264.0
163.1134796142578	324.0
163.13710021972656	376.0
163.21263122558594	116.0
163.25401306152344	192.0
163.28883361816406	140.0
163.86636352539062	144.0
163.96356201171875	120.0
164.12747192382812	164.0
164.2626495361328	148.0
164.3055419921875	152.0
164.34173583984375	164.0
164.78854370117188	168.0
164.86900329589844	132.0
165.2999267578125	140.0
165.38949584960938	228.0
165.50726318359375	152.0
165.6020050048828	160.0
165.8659210205078	260.0
165.8941192626953	172.0
166.0787353515625	148.0
166.1454315185547	176.0
166.19931030273438	180.0
166.9493865966797	200.0
167.42547607421875	152.0
167.49244689941406	204.0
167.60836791992188	148.0
167.69342041015625	188.0
167.97445678710938	344.0
167.99252319335938	164.0
168.1370086669922	188.0
168.47784423828125	196.0
169.01043701171875	176.0
169.07351684570312	212.0
169.09841918945312	204.0
169.3107147216797	144.0
169.41432189941406	196.0
169.47909545898438	144.0
169.60867309570312	156.0
169.80307006835938	168.0
169.87576293945312	172.0
170.05738830566406	148.0
170.08486938476562	436.0
170.18458557128906	160.0
170.46771240234375	152.0
170.51449584960938	164.0
170.57948303222656	148.0
170.7354736328125	160.0
171.09255981445312	256.0
171.22213745117188	144.0
171.24557495117188	228.0
171.33154296875	148.0
171.64540100097656	180.0
172.01998901367188	176.0
172.1016082763672	816.0
172.1453094482422	192.0
172.27330017089844	160.0
172.30203247070312	176.0
172.3804168701172	168.0
172.5117950439453	196.0
172.53201293945312	212.0
172.62149047851562	160.0
172.64967346191406	248.0
172.7124481201172	180.0
172.9714813232422	160.0
173.1082000732422	3256.0
173.36790466308594	124.0
173.51637268066406	188.0
174.114501953125	716.0
174.51669311523438	172.0
174.74813842773438	152.0
174.9113006591797	172.0
175.11456298828125	144.0
175.64910888671875	256.0
175.72561645507812	192.0
176.04763793945312	140.0
176.12686157226562	148.0
176.14535522460938	156.0
176.26022338867188	168.0
176.2801055908203	160.0
176.94134521484375	156.0
177.57200622558594	268.0
177.69137573242188	176.0
177.95147705078125	188.0
178.09092712402344	320.0
178.5926055908203	496.0
178.6238250732422	184.0
178.7376708984375	116.0
179.0900421142578	184.0
179.22470092773438	176.0
179.5240478515625	176.0
179.60671997070312	192.0
179.87088012695312	140.0
180.01760864257812	180.0
180.28753662109375	144.0
180.324951171875	164.0
180.36236572265625	204.0
180.53347778320312	160.0
180.78494262695312	204.0
180.9268035888672	156.0
180.96160888671875	200.0
181.00177001953125	192.0
181.33126831054688	160.0
181.79127502441406	136.0
181.83547973632812	180.0
181.98043823242188	148.0
182.0636749267578	164.0
182.39683532714844	204.0
182.44790649414062	388.0
182.692626953125	164.0
182.8971405029297	160.0
182.93408203125	212.0
183.24183654785156	244.0
183.3927459716797	152.0
183.5841522216797	148.0
184.0806884765625	240.0
184.10499572753906	148.0
184.38865661621094	244.0
184.7272186279297	204.0
185.1071319580078	816.0
185.66107177734375	148.0
185.81838989257812	208.0
185.85218811035156	104.0
185.90792846679688	180.0
185.95091247558594	196.0
186.0327911376953	156.0
186.1153106689453	264.0
186.36683654785156	168.0
186.5353240966797	176.0
186.66854858398438	180.0
186.70933532714844	152.0
186.73109436035156	160.0
186.96978759765625	120.0
187.06578063964844	180.0
187.1230926513672	13000.0
187.2427520751953	208.0
187.4661407470703	160.0
187.82330322265625	148.0
187.94102478027344	132.0
188.0166473388672	236.0
188.05953979492188	144.0
188.1282958984375	2204.0
188.172607421875	208.0
188.23941040039062	172.0
188.29684448242188	136.0
188.3294677734375	180.0
188.39434814453125	124.0
188.43753051757812	172.0
188.47677612304688	196.0
188.52462768554688	168.0
188.55650329589844	132.0
188.5957489013672	192.0
188.61537170410156	284.0
188.64218139648438	352.0
188.67703247070312	260.0
188.72975158691406	152.0
188.756591796875	144.0
188.7774200439453	236.0
188.80780029296875	524.0
188.8284149169922	348.0
188.8596954345703	148.0
188.88255310058594	344.0
188.90672302246094	188.0
188.9368438720703	300.0
188.95999145507812	344.0
189.01071166992188	384.0
189.05508422851562	524.0
189.10781860351562	596.0
189.1405487060547	383716.0
189.21749877929688	112.0
189.23976135253906	336.0
189.28521728515625	280.0
189.31935119628906	232.0
189.342529296875	232.0
189.4066925048828	552.0
189.4413604736328	296.0
189.4756622314453	256.0
189.56053161621094	544.0
189.58973693847656	11900.0
189.6246795654297	440.0
189.69659423828125	120.0
189.7681884765625	164.0
189.84820556640625	292.0
189.89793395996094	256.0
189.92291259765625	148.0
189.95391845703125	292.0
189.97962951660156	248.0
190.0093536376953	264.0
190.07559204101562	180.0
190.1425323486328	75900.0
190.2652130126953	252.0
190.310302734375	216.0
190.36753845214844	192.0
190.40118408203125	124.0
190.4496307373047	264.0
190.5133819580078	164.0
190.6006622314453	132.0
190.70343017578125	96.0
190.73321533203125	116.0
190.78396606445312	160.0
190.817626953125	96.0
190.9379425048828	112.0
190.989501953125	124.0
191.01605224609375	104.0
191.03463745117188	252.0
191.0599365234375	168.0
191.14474487304688	5028.0
191.1889190673828	312.0
191.277099609375	148.0
191.31748962402344	236.0
191.3511962890625	168.0
191.3848876953125	240.0
191.44827270507812	160.0
191.5082244873047	228.0
191.5463409423828	256.0
191.58082580566406	312.0
191.67437744140625	264.0
191.709716796875	180.0
191.76148986816406	144.0
191.80760192871094	180.0
191.924072265625	112.0
191.9979705810547	96.0
192.1868896484375	112.0
192.3227996826172	120.0
192.47047424316406	116.0
192.54840087890625	180.0
192.56640625	124.0
192.63479614257812	148.0
192.6795196533203	144.0
192.78045654296875	104.0
194.9022979736328	156.0
196.08265686035156	208.0
197.71546936035156	104.0
197.93162536621094	108.0
198.0512237548828	148.0
198.9990692138672	144.0
199.05897521972656	96.0
201.96435546875	100.0
202.82835388183594	136.0
214.0325469970703	336.0
215.03515625	292.0
216.01890563964844	184.0
219.2350311279297	148.0
223.1002197265625	148.0
228.04872131347656	172.0
235.98422241210938	164.0
241.07139587402344	180.0
277.1691589355469	148.0
286.23834228515625	152.0
318.77130126953125	96.0
341.5530090332031	144.0
415.4978942871094	140.0
503.6933288574219	144.0
799.46142578125	144.0
812.627197265625	140.0
1043.4058837890625	180.0
1076.542724609375	248.0
1137.6944580078125	144.0
1165.3917236328125	176.0
1174.0706787109375	200.0
1249.4971923828125	156.0
1276.0330810546875	156.0
1278.387451171875	176.0
1278.9140625	208.0
1347.6959228515625	192.0
1374.806640625	204.0
1383.8319091796875	160.0
1389.0120849609375	196.0
1391.3348388671875	140.0
1394.826171875	140.0
1402.381103515625	156.0
1402.463134765625	220.0
1404.2451171875	168.0
1419.9586181640625	188.0
1429.7628173828125	228.0
1449.04052734375	196.0
1456.8089599609375	196.0
1472.85888671875	168.0
1480.2620849609375	184.0
1487.2001953125	172.0
1510.887939453125	144.0
1511.6075439453125	212.0
1544.955078125	144.0
1545.158447265625	160.0
1555.9737548828125	152.0
1558.8720703125	172.0
1579.2041015625	156.0
1580.539794921875	120.0
1590.8759765625	176.0
1592.7579345703125	236.0
1595.95263671875	208.0
1596.938720703125	240.0
1609.801513671875	164.0
1615.3162841796875	172.0
1617.8770751953125	160.0
1619.6707763671875	156.0
1633.8231201171875	172.0
1648.004638671875	148.0
1648.2066650390625	188.0
1649.734130859375	248.0
1661.5902099609375	244.0
1661.8336181640625	148.0
1668.217041015625	152.0
1690.4342041015625	200.0
1701.8934326171875	208.0
1713.3831787109375	172.0
1717.232666015625	188.0
1721.64794921875	232.0
1725.787841796875	160.0
1726.3831787109375	204.0
1726.962158203125	148.0
1736.2049560546875	168.0
1736.6693115234375	172.0
1739.490478515625	180.0
1742.3804931640625	176.0
1748.525390625	224.0
1753.847412109375	208.0
1756.2154541015625	176.0
1761.56591796875	140.0
1763.1534423828125	160.0
1765.7869873046875	192.0
1768.58984375	176.0
1770.5489501953125	208.0
1777.78369140625	156.0
1778.345947265625	176.0
1780.7220458984375	192.0
1783.7720947265625	180.0
1787.4979248046875	172.0
1793.216064453125	148.0
1797.0528564453125	164.0
1797.896728515625	152.0
1800.032470703125	188.0
1804.9757080078125	232.0
1807.2763671875	168.0
1811.272216796875	188.0
1812.7379150390625	144.0
1815.7049560546875	180.0
1816.4005126953125	144.0
1817.562744140625	224.0
1822.9803466796875	188.0
1823.4222412109375	208.0
1834.785888671875	164.0
1840.99755859375	160.0
1843.047607421875	148.0
1849.7783203125	200.0
1852.3128662109375	156.0
1852.715576171875	140.0
1855.972412109375	144.0
1857.962158203125	220.0
1862.211181640625	152.0
1869.8114013671875	160.0
1874.8924560546875	252.0
1880.6278076171875	184.0
1881.793212890625	152.0
1889.56298828125	164.0
1890.0474853515625	156.0
1892.7655029296875	156.0
1897.18408203125	236.0
1900.2454833984375	164.0
1901.1739501953125	188.0
1902.6929931640625	140.0
1905.13330078125	156.0
1909.2010498046875	160.0
1910.1925048828125	160.0
1910.3143310546875	172.0
1912.0545654296875	184.0
1916.2254638671875	148.0
1918.3258056640625	164.0
1918.613525390625	140.0
1920.523193359375	192.0
1922.7130126953125	176.0
1923.0709228515625	208.0
1925.5067138671875	140.0
1926.1793212890625	152.0
1927.612060546875	216.0
1928.2762451171875	252.0
1928.5909423828125	160.0
1932.4036865234375	152.0
1932.5086669921875	148.0
1934.63671875	212.0
1937.7794189453125	156.0
1940.8382568359375	164.0
1941.85546875	180.0
1941.9344482421875	188.0
1946.322265625	176.0
1947.0423583984375	168.0
1948.7552490234375	144.0
1949.9239501953125	196.0
1950.627197265625	180.0
1953.1507568359375	168.0
1954.7255859375	192.0
1963.2352294921875	188.0
1965.4139404296875	232.0
1969.0950927734375	152.0
1970.6939697265625	140.0
1972.1610107421875	176.0
1973.584228515625	160.0
1973.743408203125	144.0
1974.061767578125	156.0
1977.016357421875	180.0
1977.53857421875	144.0
1982.710693359375	188.0
1984.1644287109375	180.0
1984.2796630859375	144.0
1985.0599365234375	152.0
1989.904541015625	192.0
1994.5684814453125	160.0
1996.9691162109375	140.0
1999.1932373046875	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079209
PEPMASS=286.054688
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_G2_H11_BE3_01_15737.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=CGS 15943 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Nc1nc2ccc(Cl)cc2c3nc(nn13)c4ccco4
INCHI=InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
INCHIAUX=MSJODEOZODDVGW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079209
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079209
SCANS=1452
45.130577087402344	224.0
45.44399642944336	148.0
45.543338775634766	140.0
45.57692337036133	196.0
45.73561477661133	152.0
45.83258056640625	176.0
46.22687530517578	168.0
46.43033981323242	148.0
46.56308364868164	164.0
46.697330474853516	124.0
47.36783218383789	168.0
47.38290023803711	192.0
47.55568313598633	196.0
47.893924713134766	152.0
48.30942153930664	172.0
48.32740783691406	208.0
48.605918884277344	184.0
48.63644790649414	140.0
48.844879150390625	148.0
49.10116195678711	148.0
49.143009185791016	152.0
49.159420013427734	140.0
49.52885437011719	164.0
49.69708251953125	188.0
49.93516540527344	224.0
50.26460647583008	204.0
50.52976989746094	164.0
50.592041015625	172.0
50.644432067871094	180.0
51.0318489074707	220.0
51.62408447265625	156.0
51.739505767822266	176.0
51.90422821044922	124.0
51.99321365356445	204.0
52.307987213134766	204.0
52.323822021484375	172.0
52.555870056152344	144.0
52.606380462646484	148.0
53.28414535522461	172.0
53.59550857543945	148.0
53.62465286254883	152.0
53.86979293823242	152.0
53.937156677246094	120.0
54.2148323059082	112.0
54.28546142578125	152.0
54.83676528930664	200.0
55.044776916503906	168.0
55.36068344116211	236.0
55.90793228149414	200.0
56.09372329711914	172.0
56.54330825805664	152.0
56.66010284423828	180.0
56.67958068847656	208.0
56.89556121826172	196.0
57.19887161254883	156.0
57.36039733886719	200.0
57.392765045166016	264.0
58.00968933105469	128.0
58.25284194946289	116.0
58.30030822753906	148.0
58.48585891723633	140.0
58.5498046875	188.0
58.73283767700195	176.0
59.12076950073242	144.0
59.608421325683594	172.0
59.65145492553711	212.0
59.896121978759766	176.0
60.3405647277832	172.0
60.657920837402344	172.0
60.66877365112305	140.0
61.131629943847656	156.0
61.164310455322266	192.0
61.630611419677734	148.0
61.71345138549805	148.0
62.14888381958008	188.0
62.40804672241211	180.0
62.570098876953125	152.0
62.92167282104492	196.0
63.048038482666016	148.0
63.08795928955078	172.0
63.37876510620117	140.0
63.57381057739258	172.0
63.69288635253906	148.0
64.03251647949219	160.0
64.06404113769531	148.0
64.62870025634766	196.0
64.64950561523438	176.0
64.78350067138672	168.0
64.92184448242188	212.0
65.00029754638672	176.0
65.29120635986328	212.0
65.49239349365234	152.0
65.5262222290039	152.0
65.70584869384766	184.0
66.39993286132812	128.0
66.44939422607422	152.0
66.49158477783203	164.0
66.59549713134766	220.0
66.7889175415039	200.0
67.32839965820312	156.0
67.35126495361328	152.0
67.75367736816406	160.0
67.87004852294922	168.0
67.9668197631836	180.0
68.1802978515625	152.0
68.49620056152344	140.0
68.66267395019531	156.0
68.78641510009766	156.0
68.9201889038086	152.0
68.97637939453125	164.0
69.22952270507812	152.0
69.3338851928711	168.0
69.45326232910156	176.0
69.73091125488281	144.0
69.91348266601562	168.0
69.92513275146484	164.0
70.00836944580078	152.0
70.04474639892578	124.0
70.06500244140625	192.0
70.09397888183594	212.0
70.12499237060547	184.0
70.15332794189453	212.0
70.33348083496094	208.0
70.45037078857422	148.0
70.56903076171875	140.0
70.7120590209961	136.0
70.73464965820312	196.0
70.95913696289062	160.0
71.06983184814453	216.0
71.46636199951172	232.0
71.51296997070312	184.0
71.65156555175781	152.0
71.75184631347656	120.0
72.17140197753906	144.0
72.19132232666016	164.0
72.39815521240234	176.0
72.47438049316406	192.0
72.52861022949219	152.0
72.58940124511719	192.0
72.75592041015625	224.0
73.02100372314453	140.0
73.5662612915039	204.0
73.68238830566406	160.0
73.70288848876953	176.0
73.86016845703125	160.0
74.14096069335938	196.0
74.22496032714844	212.0
74.69037628173828	256.0
74.771240234375	200.0
74.88133239746094	144.0
75.23836517333984	192.0
75.38517761230469	228.0
75.41110229492188	164.0
75.42839050292969	164.0
75.5511703491211	160.0
75.64205169677734	160.0
76.1109848022461	164.0
76.449951171875	212.0
77.15229034423828	156.0
77.34354400634766	148.0
77.5650863647461	176.0
77.67472076416016	180.0
78.02635192871094	220.0
78.1402587890625	204.0
78.28106689453125	152.0
78.3568115234375	200.0
78.9481201171875	144.0
79.58959197998047	140.0
79.63932037353516	328.0
80.08219909667969	156.0
80.1285171508789	196.0
80.36742401123047	176.0
81.43616485595703	172.0
81.70220184326172	160.0
82.06420135498047	156.0
82.38324737548828	240.0
82.45591735839844	164.0
82.56267547607422	232.0
82.60237121582031	200.0
82.87030792236328	160.0
83.34931945800781	144.0
84.52178955078125	144.0
84.5986557006836	292.0
84.76165771484375	176.0
85.00737762451172	152.0
85.04225158691406	144.0
85.16709899902344	144.0
85.19496154785156	120.0
85.40219116210938	164.0
85.51644897460938	152.0
85.5896987915039	116.0
85.74298095703125	224.0
85.96058654785156	204.0
87.06204986572266	212.0
87.16050720214844	212.0
87.70206451416016	156.0
87.80833435058594	164.0
87.87548828125	168.0
88.06403350830078	148.0
88.18270874023438	300.0
88.52783966064453	176.0
88.55406188964844	216.0
88.96095275878906	144.0
88.9759750366211	152.0
89.00225830078125	172.0
89.36689758300781	192.0
89.71237182617188	100.0
90.08518981933594	180.0
90.15699005126953	248.0
90.94486236572266	156.0
91.06018829345703	184.0
91.44283294677734	172.0
91.52849578857422	140.0
91.66374206542969	168.0
91.83442687988281	180.0
92.2515869140625	188.0
92.83171844482422	160.0
92.94375610351562	196.0
93.30597686767578	192.0
93.34828186035156	180.0
93.45792388916016	200.0
93.76988220214844	172.0
93.97428894042969	148.0
94.06885528564453	164.0
94.08429718017578	148.0
94.52690887451172	172.0
94.5711441040039	168.0
94.85359954833984	164.0
94.99577331542969	144.0
95.02681732177734	168.0
95.10637664794922	168.0
95.34526824951172	164.0
95.73629760742188	140.0
95.94478607177734	180.0
96.0617904663086	152.0
96.15345001220703	168.0
96.43473815917969	152.0
96.67920684814453	144.0
96.87107849121094	144.0
97.32804870605469	204.0
97.72705078125	180.0
98.03028869628906	212.0
98.14461517333984	204.0
98.36754608154297	172.0
98.66189575195312	192.0
98.71421813964844	112.0
98.77839660644531	140.0
98.86363983154297	208.0
99.2872085571289	248.0
99.5217514038086	160.0
100.0169677734375	180.0
100.05108642578125	196.0
100.08644104003906	140.0
100.2759780883789	136.0
100.64440155029297	144.0
100.91647338867188	172.0
101.00572204589844	128.0
101.11851501464844	156.0
101.33077239990234	156.0
101.89453887939453	156.0
102.64932250976562	196.0
102.94916534423828	108.0
103.0754165649414	144.0
103.18034362792969	244.0
103.22887420654297	192.0
103.7269287109375	144.0
103.80819702148438	144.0
104.15913391113281	172.0
104.71644592285156	216.0
105.19969940185547	140.0
105.2201156616211	204.0
105.73726654052734	168.0
105.82119750976562	232.0
105.98505401611328	152.0
106.46916198730469	156.0
106.7167739868164	96.0
106.76715087890625	180.0
106.78154754638672	160.0
106.83296966552734	216.0
107.02427673339844	728.0
107.49227905273438	144.0
107.83096313476562	184.0
108.04104614257812	160.0
108.205810546875	112.0
108.42033386230469	108.0
108.76188659667969	96.0
109.04041290283203	5436.0
109.1177749633789	144.0
109.1327896118164	156.0
109.21119689941406	148.0
109.42122650146484	208.0
109.60111236572266	188.0
109.71782684326172	140.0
109.9723129272461	160.0
110.04195404052734	308.0
110.23963165283203	204.0
110.94886779785156	160.0
111.05252075195312	400.0
111.31426239013672	144.0
111.33736419677734	244.0
111.60002899169922	216.0
111.9935531616211	200.0
112.09678649902344	160.0
112.33502960205078	164.0
112.99838256835938	176.0
113.09783935546875	156.0
113.58425903320312	164.0
113.79953002929688	156.0
114.04808044433594	140.0
114.15225219726562	220.0
114.41939544677734	144.0
114.62383270263672	164.0
114.70682525634766	140.0
114.95873260498047	176.0
115.02900695800781	128.0
115.5044174194336	144.0
115.84048461914062	180.0
115.92618560791016	156.0
116.09125518798828	168.0
116.8010025024414	172.0
116.91188049316406	140.0
117.3620834350586	188.0
117.53248596191406	164.0
117.64471435546875	180.0
117.72652435302734	148.0
118.07685852050781	160.0
118.30622100830078	140.0
118.48573303222656	148.0
119.11072540283203	156.0
119.20197296142578	140.0
119.28890991210938	160.0
119.58037567138672	144.0
119.65438842773438	196.0
119.69022369384766	188.0
119.98914337158203	184.0
120.59019470214844	140.0
120.63609313964844	140.0
120.8351058959961	200.0
120.97735595703125	168.0
121.20294189453125	144.0
121.48137664794922	200.0
121.60515594482422	156.0
121.64815521240234	168.0
121.67230224609375	144.0
121.8370132446289	152.0
121.9117202758789	152.0
122.19096374511719	156.0
122.21076965332031	208.0
122.5396957397461	192.0
122.67766571044922	256.0
122.76039123535156	192.0
122.82099914550781	192.0
122.92027282714844	200.0
123.12557983398438	188.0
123.29126739501953	144.0
123.56324005126953	180.0
123.60306549072266	168.0
123.90196990966797	144.0
123.99579620361328	644.0
124.24553680419922	152.0
124.27665710449219	196.0
124.3365707397461	184.0
124.37652587890625	160.0
124.42314147949219	172.0
124.99713134765625	176.0
125.23448944091797	128.0
125.42863464355469	144.0
125.5601806640625	184.0
125.87483978271484	148.0
125.98944091796875	476.0
126.45608520507812	144.0
126.61618041992188	244.0
126.66207885742188	156.0
126.8951416015625	152.0
127.02969360351562	168.0
127.40109252929688	140.0
127.96908569335938	180.0
128.0023193359375	132.0
128.0524139404297	160.0
128.2236328125	168.0
128.2529296875	152.0
128.57093811035156	204.0
128.74024963378906	240.0
128.86598205566406	236.0
128.96165466308594	148.0
129.00686645507812	164.0
129.64288330078125	176.0
129.72900390625	200.0
129.84010314941406	160.0
129.94041442871094	164.0
130.02337646484375	200.0
130.03907775878906	308.0
130.23403930664062	172.0
130.260009765625	232.0
130.341796875	152.0
130.40997314453125	160.0
130.44406127929688	164.0
131.05320739746094	164.0
131.38229370117188	176.0
131.43247985839844	176.0
131.61965942382812	176.0
131.64248657226562	184.0
131.6995849609375	224.0
132.072509765625	100.0
132.23460388183594	148.0
132.5987548828125	160.0
133.1149139404297	232.0
133.24354553222656	244.0
133.40670776367188	188.0
133.88760375976562	156.0
133.97512817382812	176.0
134.03915405273438	208.0
134.08802795410156	180.0
134.20790100097656	180.0
134.4342041015625	144.0
134.49082946777344	240.0
134.68560791015625	144.0
134.73793029785156	172.0
134.90162658691406	140.0
135.205810546875	188.0
135.2312774658203	212.0
135.6668243408203	116.0
135.86619567871094	140.0
135.9464111328125	224.0
136.0007781982422	176.0
136.63050842285156	160.0
136.73455810546875	168.0
137.3362579345703	124.0
137.4795684814453	208.0
137.76817321777344	192.0
138.00889587402344	148.0
138.0767059326172	148.0
138.1776123046875	144.0
138.2705535888672	164.0
138.32003784179688	188.0
138.69309997558594	120.0
139.00868225097656	352.0
139.32369995117188	148.0
139.50230407714844	184.0
139.76101684570312	204.0
139.81277465820312	148.0
140.00621032714844	160.0
140.12831115722656	224.0
140.24462890625	156.0
140.33335876464844	144.0
140.40174865722656	156.0
140.67779541015625	216.0
140.77224731445312	204.0
140.82655334472656	152.0
141.03921508789062	160.0
141.2449188232422	148.0
141.33009338378906	196.0
141.41099548339844	232.0
141.571533203125	144.0
141.98178100585938	148.0
142.04087829589844	152.0
142.51683044433594	156.0
142.77471923828125	196.0
142.91744995117188	164.0
143.00872802734375	108.0
143.0474395751953	1412.0
143.1126251220703	168.0
143.25074768066406	176.0
143.44345092773438	180.0
143.69178771972656	168.0
144.05128479003906	172.0
144.2864532470703	244.0
144.6141815185547	148.0
144.88955688476562	160.0
145.14942932128906	140.0
145.1843719482422	160.0
145.4842987060547	160.0
145.57794189453125	140.0
145.67881774902344	160.0
145.97683715820312	144.0
146.12356567382812	152.0
146.26795959472656	148.0
146.49913024902344	180.0
146.53501892089844	236.0
146.72137451171875	140.0
146.86070251464844	176.0
147.2798614501953	228.0
147.31207275390625	156.0
147.36764526367188	172.0
147.582763671875	184.0
148.00192260742188	116.0
148.16604614257812	176.0
148.24114990234375	204.0
148.41082763671875	164.0
148.4617462158203	304.0
148.5369415283203	184.0
149.04190063476562	192.0
149.32147216796875	236.0
149.86187744140625	152.0
149.92459106445312	136.0
149.94473266601562	172.0
150.0065155029297	308.0
150.12269592285156	248.0
150.19342041015625	200.0
150.28367614746094	140.0
150.3422393798828	160.0
151.00628662109375	10444.0
151.06143188476562	148.0
151.82965087890625	156.0
151.91456604003906	188.0
152.0115203857422	1964.0
152.10935974121094	160.0
152.13145446777344	260.0
152.156005859375	140.0
152.4089813232422	160.0
152.4335479736328	164.0
152.58348083496094	188.0
153.0035858154297	3812.0
153.04750061035156	140.0
153.2244873046875	108.0
153.69921875	244.0
153.72389221191406	160.0
153.88275146484375	144.0
153.92630004882812	188.0
154.008544921875	496.0
154.05967712402344	148.0
154.16839599609375	152.0
154.27586364746094	116.0
154.52198791503906	276.0
154.60610961914062	180.0
155.02085876464844	448.0
155.20558166503906	148.0
155.2601318359375	240.0
155.29981994628906	196.0
155.60255432128906	204.0
155.8541717529297	144.0
156.8197021484375	188.0
156.87380981445312	156.0
157.0539093017578	304.0
157.08416748046875	144.0
157.12318420410156	336.0
157.4926300048828	216.0
157.61004638671875	228.0
158.05987548828125	2084.0
158.08766174316406	176.0
158.63323974609375	164.0
159.0638885498047	160.0
159.09524536132812	188.0
159.28860473632812	184.0
159.3740234375	148.0
159.61984252929688	200.0
159.86434936523438	188.0
160.07077026367188	144.0
160.2899169921875	180.0
160.3680419921875	184.0
160.67063903808594	184.0
160.8411102294922	108.0
161.02908325195312	176.0
161.1986846923828	148.0
161.27415466308594	160.0
161.29690551757812	140.0
161.69146728515625	176.0
161.77499389648438	152.0
162.0004425048828	276.0
162.1118621826172	160.0
162.35269165039062	196.0
162.8399658203125	244.0
163.00469970703125	900.0
163.0681915283203	140.0
163.1217041015625	136.0
163.216064453125	148.0
163.62570190429688	144.0
163.944091796875	144.0
164.00051879882812	400.0
164.39291381835938	208.0
164.8883514404297	152.0
165.01885986328125	476.0
165.1133270263672	148.0
165.1516876220703	200.0
165.5406951904297	220.0
166.0161590576172	1108.0
166.3431854248047	212.0
166.46942138671875	120.0
166.9392547607422	192.0
167.01560974121094	440.0
167.2300262451172	180.0
167.46168518066406	160.0
167.508056640625	160.0
167.66375732421875	100.0
167.8060302734375	216.0
167.85598754882812	164.0
167.92819213867188	156.0
168.01193237304688	556.0
168.0623321533203	176.0
168.33078002929688	176.0
168.5038299560547	176.0
168.99249267578125	140.0
169.0185089111328	148.0
169.05136108398438	444.0
169.1986083984375	180.0
169.32382202148438	180.0
169.87591552734375	180.0
170.05694580078125	924.0
170.340576171875	172.0
170.72003173828125	144.0
170.84487915039062	172.0
170.95059204101562	152.0
171.0548095703125	184.0
171.11033630371094	208.0
171.9027099609375	204.0
172.0802001953125	168.0
172.39102172851562	148.0
172.45114135742188	176.0
172.76683044433594	152.0
172.90098571777344	152.0
172.94808959960938	308.0
173.0004425048828	172.0
173.13397216796875	144.0
173.15492248535156	144.0
173.19683837890625	144.0
173.56373596191406	180.0
174.34861755371094	212.0
174.6746368408203	200.0
174.7778778076172	200.0
174.80093383789062	160.0
175.0457305908203	236.0
175.11947631835938	172.0
175.57278442382812	160.0
175.6439971923828	160.0
175.7838134765625	180.0
175.93162536621094	200.0
176.00291442871094	160.0
176.0419158935547	156.0
176.21156311035156	152.0
176.31198120117188	232.0
176.4890899658203	208.0
176.7679901123047	164.0
176.8316192626953	116.0
177.16397094726562	144.0
177.2407989501953	148.0
177.47935485839844	196.0
177.5323944091797	188.0
177.70745849609375	164.0
177.8586883544922	148.0
177.9564971923828	136.0
177.981201171875	268.0
178.01734924316406	99944.0
178.13748168945312	136.0
178.17684936523438	192.0
178.1977081298828	116.0
178.25469970703125	124.0
178.29376220703125	200.0
178.34693908691406	180.0
178.3758087158203	172.0
178.4257354736328	152.0
178.58950805664062	116.0
178.65499877929688	128.0
178.9539794921875	152.0
179.020751953125	9140.0
179.08815002441406	168.0
179.5576934814453	108.0
179.62220764160156	172.0
179.76963806152344	164.0
179.8443603515625	164.0
179.9538116455078	204.0
180.0143280029297	24188.0
180.13075256347656	172.0
180.17169189453125	124.0
180.2891387939453	112.0
180.40797424316406	104.0
180.4574432373047	220.0
180.52674865722656	124.0
180.569580078125	156.0
180.66287231445312	164.0
180.75567626953125	192.0
181.0189971923828	1692.0
181.0645294189453	892.0
181.6298828125	168.0
181.74441528320312	148.0
182.02761840820312	240.0
182.07070922851562	244.0
182.09524536132812	124.0
182.5260467529297	176.0
182.68203735351562	240.0
182.7035675048828	160.0
182.93768310546875	144.0
183.01844787597656	140.0
183.25009155273438	180.0
183.34439086914062	188.0
184.03225708007812	152.0
184.32818603515625	128.0
184.58299255371094	184.0
184.6588592529297	196.0
184.91079711914062	156.0
185.20050048828125	160.0
185.40191650390625	140.0
185.9678192138672	140.0
186.640380859375	132.0
186.99789428710938	152.0
187.03872680664062	176.0
187.10772705078125	204.0
187.61895751953125	148.0
188.00003051757812	1636.0
188.41172790527344	128.0
188.44862365722656	156.0
188.53668212890625	160.0
188.6702880859375	152.0
188.91885375976562	184.0
188.95989990234375	152.0
189.0190887451172	652.0
189.14598083496094	176.0
189.38145446777344	196.0
189.7102813720703	176.0
189.74591064453125	156.0
189.78155517578125	180.0
189.9570770263672	164.0
189.99879455566406	1116.0
190.330322265625	160.0
190.69020080566406	196.0
190.72633361816406	136.0
191.01702880859375	176.0
191.0263671875	152.0
191.16871643066406	140.0
191.58998107910156	164.0
192.02511596679688	204.0
192.23785400390625	176.0
193.0287322998047	1196.0
193.08819580078125	184.0
193.35992431640625	160.0
193.5476837158203	160.0
193.68386840820312	140.0
193.72265625	156.0
193.83160400390625	184.0
194.03395080566406	308.0
194.78785705566406	176.0
194.9239959716797	152.0
195.0250244140625	420.0
195.0634307861328	348.0
195.22976684570312	148.0
195.739013671875	140.0
195.77650451660156	104.0
196.0271453857422	5236.0
196.0746307373047	612.0
196.54177856445312	164.0
196.8946990966797	132.0
197.0372314453125	208.0
197.08140563964844	216.0
197.344970703125	188.0
197.49441528320312	184.0
197.52735900878906	164.0
197.63987731933594	144.0
198.02357482910156	1164.0
198.13824462890625	188.0
198.3203887939453	176.0
198.38485717773438	152.0
198.4886016845703	144.0
198.52505493164062	164.0
199.02638244628906	176.0
199.0582275390625	172.0
199.35678100585938	156.0
199.63990783691406	264.0
200.00003051757812	220.0
201.05128479003906	152.0
201.20326232910156	152.0
201.3590087890625	176.0
201.4465789794922	164.0
201.65553283691406	156.0
201.6811065673828	180.0
201.9751739501953	180.0
202.0402374267578	176.0
202.0883331298828	156.0
202.8756561279297	164.0
203.01278686523438	704.0
203.40382385253906	188.0
203.6474609375	152.0
203.86622619628906	160.0
204.0338134765625	264.0
204.0879364013672	212.0
204.18746948242188	140.0
204.41310119628906	204.0
204.59104919433594	168.0
204.62339782714844	120.0
204.776611328125	156.0
204.89739990234375	164.0
204.9434051513672	148.0
204.9910888671875	464.0
205.02871704101562	110260.0
205.29409790039062	132.0
205.35272216796875	264.0
205.4435272216797	320.0
205.4962158203125	200.0
205.67210388183594	104.0
205.9180450439453	168.0
206.03067016601562	8140.0
206.17552185058594	132.0
206.49571228027344	112.0
206.54051208496094	168.0
206.5736083984375	140.0
206.62203979492188	244.0
206.83236694335938	152.0
206.96519470214844	152.0
207.02565002441406	23052.0
207.08148193359375	288.0
207.14515686035156	120.0
207.18679809570312	120.0
207.2670440673828	108.0
207.45033264160156	124.0
207.489990234375	164.0
207.61358642578125	168.0
208.028076171875	1396.0
208.2965545654297	108.0
208.3800048828125	132.0
208.5016326904297	212.0
208.89553833007812	140.0
209.05953979492188	164.0
209.15988159179688	324.0
209.63473510742188	188.0
209.93955993652344	148.0
209.9961700439453	104.0
210.14060974121094	152.0
210.31033325195312	176.0
210.52975463867188	140.0
210.87643432617188	192.0
211.01502990722656	744.0
211.06434631347656	140.0
211.91819763183594	164.0
212.03990173339844	140.0
213.01785278320312	188.0
213.15135192871094	224.0
214.01589965820312	264.0
214.1142578125	188.0
214.17250061035156	192.0
214.29193115234375	192.0
214.37351989746094	160.0
215.01412963867188	248.0
215.7861785888672	140.0
215.9207763671875	200.0
216.03231811523438	1956.0
216.17257690429688	156.0
216.48558044433594	152.0
216.51193237304688	152.0
216.9716796875	124.0
217.0013885498047	116.0
217.04112243652344	1544.0
217.25643920898438	176.0
217.28829956054688	260.0
218.0227508544922	456.0
218.0421600341797	708.0
218.56797790527344	180.0
218.59327697753906	188.0
218.77633666992188	148.0
219.03408813476562	256.0
219.1144256591797	188.0
219.61260986328125	156.0
219.63916015625	144.0
219.68045043945312	152.0
219.9873504638672	164.0
220.03330993652344	376.0
220.12660217285156	164.0
220.1546630859375	132.0
220.25311279296875	148.0
221.03419494628906	176.0
221.1046142578125	152.0
221.28518676757812	288.0
221.32179260253906	120.0
221.833251953125	212.0
222.03457641601562	428.0
222.07757568359375	1436.0
222.1904296875	136.0
222.72344970703125	172.0
222.8063507080078	176.0
223.08526611328125	3288.0
223.42481994628906	148.0
223.482666015625	280.0
223.74887084960938	192.0
224.02931213378906	144.0
224.08660888671875	672.0
224.9239044189453	180.0
225.06248474121094	180.0
225.08810424804688	164.0
225.34197998046875	152.0
225.38978576660156	180.0
226.01470947265625	176.0
226.06558227539062	160.0
226.16062927246094	184.0
226.3529510498047	144.0
227.30616760253906	140.0
227.57630920410156	140.0
227.93374633789062	156.0
228.03428649902344	144.0
228.06898498535156	144.0
228.207275390625	164.0
228.4929962158203	180.0
229.02687072753906	192.0
229.8729705810547	208.0
230.00576782226562	164.0
230.04598999023438	296.0
231.04351806640625	4452.0
231.09974670410156	180.0
231.35093688964844	148.0
231.6810302734375	144.0
231.9810333251953	192.0
232.04530334472656	588.0
232.3455047607422	132.0
232.88119506835938	236.0
233.04014587402344	1588.0
233.38973999023438	156.0
233.49313354492188	152.0
233.81858825683594	164.0
234.04957580566406	428.0
234.33631896972656	172.0
234.73561096191406	148.0
235.14439392089844	240.0
235.24346923828125	148.0
235.3550262451172	164.0
235.4038848876953	140.0
235.5118865966797	188.0
235.6451873779297	168.0
236.21075439453125	208.0
236.3861846923828	128.0
236.4249267578125	160.0
236.4463348388672	220.0
236.5491485595703	120.0
236.8780517578125	212.0
237.0741424560547	160.0
237.3653564453125	208.0
237.45123291015625	160.0
237.5524444580078	164.0
237.8144073486328	204.0
237.994384765625	148.0
238.0548858642578	148.0
238.72262573242188	172.0
239.52899169921875	196.0
239.69227600097656	164.0
240.55274963378906	256.0
241.02830505371094	800.0
241.55393981933594	156.0
241.6900634765625	140.0
241.8974151611328	192.0
242.0331573486328	448.0
243.02716064453125	376.0
243.80178833007812	172.0
244.0308074951172	600.0
244.2588348388672	144.0
244.33038330078125	148.0
245.02931213378906	196.0
245.89773559570312	184.0
246.02735900878906	112.0
246.05068969726562	140.0
247.16648864746094	140.0
247.6110076904297	180.0
248.01832580566406	144.0
249.04434204101562	148.0
249.48739624023438	192.0
250.06935119628906	368.0
250.10394287109375	156.0
250.71392822265625	112.0
250.9135284423828	144.0
251.08018493652344	1520.0
251.71493530273438	340.0
251.80152893066406	192.0
251.9075927734375	184.0
252.03475952148438	108.0
252.08201599121094	528.0
252.417236328125	164.0
253.17591857910156	156.0
253.93788146972656	140.0
254.03904724121094	168.0
254.3870849609375	176.0
254.6216278076172	120.0
255.04779052734375	196.0
255.2035675048828	144.0
256.03900146484375	312.0
256.07867431640625	208.0
256.40045166015625	164.0
256.72564697265625	184.0
257.0462646484375	2560.0
257.1903381347656	180.0
257.48516845703125	152.0
257.93731689453125	164.0
258.00030517578125	144.0
258.0542297363281	6540.0
258.5291442871094	108.0
258.8282775878906	172.0
259.0427551269531	2048.0
259.3793029785156	192.0
259.76849365234375	128.0
259.91192626953125	152.0
260.0490417480469	2428.0
260.48956298828125	168.0
260.5730895996094	152.0
260.9727478027344	124.0
261.03692626953125	460.0
261.1420593261719	172.0
261.38653564453125	180.0
261.45733642578125	140.0
261.8472595214844	104.0
262.02734375	172.0
262.35498046875	192.0
262.51397705078125	140.0
263.0075988769531	148.0
264.3336486816406	228.0
264.48797607421875	140.0
264.99639892578125	280.0
265.1778869628906	164.0
265.5608825683594	156.0
266.47589111328125	164.0
267.0592041015625	116.0
267.10003662109375	160.0
267.16510009765625	224.0
267.9268798828125	160.0
268.0308837890625	136.0
268.39947509765625	204.0
268.93121337890625	160.0
269.0230712890625	3508.0
269.1956787109375	152.0
269.5092468261719	164.0
269.78704833984375	172.0
270.0235900878906	1032.0
270.169677734375	144.0
271.01739501953125	696.0
271.1061096191406	176.0
271.4207763671875	164.0
271.68646240234375	172.0
271.84722900390625	156.0
272.01025390625	344.0
272.1842346191406	96.0
272.3889465332031	168.0
273.5892333984375	152.0
274.083251953125	156.0
274.54144287109375	160.0
274.7723388671875	184.0
275.0132141113281	192.0
275.13037109375	140.0
275.5283508300781	148.0
275.8918762207031	140.0
275.93817138671875	160.0
276.19610595703125	196.0
276.9242858886719	164.0
277.2787780761719	144.0
277.8457946777344	208.0
277.95989990234375	144.0
278.26934814453125	176.0
278.30712890625	156.0
278.8241271972656	156.0
279.3972473144531	176.0
279.4870910644531	180.0
280.5528564453125	168.0
281.0431213378906	148.0
281.169921875	212.0
281.249755859375	148.0
281.4570007324219	160.0
281.7275085449219	144.0
281.94805908203125	208.0
282.1519470214844	208.0
282.2500915527344	112.0
282.88690185546875	112.0
282.9984130859375	168.0
283.0954895019531	272.0
283.2596130371094	180.0
283.2996826171875	192.0
283.6882019042969	120.0
283.9090576171875	104.0
284.0345764160156	188.0
284.06365966796875	116.0
284.1370849609375	144.0
284.16571044921875	140.0
284.22674560546875	136.0
284.2607116699219	168.0
284.2882080078125	96.0
284.3607177734375	148.0
284.47998046875	100.0
284.52386474609375	292.0
284.5921630859375	168.0
284.7129211425781	164.0
284.80792236328125	184.0
284.85430908203125	164.0
284.9130859375	228.0
284.9604797363281	152.0
285.009033203125	132.0
285.0512390136719	188.0
285.0818176269531	264.0
285.1635437011719	120.0
285.2735290527344	236.0
285.3309020996094	124.0
285.36517333984375	208.0
285.3927001953125	108.0
285.47528076171875	148.0
285.5458068847656	220.0
285.593505859375	152.0
285.6583557128906	248.0
285.7247009277344	280.0
285.79266357421875	284.0
285.84429931640625	388.0
285.8982849121094	296.0
285.9507141113281	980.0
286.05194091796875	253524.0
286.14642333984375	148.0
286.2770690917969	332.0
286.36431884765625	1136.0
286.4269714355469	240.0
286.46588134765625	584.0
286.56658935546875	1396.0
286.6087341308594	9668.0
286.65020751953125	1104.0
286.7347412109375	132.0
286.8007507324219	128.0
286.8313903808594	128.0
286.8587646484375	288.0
286.8899841308594	252.0
286.93280029296875	348.0
286.97589111328125	296.0
287.053466796875	96588.0
287.16131591796875	144.0
287.1771240234375	132.0
287.220947265625	208.0
287.2795104980469	236.0
287.36810302734375	296.0
287.42144775390625	220.0
287.450927734375	220.0
287.4761962890625	404.0
287.5310974121094	308.0
287.6136474609375	140.0
287.658935546875	252.0
287.725830078125	236.0
287.75775146484375	224.0
287.79217529296875	176.0
287.84417724609375	124.0
287.8996887207031	152.0
287.925048828125	132.0
288.0484924316406	138276.0
288.16925048828125	424.0
288.2171325683594	100.0
288.2894287109375	204.0
288.3340148925781	204.0
288.3772888183594	200.0
288.44287109375	212.0
288.47796630859375	528.0
288.5655822753906	452.0
288.6034240722656	676.0
288.65557861328125	244.0
288.688232421875	260.0
288.7217102050781	136.0
288.7757263183594	484.0
288.8607177734375	144.0
288.9037780761719	248.0
288.9442443847656	232.0
288.9828796386719	316.0
289.0500183105469	19812.0
289.12451171875	304.0
289.1464538574219	356.0
289.2041931152344	156.0
289.2549133300781	228.0
289.2780456542969	176.0
289.4319763183594	260.0
289.485595703125	120.0
289.6220703125	140.0
289.63299560546875	208.0
289.6974182128906	116.0
289.7261962890625	208.0
289.73919677734375	148.0
289.84735107421875	172.0
289.93426513671875	108.0
290.04901123046875	180.0
290.0932312011719	184.0
290.1249084472656	208.0
290.1793212890625	156.0
290.2661437988281	124.0
290.59393310546875	132.0
290.7523498535156	128.0
290.7851257324219	124.0
290.8359680175781	112.0
290.91412353515625	252.0
290.9556579589844	108.0
291.0216064453125	168.0
291.1172180175781	212.0
291.2030334472656	108.0
291.3687744140625	112.0
291.8843688964844	120.0
292.0665283203125	124.0
292.1448059082031	100.0
292.2535400390625	180.0
292.5182189941406	124.0
293.8992614746094	152.0
295.9590759277344	164.0
297.4536437988281	116.0
297.80712890625	104.0
297.9171447753906	104.0
299.26959228515625	104.0
301.2325439453125	156.0
325.63604736328125	140.0
327.0685119628906	108.0
347.7223205566406	120.0
404.5246276855469	140.0
430.3472595214844	172.0
447.3029479980469	140.0
481.7601623535156	140.0
487.6624755859375	148.0
507.4035949707031	148.0
543.84765625	140.0
665.8936767578125	148.0
680.481689453125	176.0
823.9805908203125	152.0
1023.8523559570312	196.0
1090.6492919921875	168.0
1149.8787841796875	148.0
1194.4754638671875	180.0
1273.3695068359375	160.0
1385.4552001953125	176.0
1387.470947265625	160.0
1426.898193359375	172.0
1435.579833984375	140.0
1518.27099609375	160.0
1523.7432861328125	180.0
1536.1680908203125	228.0
1558.0484619140625	188.0
1568.372802734375	180.0
1577.9720458984375	144.0
1596.6380615234375	160.0
1626.4879150390625	148.0
1636.440185546875	188.0
1654.8486328125	256.0
1684.26318359375	180.0
1694.0382080078125	144.0
1703.71826171875	144.0
1724.309814453125	196.0
1724.8966064453125	156.0
1732.9310302734375	208.0
1752.5157470703125	228.0
1756.3504638671875	184.0
1763.6649169921875	164.0
1767.3529052734375	156.0
1771.4552001953125	220.0
1782.5887451171875	148.0
1790.3953857421875	152.0
1799.080078125	180.0
1802.95703125	200.0
1806.761962890625	140.0
1809.038330078125	176.0
1836.9281005859375	140.0
1844.47998046875	176.0
1875.6871337890625	168.0
1879.8270263671875	156.0
1883.1075439453125	184.0
1889.18408203125	220.0
1890.67236328125	168.0
1891.156982421875	144.0
1903.6932373046875	144.0
1905.2392578125	160.0
1907.0379638671875	156.0
1911.4384765625	184.0
1918.0399169921875	188.0
1931.609375	144.0
1935.2237548828125	172.0
1939.6390380859375	152.0
1944.5595703125	192.0
1959.1912841796875	144.0
1967.66650390625	212.0
1980.2584228515625	144.0
1983.9268798828125	172.0
1995.9482421875	176.0
1998.830322265625	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079210
PEPMASS=256.185028
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003592_G2_H11_BE3_01_15737.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CCN(Cc1ccccc1)c2ccccn2
INCHI=InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
INCHIAUX=UFLGIAIHIAPJJC-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079210
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079210
SCANS=1068
44.88753890991211	156.0
44.966251373291016	172.0
45.168006896972656	216.0
45.692535400390625	168.0
45.88243103027344	180.0
45.92288589477539	196.0
46.14452362060547	156.0
46.690818786621094	168.0
46.85279846191406	160.0
47.53096389770508	148.0
48.03864669799805	172.0
48.13801956176758	148.0
48.25685119628906	176.0
48.43952941894531	192.0
48.778114318847656	172.0
49.0662841796875	180.0
49.40564727783203	180.0
50.60476303100586	168.0
50.7791633605957	112.0
50.830135345458984	200.0
50.84574508666992	204.0
51.93150329589844	192.0
52.089393615722656	192.0
52.30508804321289	144.0
52.32571029663086	172.0
52.38572692871094	168.0
52.54147720336914	104.0
52.821678161621094	228.0
52.87520980834961	148.0
53.726707458496094	152.0
54.182838439941406	160.0
54.38373565673828	148.0
54.43071365356445	156.0
54.62618637084961	176.0
54.796958923339844	196.0
54.92521286010742	160.0
54.96062088012695	152.0
56.23771286010742	136.0
56.98414993286133	200.0
57.37092971801758	200.0
57.52178192138672	156.0
57.5368766784668	176.0
57.958858489990234	180.0
58.09379196166992	192.0
58.300289154052734	148.0
58.55282974243164	156.0
58.90974807739258	188.0
59.02284622192383	152.0
59.143707275390625	156.0
59.154422760009766	196.0
59.639137268066406	148.0
60.23391342163086	204.0
60.412078857421875	172.0
60.60520935058594	192.0
60.993186950683594	164.0
61.06782150268555	172.0
61.10204315185547	148.0
61.946617126464844	184.0
61.960716247558594	140.0
62.726226806640625	164.0
62.79856872558594	192.0
63.08753204345703	164.0
63.123897552490234	152.0
63.553157806396484	144.0
63.71510314941406	148.0
63.969547271728516	148.0
64.13680267333984	184.0
64.5934829711914	180.0
64.71990966796875	156.0
64.8288345336914	152.0
64.98277282714844	164.0
65.55842590332031	200.0
65.59871673583984	184.0
65.67611694335938	192.0
65.84235382080078	176.0
66.02497863769531	180.0
66.07673645019531	144.0
66.47370910644531	152.0
66.60684204101562	144.0
66.63152313232422	144.0
66.84746551513672	224.0
67.00703430175781	196.0
67.2108383178711	244.0
67.35614013671875	188.0
67.5179443359375	172.0
67.8973159790039	180.0
68.244384765625	188.0
68.60823059082031	168.0
68.62142181396484	228.0
68.79959869384766	156.0
69.41177368164062	188.0
69.64910125732422	144.0
69.92510223388672	208.0
70.0483169555664	192.0
70.11163330078125	148.0
70.13162994384766	156.0
70.1866455078125	164.0
70.33011627197266	184.0
70.48877716064453	152.0
70.68608856201172	164.0
70.97252655029297	200.0
71.08490753173828	208.0
71.13358306884766	224.0
71.41923522949219	200.0
71.44615173339844	144.0
71.85553741455078	152.0
72.2745590209961	144.0
72.97846221923828	196.0
73.1809310913086	164.0
73.59867095947266	172.0
73.68919372558594	224.0
73.7438735961914	140.0
73.81909942626953	140.0
74.36732482910156	148.0
74.44286346435547	168.0
74.4651870727539	160.0
74.7247543334961	152.0
75.11581420898438	244.0
75.1347885131836	228.0
75.79373931884766	148.0
75.83858489990234	152.0
75.9010009765625	192.0
75.92180633544922	196.0
76.32467651367188	232.0
76.38207244873047	140.0
76.8371353149414	152.0
76.89781951904297	168.0
77.38203430175781	164.0
77.60804748535156	144.0
77.62383270263672	192.0
78.34092712402344	156.0
78.49778747558594	164.0
78.51576232910156	144.0
78.5330581665039	140.0
78.56304931640625	172.0
79.256103515625	144.0
79.26850891113281	176.0
79.70502471923828	140.0
80.00382232666016	168.0
80.30317687988281	196.0
80.4262924194336	220.0
80.63504028320312	140.0
80.72464752197266	164.0
81.96143341064453	152.0
82.01009368896484	196.0
82.41613006591797	152.0
82.56074523925781	200.0
83.44926452636719	148.0
83.66576385498047	156.0
84.04667663574219	148.0
84.10142517089844	196.0
84.24933624267578	160.0
84.30232238769531	144.0
84.80377960205078	160.0
85.15972900390625	216.0
85.49617004394531	184.0
85.57716369628906	164.0
86.16551208496094	144.0
86.19876861572266	192.0
86.31707000732422	188.0
86.63170623779297	168.0
86.99146270751953	144.0
87.09358978271484	160.0
87.364990234375	140.0
87.49898529052734	188.0
88.18731689453125	176.0
88.91399383544922	196.0
89.33488464355469	156.0
89.54004669189453	184.0
89.5610580444336	156.0
89.7921371459961	148.0
89.84729766845703	188.0
90.03227233886719	160.0
90.11349487304688	152.0
90.56182861328125	200.0
90.59781646728516	148.0
90.93534088134766	184.0
91.05522918701172	8640.0
91.543701171875	140.0
91.61226654052734	208.0
91.94403839111328	168.0
92.05677795410156	588.0
92.07379150390625	232.0
92.61128997802734	216.0
92.69366455078125	140.0
92.93142700195312	140.0
93.05762481689453	316.0
93.77948760986328	152.0
94.0688705444336	156.0
94.13639831542969	216.0
94.31800079345703	188.0
94.37213134765625	208.0
94.63139343261719	156.0
94.64688873291016	156.0
94.67399597167969	148.0
94.8813247680664	184.0
95.0714111328125	176.0
96.0715103149414	152.0
96.2334976196289	236.0
96.62633514404297	184.0
97.25341033935547	140.0
97.50284576416016	160.0
98.1110610961914	168.0
98.8833999633789	160.0
99.2320327758789	140.0
99.2677230834961	148.0
100.09038543701172	148.0
100.39925384521484	160.0
100.61275482177734	160.0
100.68624877929688	144.0
100.73457336425781	228.0
101.08845520019531	192.0
101.41289520263672	200.0
101.5532455444336	168.0
101.5780258178711	180.0
102.01105499267578	148.0
102.08746337890625	196.0
102.14176177978516	172.0
102.17797088623047	144.0
102.44169616699219	228.0
102.45982360839844	152.0
102.5001220703125	184.0
103.69851684570312	200.0
103.88911437988281	192.0
104.09004974365234	180.0
104.13472747802734	180.0
104.70825958251953	196.0
104.74826049804688	144.0
104.83253479003906	152.0
104.99685668945312	128.0
105.07109069824219	300.0
105.10578155517578	176.0
105.32013702392578	176.0
105.56333923339844	152.0
105.64924621582031	200.0
105.97476959228516	200.0
106.33773040771484	208.0
106.4013671875	168.0
106.4958267211914	164.0
106.541015625	188.0
106.5800552368164	176.0
106.97904205322266	180.0
107.39527893066406	196.0
107.4385986328125	152.0
108.23845672607422	188.0
109.05902099609375	128.0
109.19721984863281	212.0
109.471923828125	172.0
109.60940551757812	164.0
109.6552505493164	180.0
109.80744934082031	160.0
110.40367889404297	180.0
110.52188873291016	164.0
110.70323944091797	176.0
111.58316802978516	160.0
111.99140930175781	152.0
112.07988739013672	144.0
112.78898620605469	192.0
113.0851058959961	184.0
113.2693099975586	148.0
113.71033477783203	168.0
114.70362854003906	184.0
114.76758575439453	140.0
115.18374633789062	208.0
115.39543151855469	140.0
115.56427764892578	140.0
115.9947280883789	140.0
116.12767028808594	140.0
116.4453125	176.0
116.97425842285156	244.0
117.17237854003906	156.0
118.28885650634766	160.0
118.53792572021484	160.0
118.55309295654297	176.0
118.60334777832031	128.0
118.6989517211914	140.0
118.79592895507812	156.0
118.8479995727539	208.0
119.06108093261719	37352.0
119.15389251708984	160.0
119.2138671875	124.0
119.25652313232422	100.0
119.40937805175781	132.0
119.53724670410156	120.0
119.85254669189453	232.0
120.01383972167969	140.0
120.0682601928711	20552.0
120.1380615234375	128.0
120.29024505615234	176.0
120.35858917236328	232.0
120.43065643310547	184.0
120.53333282470703	184.0
120.63446044921875	172.0
120.80662536621094	168.0
120.86883544921875	156.0
120.90444946289062	152.0
121.07032012939453	1400.0
121.1174545288086	156.0
121.20508575439453	152.0
121.43343353271484	148.0
121.81939697265625	224.0
122.07324981689453	264.0
122.58903503417969	208.0
123.76017761230469	152.0
124.21893310546875	188.0
124.28327178955078	204.0
126.4515609741211	140.0
126.69338989257812	184.0
127.14632415771484	172.0
127.51609802246094	180.0
128.45130920410156	148.0
128.71536254882812	164.0
128.8102264404297	156.0
129.5023651123047	148.0
129.61790466308594	216.0
129.82191467285156	188.0
129.9512176513672	204.0
130.61683654785156	160.0
131.22259521484375	148.0
132.00120544433594	184.0
132.18739318847656	104.0
132.53224182128906	144.0
133.0748748779297	144.0
133.3262176513672	200.0
133.5768280029297	204.0
134.02806091308594	140.0
134.6024169921875	164.0
134.849609375	160.0
134.99755859375	184.0
135.48825073242188	168.0
136.3328399658203	152.0
137.0146026611328	144.0
137.90599060058594	196.0
138.1585235595703	164.0
138.47686767578125	160.0
138.78854370117188	172.0
139.25083923339844	192.0
139.31895446777344	164.0
140.20130920410156	144.0
140.42527770996094	220.0
140.8713836669922	152.0
141.38209533691406	144.0
141.48861694335938	176.0
142.79000854492188	124.0
142.876953125	188.0
143.24356079101562	160.0
144.15255737304688	160.0
144.594970703125	168.0
145.05245971679688	240.0
145.12197875976562	160.0
145.14834594726562	168.0
145.52505493164062	176.0
145.77593994140625	152.0
145.93832397460938	160.0
146.3377227783203	184.0
146.47979736328125	224.0
147.0874481201172	152.0
147.6141357421875	144.0
148.75042724609375	168.0
149.05886840820312	160.0
149.0843963623047	204.0
149.66696166992188	196.0
151.37594604492188	164.0
151.5869140625	244.0
151.650634765625	168.0
152.81214904785156	236.0
152.86874389648438	184.0
153.4525146484375	180.0
153.5684051513672	164.0
154.33395385742188	168.0
155.32208251953125	140.0
155.34317016601562	160.0
155.5677490234375	176.0
155.71450805664062	152.0
156.22877502441406	188.0
156.38304138183594	156.0
157.33026123046875	140.0
158.77902221679688	164.0
159.32440185546875	204.0
160.27223205566406	156.0
160.34530639648438	176.0
161.29432678222656	184.0
162.29684448242188	164.0
162.32220458984375	152.0
162.70785522460938	204.0
162.85260009765625	156.0
163.4059600830078	164.0
164.99053955078125	140.0
165.0749053955078	188.0
165.23680114746094	220.0
165.38958740234375	140.0
166.44068908691406	144.0
166.53314208984375	164.0
167.6651611328125	196.0
167.79403686523438	164.0
167.9694061279297	204.0
168.09092712402344	156.0
168.26100158691406	224.0
168.4417724609375	140.0
168.6924285888672	172.0
168.72344970703125	220.0
169.03382873535156	140.0
169.06228637695312	172.0
169.38075256347656	144.0
170.49639892578125	140.0
171.17015075683594	176.0
171.34205627441406	140.0
171.4514923095703	148.0
171.77218627929688	192.0
173.48764038085938	176.0
173.70529174804688	184.0
173.99658203125	176.0
174.56149291992188	208.0
174.8745574951172	164.0
174.96669006347656	140.0
175.28274536132812	264.0
175.3828887939453	156.0
175.4936065673828	180.0
175.88668823242188	228.0
177.08444213867188	208.0
177.50315856933594	204.0
177.52171325683594	140.0
177.63311767578125	140.0
180.397216796875	144.0
181.14114379882812	172.0
181.2349090576172	144.0
182.45069885253906	140.0
183.08839416503906	152.0
183.36859130859375	248.0
184.07554626464844	144.0
184.8349609375	212.0
185.1381378173828	148.0
185.26002502441406	192.0
186.1143341064453	216.0
186.55174255371094	148.0
186.71217346191406	156.0
188.79844665527344	156.0
189.9954071044922	148.0
190.1682891845703	144.0
191.61195373535156	148.0
191.68910217285156	188.0
191.9509735107422	176.0
192.56361389160156	172.0
192.93112182617188	160.0
194.07177734375	192.0
194.22430419921875	192.0
194.5017852783203	152.0
196.21539306640625	140.0
196.90927124023438	120.0
197.39366149902344	204.0
197.8693084716797	172.0
198.39599609375	168.0
198.5151824951172	140.0
198.55862426757812	180.0
198.9514617919922	196.0
199.13397216796875	140.0
199.38121032714844	176.0
199.51332092285156	160.0
200.45620727539062	144.0
200.9129638671875	144.0
201.40695190429688	148.0
201.91004943847656	140.0
202.64602661132812	168.0
202.83421325683594	104.0
202.9833221435547	156.0
203.0598907470703	216.0
203.83489990234375	148.0
204.6085205078125	204.0
205.04148864746094	152.0
205.808837890625	272.0
206.302978515625	180.0
206.3917236328125	200.0
207.6643524169922	152.0
207.79803466796875	220.0
207.85829162597656	144.0
207.91856384277344	180.0
208.21713256835938	160.0
208.47569274902344	188.0
208.68551635742188	164.0
209.384765625	168.0
209.49099731445312	164.0
209.76788330078125	116.0
209.93521118164062	156.0
210.0188446044922	168.0
210.07565307617188	184.0
210.12107849121094	308.0
210.15731811523438	176.0
210.24717712402344	140.0
210.33445739746094	208.0
210.36788940429688	116.0
210.40658569335938	120.0
210.447998046875	140.0
210.45657348632812	228.0
210.4945526123047	96.0
210.56790161132812	260.0
210.59217834472656	128.0
210.64891052246094	184.0
210.7357940673828	244.0
210.77133178710938	140.0
210.82537841796875	244.0
210.86410522460938	156.0
210.91880798339844	220.0
210.94488525390625	136.0
210.9829864501953	176.0
211.03323364257812	332.0
211.12506103515625	276312.0
211.22877502441406	128.0
211.2762908935547	196.0
211.33230590820312	324.0
211.39035034179688	424.0
211.430908203125	184.0
211.48020935058594	212.0
211.5126953125	156.0
211.5597686767578	152.0
211.59983825683594	7128.0
211.6400146484375	196.0
211.6885986328125	272.0
211.75079345703125	172.0
211.81398010253906	208.0
211.8675079345703	148.0
211.91729736328125	192.0
211.96983337402344	364.0
212.04176330566406	108.0
212.0682830810547	140.0
212.12710571289062	60008.0
212.21710205078125	104.0
212.25125122070312	116.0
212.39727783203125	112.0
212.43487548828125	248.0
212.4868621826172	96.0
212.59518432617188	172.0
212.7463836669922	136.0
212.82437133789062	152.0
212.91751098632812	228.0
212.972900390625	196.0
213.03753662109375	96.0
213.1292266845703	3944.0
213.2762451171875	112.0
213.3371124267578	96.0
213.4188690185547	148.0
213.44383239746094	104.0
213.49111938476562	236.0
213.51431274414062	284.0
213.5369415283203	208.0
213.57244873046875	224.0
213.62966918945312	184.0
213.6731414794922	276.0
213.72576904296875	372.0
213.7716064453125	284.0
213.80628967285156	268.0
213.8297119140625	272.0
213.89540100097656	204.0
214.12973022460938	316.0
214.28021240234375	328.0
214.44932556152344	104.0
214.5613250732422	200.0
214.8441619873047	172.0
215.71693420410156	120.0
222.98483276367188	144.0
223.05319213867188	144.0
233.87335205078125	160.0
236.09750366210938	176.0
239.54122924804688	144.0
241.77352905273438	160.0
246.23170471191406	168.0
246.97869873046875	140.0
252.34994506835938	148.0
254.15382385253906	192.0
254.64102172851562	164.0
255.08267211914062	156.0
255.15711975097656	184.0
255.2352752685547	164.0
255.5533447265625	156.0
255.81964111328125	148.0
255.87286376953125	132.0
256.0260009765625	180.0
256.1817932128906	46900.0
256.5085754394531	156.0
256.72003173828125	148.0
256.9862060546875	244.0
257.18353271484375	6016.0
257.26544189453125	204.0
257.509033203125	160.0
258.0151672363281	120.0
258.0552673339844	100.0
258.1858825683594	856.0
258.2498779296875	136.0
259.1148376464844	172.0
259.196533203125	348.0
274.0996398925781	184.0
329.89495849609375	144.0
365.10418701171875	208.0
1016.3954467773438	148.0
1112.56689453125	188.0
1122.4271240234375	164.0
1213.60498046875	152.0
1227.253662109375	216.0
1277.4632568359375	180.0
1298.8143310546875	192.0
1300.62255859375	196.0
1313.1490478515625	164.0
1323.7073974609375	176.0
1324.7430419921875	156.0
1332.9923095703125	220.0
1338.7464599609375	240.0
1361.857177734375	176.0
1399.096923828125	172.0
1403.395751953125	140.0
1406.439453125	200.0
1437.1708984375	172.0
1449.170166015625	160.0
1457.52392578125	160.0
1467.57177734375	228.0
1476.6048583984375	160.0
1494.593994140625	228.0
1508.46826171875	140.0
1515.6890869140625	176.0
1522.4378662109375	148.0
1525.9967041015625	140.0
1539.2816162109375	204.0
1549.82568359375	148.0
1560.075439453125	192.0
1582.077392578125	168.0
1590.4561767578125	168.0
1593.5452880859375	156.0
1603.6514892578125	176.0
1605.5330810546875	144.0
1619.6475830078125	192.0
1623.3663330078125	232.0
1626.0137939453125	164.0
1646.107421875	188.0
1646.745361328125	196.0
1661.96435546875	212.0
1675.020751953125	148.0
1676.185791015625	204.0
1693.365966796875	244.0
1699.0465087890625	176.0
1700.1131591796875	172.0
1707.284912109375	176.0
1708.69970703125	188.0
1721.3599853515625	184.0
1725.5655517578125	188.0
1728.3695068359375	196.0
1730.9354248046875	152.0
1733.1304931640625	140.0
1734.0089111328125	184.0
1736.1395263671875	216.0
1737.574462890625	160.0
1738.5037841796875	172.0
1740.375244140625	268.0
1743.9686279296875	160.0
1754.2069091796875	248.0
1762.24365234375	188.0
1762.8284912109375	160.0
1762.9705810546875	188.0
1763.3382568359375	144.0
1764.8597412109375	208.0
1765.2109375	152.0
1766.2144775390625	160.0
1767.3438720703125	160.0
1772.8453369140625	236.0
1774.6978759765625	156.0
1777.5665283203125	160.0
1781.0338134765625	144.0
1783.8656005859375	168.0
1783.9412841796875	144.0
1795.4259033203125	156.0
1798.9443359375	188.0
1801.1483154296875	148.0
1801.9085693359375	220.0
1807.725830078125	172.0
1808.07958984375	136.0
1808.927734375	148.0
1810.4771728515625	168.0
1817.8438720703125	160.0
1818.70947265625	232.0
1821.808837890625	216.0
1830.2542724609375	148.0
1830.5352783203125	148.0
1831.01220703125	156.0
1836.859130859375	144.0
1838.4375	180.0
1849.7279052734375	216.0
1852.42529296875	232.0
1856.2906494140625	160.0
1857.2769775390625	164.0
1858.134765625	152.0
1860.9412841796875	180.0
1861.0443115234375	212.0
1862.341064453125	140.0
1865.546142578125	196.0
1866.4403076171875	184.0
1866.8458251953125	124.0
1870.52685546875	188.0
1871.4393310546875	208.0
1875.1348876953125	184.0
1875.376220703125	216.0
1875.5572509765625	176.0
1879.7572021484375	192.0
1881.1640625	140.0
1882.6318359375	196.0
1888.8720703125	196.0
1894.6026611328125	172.0
1898.0609130859375	144.0
1898.4423828125	196.0
1907.5849609375	140.0
1930.4454345703125	160.0
1942.2425537109375	140.0
1947.8076171875	220.0
1965.220947265625	168.0
1965.9180908203125	144.0
1966.8536376953125	168.0
1970.9248046875	144.0
1975.01806640625	196.0
1978.7435302734375	164.0
1985.05224609375	140.0
1990.1453857421875	240.0
1990.8114013671875	208.0
1993.289794921875	168.0
1993.9029541015625	164.0
2000.12890625	144.0
2000.5650634765625	144.0
2001.2506103515625	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079211
PEPMASS=415.209869
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=SDM25N [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(=C)CN1CC[C@]23[C@H]4Oc5c3c(CC1[C@]2(O)Cc6c4[nH]c7ccccc67)ccc5O
INCHI=InChI=1S/C26H26N2O3/c1-14(2)13-28-10-9-25-21-15-7-8-19(29)23(21)31-24(25)22-17(12-26(25,30)20(28)11-15)16-5-3-4-6-18(16)27-22/h3-8,20,24,27,29-30H,1,9-13H2,2H3/t20?,24-,25-,26+/m0/s1
INCHIAUX=ZFMVWAWSKLAVOE-OOGIKFLQSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079211
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079211
SCANS=1097
44.89033126831055	160.0
45.05131530761719	184.0
45.35023498535156	180.0
45.423980712890625	152.0
45.61934280395508	208.0
45.69535446166992	184.0
45.7370719909668	176.0
45.829994201660156	156.0
45.9688835144043	172.0
46.11068344116211	156.0
46.473602294921875	152.0
47.41316223144531	172.0
47.922969818115234	176.0
48.2718505859375	208.0
48.35658645629883	200.0
49.08454513549805	172.0
49.15847396850586	164.0
49.49115753173828	172.0
49.76878356933594	188.0
49.802490234375	180.0
49.86571502685547	192.0
50.219112396240234	152.0
50.27272415161133	192.0
50.55253219604492	160.0
50.89414978027344	176.0
50.94363784790039	128.0
51.12443161010742	152.0
52.02061080932617	164.0
52.322654724121094	156.0
52.424774169921875	180.0
52.5949592590332	144.0
52.86233139038086	144.0
52.9661750793457	160.0
53.1202278137207	148.0
53.2392463684082	140.0
53.310428619384766	164.0
53.33513641357422	172.0
53.68893051147461	164.0
53.89329528808594	140.0
54.158084869384766	180.0
54.396881103515625	136.0
54.67341995239258	156.0
54.91356658935547	152.0
55.56147003173828	164.0
55.626766204833984	144.0
55.894287109375	228.0
55.91660690307617	160.0
56.69573211669922	140.0
57.44196319580078	224.0
57.58082580566406	152.0
57.7425422668457	340.0
58.072715759277344	184.0
58.14706039428711	188.0
58.358211517333984	144.0
58.8106575012207	164.0
59.189796447753906	156.0
59.44732666015625	160.0
59.84390640258789	148.0
59.97176742553711	160.0
60.014930725097656	196.0
60.18620300292969	156.0
60.405662536621094	176.0
60.61518859863281	224.0
60.73714828491211	144.0
60.9109992980957	164.0
61.37321853637695	184.0
61.384132385253906	140.0
62.241641998291016	156.0
62.37234115600586	124.0
62.680320739746094	172.0
62.822532653808594	96.0
62.83817672729492	196.0
63.25222396850586	192.0
63.505699157714844	148.0
63.54222869873047	156.0
63.592933654785156	172.0
63.915611267089844	196.0
64.08917236328125	232.0
64.43219757080078	144.0
64.72106170654297	172.0
64.80818939208984	140.0
64.98776245117188	164.0
65.05013275146484	124.0
65.16116333007812	160.0
65.60211944580078	152.0
65.92816162109375	176.0
66.17079162597656	148.0
66.34252166748047	156.0
66.40737915039062	160.0
66.51122283935547	140.0
66.6689453125	164.0
66.90786743164062	140.0
66.97911834716797	128.0
67.08869934082031	172.0
67.54757690429688	180.0
67.99816131591797	140.0
68.14759826660156	148.0
68.73377227783203	156.0
68.7964859008789	152.0
69.18732452392578	164.0
69.33533477783203	140.0
69.48992919921875	220.0
69.9020004272461	140.0
70.64745330810547	96.0
70.68963623046875	148.0
70.81854248046875	196.0
71.03141784667969	188.0
71.61131286621094	160.0
71.66960906982422	112.0
71.73262786865234	140.0
72.1107177734375	152.0
72.42543029785156	144.0
72.52030944824219	156.0
72.66275787353516	176.0
72.67972564697266	148.0
72.81723022460938	140.0
72.84609985351562	140.0
73.30718231201172	164.0
73.62789916992188	144.0
74.0160903930664	164.0
74.04862213134766	152.0
74.10851287841797	100.0
74.17027282714844	236.0
74.18399047851562	176.0
74.19770050048828	160.0
74.58738708496094	144.0
75.46833038330078	140.0
75.53750610351562	184.0
75.9092025756836	216.0
76.08737182617188	176.0
76.2640380859375	140.0
76.35420989990234	172.0
76.39793395996094	208.0
76.49251556396484	148.0
77.09188079833984	152.0
77.12158966064453	156.0
77.14781188964844	160.0
77.27373504638672	156.0
77.95581817626953	144.0
78.00724792480469	108.0
78.16683959960938	144.0
78.35699462890625	180.0
78.39399719238281	176.0
78.47508239746094	140.0
78.65679168701172	168.0
78.85991668701172	152.0
79.00668334960938	280.0
79.04383850097656	168.0
79.88658905029297	176.0
80.02362823486328	164.0
80.05745697021484	164.0
80.36762237548828	196.0
80.57115173339844	144.0
80.83040618896484	152.0
80.93726348876953	132.0
81.2981185913086	200.0
81.35914611816406	140.0
81.38787078857422	204.0
81.40839385986328	252.0
81.81097412109375	120.0
82.11681365966797	184.0
82.41455078125	152.0
82.76545715332031	272.0
82.8632583618164	180.0
83.3041000366211	180.0
83.64835357666016	176.0
83.7005844116211	188.0
83.81072998046875	128.0
83.8955307006836	144.0
83.9903564453125	240.0
84.4151611328125	220.0
84.53845977783203	152.0
84.72746276855469	144.0
85.27281951904297	164.0
85.36688232421875	128.0
85.59381866455078	148.0
86.1712875366211	184.0
86.2378158569336	180.0
86.43384552001953	148.0
86.80929565429688	140.0
86.8250503540039	228.0
87.419189453125	148.0
87.54391479492188	176.0
87.62959289550781	172.0
88.03062438964844	184.0
88.07918548583984	200.0
88.25859832763672	168.0
88.8316879272461	164.0
88.94427490234375	164.0
89.2166519165039	216.0
89.43297576904297	168.0
89.55924224853516	136.0
89.80792999267578	140.0
89.84188079833984	224.0
89.91169738769531	184.0
90.00230407714844	156.0
90.12214660644531	144.0
90.18366241455078	156.0
90.20067596435547	160.0
90.25928497314453	204.0
90.39736938476562	160.0
90.4404067993164	200.0
91.02671813964844	180.0
91.20339965820312	220.0
91.54776000976562	140.0
91.59537506103516	288.0
91.62394714355469	176.0
91.87090301513672	132.0
92.1903076171875	160.0
92.21548461914062	140.0
92.24415588378906	160.0
92.301513671875	180.0
92.6172866821289	156.0
92.65177154541016	140.0
93.06145477294922	124.0
93.15608215332031	172.0
93.20367431640625	116.0
93.25814819335938	168.0
93.48892974853516	156.0
94.0616683959961	100.0
94.10382843017578	148.0
94.1656265258789	296.0
94.248046875	312.0
94.44781494140625	200.0
94.90431213378906	168.0
94.947509765625	176.0
95.08719635009766	144.0
95.46991729736328	176.0
95.5457763671875	208.0
95.74431610107422	140.0
95.77937316894531	140.0
95.95671081542969	228.0
96.02301025390625	188.0
96.08269500732422	300.0
96.11274719238281	212.0
96.15936279296875	160.0
96.50338745117188	160.0
96.51707458496094	144.0
96.60338592529297	184.0
96.76751708984375	156.0
96.95752716064453	192.0
97.04181671142578	216.0
97.28901672363281	188.0
97.54045867919922	224.0
97.57146453857422	124.0
97.62996673583984	160.0
97.78238677978516	140.0
97.82568359375	160.0
98.00885009765625	140.0
98.0657958984375	156.0
98.09681701660156	24452.0
98.13673400878906	152.0
98.26025390625	196.0
98.50996398925781	156.0
98.6522445678711	188.0
98.67070007324219	120.0
98.9094009399414	160.0
98.97467803955078	136.0
99.01631927490234	140.0
99.09934997558594	2028.0
99.15302276611328	152.0
99.26188659667969	96.0
99.29576110839844	152.0
99.55177307128906	232.0
99.66632080078125	216.0
99.70548248291016	108.0
99.8069076538086	132.0
99.98628997802734	224.0
100.04287719726562	184.0
100.15040588378906	152.0
100.23606872558594	176.0
100.38756561279297	208.0
100.51437377929688	196.0
100.73412322998047	140.0
100.77281188964844	204.0
101.92692565917969	140.0
102.15009307861328	152.0
102.54071044921875	184.0
102.64352416992188	184.0
102.87554168701172	176.0
102.89169311523438	180.0
102.91390228271484	168.0
103.0747299194336	180.0
103.45297241210938	144.0
103.73731231689453	140.0
104.39921569824219	144.0
104.73299407958984	152.0
105.28162384033203	156.0
105.30817413330078	156.0
105.45626831054688	264.0
105.76924896240234	152.0
105.91920471191406	136.0
105.97900390625	104.0
106.0611343383789	336.0
106.1574935913086	176.0
106.95463562011719	220.0
107.07466888427734	364.0
108.08270263671875	472.0
108.40827178955078	120.0
108.66424560546875	128.0
108.90861511230469	224.0
108.9868392944336	104.0
109.03028869628906	176.0
109.14432525634766	160.0
109.19242858886719	116.0
109.23912048339844	160.0
109.3389892578125	148.0
109.52845764160156	148.0
109.77230072021484	188.0
110.09659576416016	544.0
110.57567596435547	136.0
110.5954360961914	192.0
110.95154571533203	156.0
110.974609375	160.0
111.35863494873047	224.0
111.65496826171875	156.0
112.0949478149414	160.0
112.1897964477539	144.0
112.45767974853516	160.0
112.69906616210938	132.0
112.79986572265625	200.0
113.43702697753906	176.0
113.50487518310547	260.0
113.5281982421875	216.0
113.71064758300781	176.0
114.130859375	148.0
114.21420288085938	152.0
114.3895492553711	148.0
114.4546890258789	152.0
114.48628234863281	148.0
114.54839324951172	256.0
114.60514068603516	216.0
114.83614349365234	152.0
115.05482482910156	176.0
115.32508087158203	220.0
115.48330688476562	172.0
115.57145690917969	96.0
115.60311126708984	140.0
115.81934356689453	200.0
116.02720642089844	192.0
116.15802001953125	172.0
116.26744079589844	196.0
116.53156280517578	180.0
116.65406036376953	196.0
116.68415832519531	152.0
116.8282470703125	156.0
117.01763153076172	140.0
117.2272720336914	132.0
117.5811767578125	140.0
117.7335205078125	204.0
117.82279205322266	316.0
117.98848724365234	140.0
118.06080627441406	276.0
118.15717315673828	144.0
118.64662170410156	256.0
118.98723602294922	196.0
119.06863403320312	168.0
119.44576263427734	148.0
119.89360809326172	208.0
120.08177185058594	152.0
120.6429443359375	148.0
120.74352264404297	148.0
120.8747787475586	212.0
120.98202514648438	148.0
121.06523132324219	144.0
121.09036254882812	176.0
121.12874603271484	248.0
121.14408111572266	152.0
121.3347396850586	160.0
121.5650405883789	148.0
122.05489349365234	156.0
122.09785461425781	376.0
122.14945983886719	212.0
122.23746490478516	192.0
122.67355346679688	148.0
123.0530014038086	176.0
123.10492706298828	140.0
123.1501693725586	160.0
123.79595184326172	152.0
123.90226745605469	148.0
124.11363220214844	240.0
124.3923568725586	140.0
124.4234390258789	168.0
124.67154693603516	120.0
124.94792938232422	156.0
124.97240447998047	168.0
125.22454833984375	120.0
125.49079132080078	172.0
125.82825469970703	160.0
125.87290954589844	164.0
126.00211334228516	104.0
126.2170181274414	140.0
126.3087158203125	148.0
127.05692291259766	140.0
127.15789794921875	140.0
127.30606842041016	152.0
127.67434692382812	164.0
127.71060180664062	260.0
127.77359008789062	164.0
127.82209014892578	144.0
128.0591583251953	228.0
128.2329559326172	188.0
128.31185913085938	168.0
128.5444793701172	116.0
128.9145050048828	156.0
129.07110595703125	232.0
129.24464416503906	168.0
129.41213989257812	168.0
129.49366760253906	172.0
129.51858520507812	148.0
129.69190979003906	120.0
129.70892333984375	164.0
129.8177490234375	180.0
130.04234313964844	144.0
130.06524658203125	3408.0
130.12632751464844	144.0
130.786865234375	128.0
131.02696228027344	180.0
131.05029296875	228.0
131.07156372070312	952.0
131.3597869873047	176.0
131.68618774414062	188.0
131.72959899902344	148.0
132.0826873779297	196.0
132.19830322265625	200.0
132.25030517578125	116.0
132.2783966064453	204.0
132.42494201660156	184.0
132.56591796875	128.0
132.94766235351562	156.0
133.0119171142578	152.0
133.0279998779297	232.0
133.04876708984375	164.0
133.08998107910156	168.0
133.37646484375	160.0
133.39222717285156	136.0
133.68533325195312	156.0
133.9132537841797	176.0
134.0945587158203	316.0
135.04364013671875	376.0
135.12747192382812	152.0
135.1598663330078	180.0
135.65084838867188	172.0
135.8131561279297	176.0
136.0475311279297	144.0
136.11074829101562	140.0
136.13807678222656	140.0
136.40689086914062	120.0
136.60240173339844	140.0
136.714599609375	152.0
136.83905029296875	148.0
136.89443969726562	144.0
136.93577575683594	144.0
137.0349578857422	124.0
137.0569610595703	196.0
137.07554626464844	140.0
137.12449645996094	144.0
137.16644287109375	176.0
137.3599853515625	164.0
137.4229736328125	172.0
137.76870727539062	136.0
137.79302978515625	160.0
138.0302734375	140.0
138.05599975585938	180.0
138.1284942626953	224.0
138.37139892578125	136.0
138.65061950683594	192.0
138.71389770507812	160.0
139.05870056152344	180.0
139.36398315429688	192.0
139.4596405029297	136.0
139.7237091064453	184.0
139.8716583251953	160.0
140.10890197753906	660.0
140.2653350830078	156.0
140.31483459472656	164.0
140.6875762939453	176.0
141.06980895996094	172.0
141.23106384277344	164.0
141.95578002929688	228.0
142.0734405517578	164.0
142.12042236328125	276.0
142.8535614013672	144.0
142.94873046875	152.0
143.07456970214844	356.0
143.18470764160156	124.0
143.6079864501953	116.0
143.670654296875	148.0
143.77899169921875	100.0
143.98573303222656	152.0
144.04306030273438	288.0
144.0806884765625	1828.0
144.5092315673828	176.0
145.06959533691406	236.0
145.08375549316406	596.0
145.2039031982422	96.0
145.7800750732422	168.0
145.837158203125	212.0
146.06884765625	188.0
146.51393127441406	224.0
146.55970764160156	152.0
146.73565673828125	192.0
146.87069702148438	148.0
146.96546936035156	156.0
147.02027893066406	184.0
147.04469299316406	532.0
147.0815887451172	280.0
147.33619689941406	124.0
147.99685668945312	180.0
148.0505828857422	360.0
148.10826110839844	160.0
148.13389587402344	128.0
148.75326538085938	140.0
148.77996826171875	140.0
149.05911254882812	184.0
149.1160430908203	220.0
149.5334930419922	160.0
149.93853759765625	168.0
150.07672119140625	176.0
150.14208984375	176.0
150.2645263671875	216.0
150.38897705078125	148.0
150.71865844726562	164.0
150.81716918945312	116.0
150.9313201904297	140.0
151.1294403076172	144.0
151.68023681640625	132.0
151.8601837158203	120.0
152.10972595214844	184.0
152.28773498535156	152.0
153.10549926757812	140.0
153.6058349609375	144.0
153.8060302734375	152.0
153.87945556640625	160.0
154.06484985351562	872.0
154.2873992919922	196.0
154.38571166992188	100.0
155.0728302001953	792.0
155.15884399414062	156.0
155.29522705078125	152.0
155.4217529296875	180.0
155.5644073486328	116.0
155.63272094726562	152.0
155.92337036132812	156.0
156.04150390625	184.0
156.08087158203125	2056.0
156.13717651367188	156.0
156.30633544921875	192.0
156.45367431640625	120.0
156.53285217285156	200.0
156.7570343017578	212.0
157.018798828125	172.0
157.0598602294922	164.0
157.08465576171875	284.0
157.2903594970703	148.0
157.56234741210938	164.0
158.01797485351562	208.0
158.09774780273438	268.0
158.12057495117188	304.0
158.2967529296875	160.0
158.34840393066406	160.0
158.5654296875	160.0
159.0554656982422	184.0
159.07937622070312	132.0
159.26156616210938	144.0
159.74649047851562	156.0
160.10983276367188	144.0
160.23487854003906	140.0
160.59030151367188	168.0
160.73507690429688	104.0
160.8538818359375	172.0
161.05503845214844	664.0
161.424072265625	136.0
161.52456665039062	100.0
161.60020446777344	200.0
161.68173217773438	144.0
161.96939086914062	124.0
162.05540466308594	564.0
162.09197998046875	456.0
162.1227569580078	136.0
162.1705322265625	152.0
162.86148071289062	100.0
163.0512237548828	160.0
163.2169189453125	156.0
163.28765869140625	164.0
163.35888671875	148.0
163.5740509033203	144.0
164.03623962402344	280.0
164.07447814941406	396.0
165.10093688964844	176.0
165.2427978515625	96.0
165.85108947753906	152.0
166.0661163330078	116.0
166.0776824951172	224.0
166.2945098876953	100.0
166.44175720214844	216.0
166.55612182617188	336.0
166.7596893310547	192.0
167.07350158691406	984.0
167.53421020507812	148.0
167.88174438476562	192.0
168.05227661132812	148.0
168.08023071289062	1556.0
168.2381134033203	160.0
168.4591522216797	168.0
169.0673065185547	416.0
169.08343505859375	488.0
169.19735717773438	140.0
169.44598388671875	212.0
169.47938537597656	148.0
169.85557556152344	144.0
169.93080139160156	144.0
170.0619354248047	396.0
170.09515380859375	256.0
170.18775939941406	148.0
170.2110137939453	160.0
170.38253784179688	148.0
170.44293212890625	116.0
170.72564697265625	176.0
171.04014587402344	132.0
171.04638671875	116.0
171.08143615722656	232.0
171.19667053222656	144.0
171.2753143310547	144.0
171.49729919433594	112.0
171.56405639648438	152.0
171.6057586669922	172.0
171.88746643066406	160.0
171.9448699951172	212.0
171.9996795654297	144.0
172.0840301513672	144.0
172.69277954101562	200.0
173.05934143066406	364.0
173.30465698242188	164.0
173.59603881835938	200.0
174.05587768554688	308.0
174.09071350097656	276.0
174.6619110107422	196.0
175.05667114257812	556.0
175.87686157226562	208.0
175.94261169433594	180.0
176.07318115234375	256.0
176.21163940429688	152.0
176.5186004638672	188.0
176.5476837158203	220.0
176.8755340576172	96.0
176.95516967773438	168.0
177.10829162597656	132.0
177.42572021484375	184.0
177.45388793945312	240.0
177.9839324951172	156.0
178.0860137939453	144.0
178.4462432861328	160.0
178.7760772705078	192.0
179.13584899902344	156.0
179.1793670654297	164.0
179.59397888183594	156.0
179.69456481933594	164.0
179.9035186767578	152.0
180.08102416992188	3144.0
180.28761291503906	276.0
180.79624938964844	200.0
181.08871459960938	304.0
181.2233123779297	148.0
182.05857849121094	596.0
182.0946044921875	2048.0
182.1367950439453	156.0
182.38937377929688	172.0
182.5581512451172	160.0
182.617919921875	160.0
182.67709350585938	160.0
182.75242614746094	140.0
182.9112091064453	184.0
183.07005310058594	448.0
183.10076904296875	708.0
183.4544677734375	164.0
183.56858825683594	268.0
183.70713806152344	140.0
184.07752990722656	340.0
184.1127471923828	380.0
184.17312622070312	212.0
184.30047607421875	172.0
184.49107360839844	176.0
184.5342559814453	168.0
184.60397338867188	172.0
184.95155334472656	232.0
185.05821228027344	472.0
185.08163452148438	172.0
185.1151123046875	156.0
185.16810607910156	160.0
185.18887329101562	124.0
185.39601135253906	156.0
185.44207763671875	188.0
185.72018432617188	100.0
185.9047393798828	152.0
185.97911071777344	152.0
186.06153869628906	112.0
186.09536743164062	204.0
186.1239013671875	168.0
186.24929809570312	156.0
186.48260498046875	120.0
186.76295471191406	140.0
186.85684204101562	252.0
186.92214965820312	164.0
187.07302856445312	296.0
187.22976684570312	200.0
187.37139892578125	144.0
187.9030303955078	160.0
187.93850708007812	164.0
188.0707550048828	560.0
188.10662841796875	148.0
188.2400360107422	172.0
188.26528930664062	140.0
188.50372314453125	208.0
188.67318725585938	176.0
188.79537963867188	352.0
188.87347412109375	180.0
188.95761108398438	152.0
189.07391357421875	208.0
189.09307861328125	252.0
189.19845581054688	160.0
189.23951721191406	140.0
189.56930541992188	120.0
189.64166259765625	220.0
189.99427795410156	212.0
190.04258728027344	156.0
190.09059143066406	136.0
190.09886169433594	156.0
190.15234375	152.0
190.28834533691406	140.0
190.6521759033203	168.0
190.95733642578125	216.0
190.97659301757812	160.0
191.07080078125	412.0
191.19393920898438	212.0
191.35421752929688	140.0
191.73922729492188	184.0
191.9790802001953	184.0
192.08021545410156	392.0
192.13905334472656	204.0
192.6470184326172	220.0
192.67739868164062	148.0
192.74647521972656	140.0
192.8069305419922	128.0
193.09303283691406	128.0
193.23974609375	120.0
193.8921356201172	208.0
193.98081970214844	212.0
194.05917358398438	292.0
194.09617614746094	4192.0
194.16659545898438	164.0
194.33053588867188	120.0
194.57005310058594	208.0
194.68919372558594	208.0
194.7263946533203	144.0
194.98544311523438	152.0
195.07632446289062	180.0
195.10125732421875	972.0
195.1458282470703	168.0
195.4054718017578	152.0
195.43231201171875	180.0
195.68936157226562	236.0
195.79795837402344	172.0
195.9400177001953	148.0
196.072998046875	228.0
196.10552978515625	188.0
196.25125122070312	216.0
196.52830505371094	176.0
196.58689880371094	168.0
196.76658630371094	192.0
196.80462646484375	160.0
196.90235900878906	196.0
197.06063842773438	688.0
197.09767150878906	236.0
197.23764038085938	156.0
197.4126434326172	216.0
197.5088653564453	172.0
197.52914428710938	144.0
197.6034393310547	104.0
197.6608123779297	128.0
197.74737548828125	248.0
197.92457580566406	148.0
197.9846649169922	152.0
198.05593872070312	552.0
198.12594604492188	152.0
198.3348846435547	168.0
198.49200439453125	168.0
198.6870880126953	100.0
198.83412170410156	184.0
198.859375	164.0
198.9835205078125	180.0
199.01377868652344	144.0
199.06175231933594	492.0
199.10060119628906	152.0
199.4913787841797	152.0
199.75289916992188	160.0
199.7854461669922	196.0
199.88165283203125	172.0
199.97518920898438	156.0
200.06849670410156	396.0
200.1061553955078	356.0
200.1412811279297	144.0
200.3102569580078	180.0
200.5441131591797	156.0
200.59767150878906	196.0
200.63150024414062	292.0
200.9360809326172	204.0
201.0235595703125	192.0
201.0655517578125	140.0
201.09136962890625	592.0
201.12786865234375	204.0
201.21478271484375	112.0
201.51345825195312	96.0
202.08543395996094	456.0
202.12277221679688	188.0
202.18067932128906	120.0
202.35203552246094	148.0
202.5097198486328	192.0
202.57835388183594	96.0
202.6579132080078	216.0
202.6805877685547	160.0
202.7514190673828	184.0
202.89315795898438	140.0
203.0009002685547	236.0
203.02574157714844	152.0
203.0849151611328	148.0
203.66783142089844	100.0
203.82693481445312	140.0
203.9093475341797	144.0
204.0543212890625	156.0
204.0794677734375	284.0
204.10369873046875	584.0
204.20217895507812	140.0
204.2714385986328	160.0
204.42408752441406	264.0
204.82382202148438	108.0
204.852294921875	180.0
205.0878448486328	444.0
205.39559936523438	156.0
205.54110717773438	168.0
206.01016235351562	152.0
206.0858612060547	384.0
206.18280029296875	152.0
206.38658142089844	144.0
206.41114807128906	196.0
206.45521545410156	168.0
206.48744201660156	200.0
206.55149841308594	156.0
206.8843994140625	140.0
207.08859252929688	332.0
207.38963317871094	136.0
207.53187561035156	164.0
207.56341552734375	144.0
208.0482940673828	148.0
208.07579040527344	284.0
208.1116180419922	588.0
208.56716918945312	164.0
208.59341430664062	168.0
208.71949768066406	156.0
209.06507873535156	176.0
209.10107421875	108.0
209.45433044433594	160.0
209.5990447998047	252.0
209.65692138671875	180.0
209.88388061523438	140.0
209.93142700195312	180.0
209.95718383789062	180.0
210.0561065673828	2184.0
210.0888214111328	292.0
210.11114501953125	356.0
210.13107299804688	120.0
210.25827026367188	132.0
210.42919921875	156.0
210.8191375732422	144.0
211.06378173828125	1964.0
211.09622192382812	188.0
211.12347412109375	112.0
211.31842041015625	208.0
211.58245849609375	156.0
211.92640686035156	140.0
212.06893920898438	860.0
212.1085205078125	400.0
212.14625549316406	148.0
212.2672119140625	188.0
212.53048706054688	160.0
212.62045288085938	148.0
212.7655792236328	176.0
213.01821899414062	168.0
213.0768280029297	244.0
213.138671875	148.0
213.50942993164062	144.0
213.5530548095703	196.0
213.77415466308594	148.0
213.8214111328125	368.0
214.08543395996094	696.0
214.1178436279297	144.0
214.51129150390625	132.0
214.74429321289062	148.0
214.8142852783203	156.0
214.9724578857422	96.0
215.09033203125	260.0
215.17616271972656	140.0
215.31932067871094	156.0
215.5704803466797	112.0
215.5928192138672	240.0
215.99635314941406	96.0
216.10153198242188	2212.0
216.18606567382812	152.0
216.28701782226562	156.0
216.518310546875	184.0
216.56224060058594	152.0
217.06143188476562	132.0
217.10205078125	348.0
217.13963317871094	172.0
217.16896057128906	156.0
217.23348999023438	168.0
217.36924743652344	176.0
217.45114135742188	168.0
217.65191650390625	160.0
217.83526611328125	168.0
217.95310974121094	108.0
218.0881805419922	624.0
218.18202209472656	144.0
218.41433715820312	168.0
218.4378662109375	144.0
218.64088439941406	180.0
218.87049865722656	236.0
218.9723663330078	144.0
219.09280395507812	1872.0
219.17977905273438	144.0
219.45388793945312	180.0
219.5135955810547	260.0
219.5662078857422	140.0
219.6101837158203	176.0
219.67953491210938	96.0
219.7812957763672	176.0
219.84620666503906	144.0
219.89395141601562	136.0
220.01556396484375	160.0
220.10406494140625	240.0
220.59983825683594	152.0
220.652587890625	140.0
221.10354614257812	268.0
221.14955139160156	220.0
221.2262725830078	156.0
221.29556274414062	172.0
221.42819213867188	176.0
221.53152465820312	200.0
221.68263244628906	156.0
221.8159942626953	140.0
222.04727172851562	176.0
222.10597229003906	276.0
222.17184448242188	168.0
222.23777770996094	144.0
222.31393432617188	144.0
222.36016845703125	120.0
222.56658935546875	156.0
222.97576904296875	140.0
223.0795440673828	164.0
223.1234893798828	436.0
223.30355834960938	140.0
223.76480102539062	168.0
223.81838989257812	164.0
223.89247131347656	132.0
224.06143188476562	156.0
224.10464477539062	124.0
224.1443328857422	932.0
224.19285583496094	180.0
224.4104461669922	116.0
224.4552764892578	124.0
224.50643920898438	132.0
224.581298828125	196.0
224.61557006835938	196.0
224.70327758789062	148.0
224.85877990722656	168.0
225.07940673828125	388.0
225.14895629882812	432.0
225.18719482421875	140.0
225.36941528320312	148.0
225.5912628173828	156.0
225.77894592285156	172.0
225.8716583251953	176.0
226.08685302734375	372.0
226.1206512451172	948.0
226.19482421875	184.0
226.5456085205078	168.0
226.61280822753906	168.0
227.02174377441406	184.0
227.08251953125	196.0
227.12281799316406	576.0
227.19871520996094	184.0
227.51222229003906	136.0
227.912109375	192.0
228.07276916503906	136.0
228.10122680664062	552.0
228.22637939453125	192.0
228.56138610839844	160.0
228.60186767578125	156.0
228.69515991210938	148.0
228.78546142578125	188.0
228.98419189453125	320.0
229.09686279296875	128.0
229.95382690429688	132.0
230.04782104492188	128.0
230.1143341064453	1124.0
230.5650634765625	164.0
230.5891876220703	188.0
230.60073852539062	184.0
230.85020446777344	112.0
231.10067749023438	324.0
231.29603576660156	176.0
231.41204833984375	144.0
231.5059051513672	160.0
231.57652282714844	140.0
231.62022399902344	172.0
232.06622314453125	120.0
232.10670471191406	120.0
232.24842834472656	204.0
232.39801025390625	132.0
232.46383666992188	144.0
232.5761260986328	140.0
232.61135864257812	152.0
232.64126586914062	224.0
232.9405059814453	184.0
232.97695922851562	156.0
233.0808868408203	152.0
233.10777282714844	340.0
233.42678833007812	224.0
233.92071533203125	116.0
233.958740234375	148.0
234.05287170410156	132.0
234.09027099609375	468.0
234.1273651123047	736.0
234.56146240234375	196.0
234.63861083984375	204.0
234.77581787109375	192.0
234.89781188964844	208.0
234.9862823486328	180.0
235.1337890625	352.0
235.3079071044922	148.0
235.4820556640625	200.0
235.53172302246094	184.0
235.56021118164062	144.0
235.67019653320312	164.0
235.71673583984375	164.0
236.0693817138672	192.0
236.1065216064453	1348.0
236.13076782226562	344.0
236.6948699951172	152.0
237.0858612060547	332.0
237.11532592773438	284.0
237.1391143798828	960.0
237.23800659179688	136.0
237.4241943359375	152.0
237.60133361816406	176.0
237.76165771484375	172.0
238.0868377685547	396.0
238.1237335205078	696.0
238.50491333007812	144.0
238.54795837402344	148.0
238.6066131591797	208.0
238.64633178710938	152.0
238.86468505859375	188.0
239.05677795410156	128.0
239.09780883789062	272.0
239.12033081054688	380.0
239.2493438720703	380.0
239.3971405029297	148.0
239.46038818359375	148.0
239.53929138183594	96.0
239.62945556640625	244.0
239.77920532226562	212.0
239.87469482421875	184.0
240.1009063720703	496.0
240.2046356201172	204.0
240.26632690429688	164.0
240.45127868652344	128.0
240.62969970703125	184.0
240.9578857421875	240.0
241.0903778076172	280.0
241.15728759765625	132.0
241.21437072753906	148.0
241.66201782226562	128.0
241.73829650878906	176.0
241.95372009277344	200.0
241.9970703125	152.0
242.03196716308594	192.0
242.09703063964844	1840.0
242.2001953125	176.0
242.28509521484375	144.0
242.54229736328125	148.0
242.82518005371094	184.0
243.10337829589844	704.0
243.20916748046875	156.0
243.2588348388672	140.0
243.28677368164062	168.0
243.56935119628906	140.0
243.60353088378906	172.0
243.9142608642578	144.0
244.03550720214844	140.0
244.1102294921875	1052.0
244.2687530517578	184.0
244.3060760498047	196.0
244.4398651123047	152.0
244.60169982910156	148.0
244.93487548828125	160.0
245.00030517578125	156.0
245.11788940429688	240.0
245.2028350830078	144.0
245.75477600097656	164.0
245.8889617919922	204.0
246.09933471679688	164.0
246.16127014160156	160.0
246.2295684814453	124.0
246.43536376953125	120.0
246.51809692382812	132.0
246.5447998046875	192.0
246.67138671875	200.0
246.71044921875	204.0
246.81675720214844	176.0
246.98062133789062	212.0
247.0980987548828	408.0
247.2108917236328	152.0
247.2544403076172	184.0
247.3079071044922	148.0
247.73175048828125	124.0
247.8935546875	192.0
247.98757934570312	176.0
248.06922912597656	308.0
248.1076202392578	632.0
248.89341735839844	176.0
248.9534149169922	104.0
249.07862854003906	172.0
249.11407470703125	376.0
249.13807678222656	408.0
249.6585235595703	136.0
249.77415466308594	144.0
250.08824157714844	592.0
250.14414978027344	340.0
250.24620056152344	164.0
250.49441528320312	128.0
250.62416076660156	164.0
250.6803436279297	108.0
250.7281494140625	208.0
250.92173767089844	136.0
251.0941162109375	1360.0
251.6116180419922	236.0
251.67567443847656	108.0
251.7553253173828	228.0
251.8564910888672	136.0
252.10145568847656	1048.0
252.1328582763672	488.0
252.27084350585938	116.0
252.4711151123047	124.0
252.59414672851562	180.0
252.62579345703125	152.0
252.6637420654297	168.0
252.69667053222656	128.0
253.10452270507812	1076.0
253.15118408203125	152.0
253.2145233154297	140.0
253.48062133789062	224.0
253.5364532470703	148.0
253.62562561035156	160.0
253.71200561523438	240.0
253.75840759277344	132.0
253.81846618652344	200.0
253.86737060546875	168.0
253.9892120361328	144.0
254.096923828125	22532.0
254.2871856689453	132.0
254.3822784423828	164.0
254.62901306152344	232.0
254.95431518554688	160.0
255.10198974609375	3368.0
255.2086944580078	124.0
255.4808807373047	156.0
255.52627563476562	176.0
255.6876983642578	180.0
255.71621704101562	104.0
255.75335693359375	152.0
255.90415954589844	148.0
256.0685119628906	176.0
256.10772705078125	1488.0
256.1736755371094	164.0
256.6004638671875	144.0
256.8241882324219	176.0
256.922119140625	224.0
257.083740234375	736.0
257.12030029296875	384.0
257.294189453125	164.0
257.3465576171875	260.0
257.5378723144531	136.0
257.6214599609375	124.0
257.7200012207031	136.0
257.764892578125	108.0
257.8244323730469	152.0
258.0906677246094	632.0
258.127197265625	140.0
258.62945556640625	220.0
258.7478942871094	160.0
258.8769226074219	172.0
259.0943908691406	388.0
259.12200927734375	500.0
259.33184814453125	184.0
259.4151916503906	180.0
259.4720458984375	256.0
259.6069641113281	188.0
259.6492614746094	204.0
259.68353271484375	124.0
259.97772216796875	104.0
260.06903076171875	200.0
260.1028137207031	240.0
260.134521484375	448.0
260.20294189453125	232.0
260.32958984375	144.0
260.60528564453125	116.0
260.7633056640625	160.0
260.81982421875	184.0
261.0140380859375	164.0
261.0755920410156	360.0
261.1380920410156	1128.0
261.2005920410156	172.0
261.5995788574219	148.0
262.09173583984375	252.0
262.14111328125	872.0
262.2828674316406	100.0
262.4068298339844	176.0
262.6379699707031	148.0
262.95013427734375	184.0
263.072265625	152.0
263.12066650390625	256.0
263.15130615234375	112.0
263.21160888671875	164.0
263.37384033203125	104.0
263.6185607910156	176.0
263.71685791015625	284.0
264.0977478027344	292.0
264.2750244140625	196.0
264.4886169433594	176.0
264.63720703125	152.0
264.74114990234375	148.0
264.8059387207031	184.0
265.01959228515625	180.0
265.1090087890625	1904.0
265.2303771972656	196.0
265.623291015625	164.0
265.76116943359375	148.0
265.81640625	140.0
265.9569396972656	208.0
265.98614501953125	248.0
266.1174011230469	8868.0
266.271240234375	124.0
266.3498229980469	196.0
266.6422424316406	356.0
266.81072998046875	120.0
267.0421447753906	152.0
267.1226806640625	2888.0
267.1885070800781	176.0
267.6322021484375	208.0
267.8212890625	208.0
268.0127868652344	120.0
268.1131896972656	4168.0
268.1775207519531	200.0
268.35894775390625	128.0
268.4145812988281	164.0
268.5478820800781	156.0
268.582763671875	144.0
268.62188720703125	188.0
269.08880615234375	516.0
269.1186218261719	1556.0
269.1767272949219	160.0
269.25030517578125	120.0
269.31146240234375	248.0
269.454345703125	144.0
269.6002502441406	164.0
269.64385986328125	160.0
269.6929016113281	224.0
270.0460205078125	144.0
270.0909729003906	4144.0
270.1246032714844	1228.0
270.3625793457031	184.0
270.6383361816406	156.0
270.7400817871094	172.0
270.7665100097656	152.0
270.842041015625	176.0
270.90673828125	172.0
271.0510559082031	172.0
271.0964660644531	2392.0
271.1895751953125	116.0
271.4060363769531	196.0
271.5198059082031	156.0
271.6814880371094	176.0
271.8675537109375	200.0
272.1081237792969	3240.0
272.4334411621094	148.0
272.6062316894531	124.0
272.7572937011719	200.0
272.7904968261719	144.0
272.9230651855469	200.0
273.0199279785156	144.0
273.0823059082031	896.0
273.10693359375	760.0
273.13690185546875	1856.0
273.2278747558594	156.0
273.311767578125	152.0
273.34222412109375	164.0
273.4989929199219	152.0
273.6030578613281	156.0
273.710205078125	116.0
273.8957214355469	128.0
274.05096435546875	248.0
274.0864562988281	2044.0
274.13909912109375	532.0
274.6126403808594	244.0
274.64434814453125	204.0
274.7466125488281	152.0
275.0911865234375	824.0
275.152099609375	1808.0
275.2680969238281	176.0
275.3415222167969	204.0
275.4866027832031	100.0
275.5798645019531	156.0
275.62152099609375	204.0
275.65557861328125	144.0
275.8912658691406	224.0
276.10076904296875	1040.0
276.1559143066406	692.0
276.2882995605469	168.0
276.5782470703125	164.0
276.61761474609375	180.0
276.82891845703125	172.0
277.1041564941406	468.0
277.1580810546875	136.0
277.235107421875	240.0
277.28472900390625	196.0
277.3782653808594	196.0
277.4737854003906	184.0
277.616455078125	140.0
277.8265686035156	164.0
278.02764892578125	140.0
278.09478759765625	800.0
278.16748046875	164.0
278.3443298339844	156.0
278.5435791015625	160.0
279.0597839355469	172.0
279.1038818359375	2460.0
279.1817321777344	140.0
279.2718505859375	124.0
279.329833984375	184.0
279.36846923828125	140.0
279.4734191894531	140.0
279.53692626953125	136.0
279.72918701171875	140.0
279.9619140625	144.0
280.03594970703125	228.0
280.11224365234375	28108.0
280.322998046875	120.0
280.4646911621094	112.0
280.6635437011719	144.0
280.81134033203125	148.0
280.9629211425781	156.0
281.11578369140625	6012.0
281.38006591796875	228.0
281.421630859375	152.0
281.5018615722656	104.0
281.5543212890625	140.0
281.6136169433594	160.0
281.66876220703125	224.0
281.7655944824219	160.0
281.8631896972656	168.0
281.9209289550781	184.0
281.9714050292969	260.0
282.0141296386719	240.0
282.0923767089844	87236.0
282.126220703125	1628.0
282.1794738769531	320.0
282.2801513671875	160.0
282.3502197265625	272.0
282.39947509765625	120.0
282.5023498535156	180.0
282.5384826660156	220.0
282.60870361328125	164.0
282.6348571777344	404.0
282.6788635253906	216.0
282.8097229003906	148.0
282.9333801269531	180.0
283.0267333984375	216.0
283.0955810546875	18908.0
283.18212890625	136.0
283.39703369140625	208.0
283.495849609375	104.0
283.5369873046875	96.0
283.57415771484375	268.0
283.63775634765625	192.0
283.7281494140625	264.0
283.8253479003906	176.0
283.9105224609375	200.0
283.97515869140625	232.0
284.1028747558594	3128.0
284.26275634765625	144.0
284.4708251953125	148.0
284.6646423339844	144.0
284.69525146484375	100.0
284.7586669921875	116.0
284.8377380371094	180.0
284.8704528808594	172.0
284.90008544921875	136.0
285.00079345703125	160.0
285.0404357910156	232.0
285.0791015625	1292.0
285.1107482910156	1960.0
285.1960754394531	168.0
285.2562255859375	100.0
285.2987060546875	184.0
285.6513671875	116.0
285.7542724609375	124.0
285.7916259765625	160.0
285.9508972167969	228.0
286.0856628417969	6948.0
286.1173400878906	1056.0
286.2022399902344	156.0
286.41778564453125	200.0
286.51824951171875	112.0
286.63153076171875	144.0
286.67047119140625	156.0
286.8726806640625	140.0
287.0555419921875	104.0
287.0948486328125	5884.0
287.1549987792969	456.0
287.204833984375	120.0
287.83087158203125	192.0
288.1007080078125	6776.0
288.15777587890625	528.0
288.2179260253906	136.0
288.5099792480469	140.0
288.6627502441406	192.0
288.73773193359375	168.0
288.9886474609375	112.0
289.1073303222656	1272.0
289.159912109375	136.0
289.260009765625	128.0
289.3470458984375	112.0
289.3906555175781	152.0
289.43829345703125	220.0
290.0145263671875	100.0
290.0597229003906	208.0
290.0986328125	1720.0
290.15869140625	160.0
290.1891784667969	188.0
290.2420349121094	116.0
290.5222473144531	192.0
290.626708984375	164.0
290.6742248535156	196.0
290.7100524902344	124.0
290.73870849609375	160.0
290.7760314941406	152.0
291.0284423828125	156.0
291.1045837402344	12024.0
291.2367248535156	132.0
291.32525634765625	96.0
291.4076232910156	144.0
291.6476135253906	180.0
291.69989013671875	232.0
292.004150390625	140.0
292.10821533203125	1932.0
292.21875	176.0
292.2764587402344	132.0
292.560546875	156.0
292.60821533203125	164.0
292.90618896484375	112.0
293.1090393066406	464.0
293.1584777832031	264.0
293.33233642578125	100.0
293.3798828125	152.0
293.45416259765625	112.0
293.9229431152344	208.0
294.0899963378906	1348.0
294.126220703125	412.0
294.2105407714844	140.0
294.2992858886719	148.0
294.552490234375	144.0
294.7772521972656	112.0
294.89056396484375	144.0
295.1211853027344	1744.0
295.19549560546875	216.0
295.4324645996094	96.0
295.5072326660156	96.0
295.6059265136719	168.0
295.8897705078125	144.0
296.053466796875	320.0
296.10650634765625	6536.0
296.2099609375	116.0
296.2384338378906	136.0
296.4248046875	156.0
296.9856872558594	140.0
297.0371398925781	168.0
297.1124572753906	2488.0
297.3287658691406	148.0
297.6566162109375	104.0
297.7785339355469	184.0
298.01556396484375	180.0
298.0894775390625	2856.0
298.1211853027344	4784.0
298.2515869140625	128.0
298.3427429199219	160.0
298.6374206542969	120.0
298.7498474121094	192.0
298.8391418457031	96.0
298.9264831542969	176.0
299.0500183105469	108.0
299.0943908691406	15032.0
299.30438232421875	240.0
299.39813232421875	292.0
299.5313415527344	152.0
299.61639404296875	148.0
299.6575012207031	244.0
299.6989440917969	140.0
299.74395751953125	204.0
299.77972412109375	108.0
299.7884216308594	144.0
299.828369140625	176.0
299.9269104003906	144.0
300.0041809082031	160.0
300.0504455566406	220.0
300.1031494140625	133068.0
300.2038879394531	176.0
300.26513671875	164.0
300.3690185546875	216.0
300.4076232910156	204.0
300.4317626953125	268.0
300.4941711425781	204.0
300.5243225097656	156.0
300.6175231933594	208.0
300.66851806640625	144.0
300.717529296875	272.0
300.88641357421875	172.0
300.9472351074219	128.0
301.005126953125	148.0
301.1056823730469	27500.0
301.41375732421875	156.0
301.5838317871094	120.0
301.8441162109375	136.0
301.951416015625	120.0
302.0683898925781	156.0
302.11065673828125	3996.0
302.3205871582031	200.0
302.40325927734375	208.0
302.5810852050781	136.0
302.68096923828125	140.0
302.73004150390625	164.0
302.7967529296875	144.0
303.11883544921875	884.0
303.2281494140625	152.0
303.2918701171875	196.0
303.3207702636719	188.0
303.3539733886719	128.0
303.39739990234375	108.0
303.6180419921875	144.0
303.6586608886719	140.0
303.71514892578125	156.0
303.8947448730469	176.0
304.0378112792969	152.0
304.120361328125	228.0
304.3719482421875	156.0
304.5014953613281	100.0
304.5968017578125	148.0
305.1153869628906	360.0
305.1632385253906	504.0
305.4431457519531	132.0
305.66064453125	368.0
305.7486267089844	288.0
305.9147033691406	164.0
306.03070068359375	128.0
306.09033203125	968.0
306.17791748046875	128.0
306.3848571777344	160.0
306.4371032714844	144.0
306.9031677246094	164.0
306.97174072265625	140.0
307.047119140625	164.0
307.0996398925781	6812.0
307.437744140625	148.0
307.5154724121094	116.0
307.6415100097656	100.0
307.8143310546875	136.0
307.8800354003906	216.0
307.9897155761719	168.0
308.0497131347656	216.0
308.1072692871094	50904.0
308.1803283691406	252.0
308.2214050292969	124.0
308.2920837402344	124.0
308.35791015625	168.0
308.4208679199219	164.0
308.7226257324219	144.0
308.76776123046875	112.0
308.82720947265625	112.0
308.9308776855469	184.0
309.01318359375	164.0
309.0531921386719	112.0
309.1099548339844	11640.0
309.2148742675781	116.0
309.2545166015625	124.0
309.2884216308594	172.0
309.3821716308594	148.0
309.7545471191406	104.0
309.87274169921875	104.0
309.994140625	236.0
310.0221862792969	160.0
310.0896301269531	1672.0
310.1217956542969	3788.0
310.2348327636719	172.0
310.2837219238281	124.0
310.3153991699219	104.0
310.36920166015625	104.0
310.4288330078125	200.0
310.5711364746094	152.0
310.7977294921875	144.0
310.8729248046875	120.0
310.9214782714844	164.0
311.093505859375	952.0
311.1240539550781	1232.0
311.20513916015625	256.0
311.25213623046875	192.0
311.3647155761719	160.0
311.5178527832031	112.0
311.721923828125	140.0
311.85418701171875	180.0
311.9349060058594	136.0
311.98175048828125	136.0
312.1012878417969	6020.0
312.1916809082031	216.0
312.38079833984375	132.0
312.9256896972656	112.0
313.0115966796875	192.0
313.0621337890625	180.0
313.10797119140625	13236.0
313.1871032714844	96.0
313.23956298828125	104.0
313.4092712402344	120.0
313.44671630859375	264.0
313.61541748046875	272.0
313.7479553222656	184.0
313.80084228515625	244.0
313.86346435546875	180.0
313.95599365234375	140.0
314.1162109375	14476.0
314.1777648925781	300.0
314.3383483886719	116.0
314.5826110839844	140.0
314.7746887207031	144.0
314.8205871582031	148.0
315.1207275390625	5012.0
315.19354248046875	288.0
315.2223815917969	108.0
315.36968994140625	104.0
315.50958251953125	368.0
315.8265380859375	140.0
315.89654541015625	144.0
316.078369140625	172.0
316.13153076171875	2384.0
316.4271240234375	104.0
316.6324157714844	124.0
316.7397155761719	128.0
316.9075622558594	232.0
317.09539794921875	148.0
317.1329040527344	488.0
317.3568115234375	112.0
317.4281311035156	172.0
317.65631103515625	140.0
317.7392578125	144.0
317.7904052734375	184.0
318.0465087890625	168.0
318.0986022949219	172.0
318.1478271484375	276.0
318.3619079589844	168.0
318.7633056640625	156.0
318.93988037109375	100.0
319.0892028808594	140.0
319.1352233886719	268.0
319.3214416503906	152.0
319.4261779785156	228.0
319.4708557128906	152.0
319.5206604003906	140.0
319.591796875	144.0
319.7021179199219	152.0
319.8858947753906	184.0
320.0652160644531	152.0
320.1056823730469	284.0
320.1427917480469	132.0
320.23486328125	144.0
320.7848815917969	152.0
321.0344543457031	144.0
321.1173095703125	376.0
321.33160400390625	184.0
321.3547058105469	260.0
321.3841857910156	160.0
321.4568786621094	144.0
321.5242919921875	144.0
321.6781921386719	320.0
321.7434387207031	236.0
321.81231689453125	140.0
321.9980163574219	152.0
322.088623046875	1092.0
322.1232604980469	824.0
322.37164306640625	144.0
322.55181884765625	256.0
322.7745056152344	180.0
322.8557434082031	152.0
322.90936279296875	144.0
323.1184997558594	3200.0
323.1806640625	244.0
323.2445983886719	108.0
323.6141052246094	204.0
324.1056823730469	1568.0
324.2824401855469	128.0
324.3774108886719	144.0
324.6620178222656	356.0
324.8794250488281	140.0
325.1130065917969	5792.0
325.29571533203125	308.0
325.4213562011719	204.0
325.5054626464844	116.0
325.7470703125	224.0
325.9046325683594	108.0
326.0068664550781	188.0
326.1178894042969	24004.0
326.4371032714844	116.0
326.5115051269531	168.0
326.5716857910156	144.0
326.6678161621094	96.0
326.7591552734375	124.0
326.9620056152344	160.0
327.0277099609375	300.0
327.0570373535156	120.0
327.1166076660156	12360.0
327.3056640625	200.0
327.3486328125	160.0
327.4999084472656	156.0
327.692626953125	128.0
327.8865051269531	208.0
327.925048828125	156.0
328.1294860839844	5872.0
328.2862854003906	100.0
328.33111572265625	164.0
328.5361022949219	124.0
328.6208801269531	156.0
328.6983947753906	108.0
328.93438720703125	148.0
329.13720703125	1768.0
329.22564697265625	120.0
329.3680114746094	148.0
329.65838623046875	204.0
329.7922668457031	132.0
329.89947509765625	208.0
329.9703674316406	112.0
330.14215087890625	284.0
330.46728515625	164.0
330.8128356933594	176.0
330.9776306152344	184.0
331.02471923828125	184.0
331.0655212402344	152.0
331.1382141113281	220.0
331.2152099609375	100.0
331.5360107421875	164.0
331.86895751953125	168.0
331.926513671875	120.0
332.1096496582031	196.0
332.1825256347656	236.0
332.26068115234375	184.0
332.3985290527344	148.0
332.74542236328125	196.0
333.1092224121094	128.0
333.1900634765625	160.0
333.2278137207031	136.0
333.26727294921875	144.0
333.40081787109375	156.0
333.7823181152344	168.0
333.99017333984375	112.0
334.123779296875	532.0
334.1555480957031	288.0
334.5415344238281	160.0
334.6339111328125	140.0
334.70672607421875	140.0
334.819091796875	196.0
334.8560485839844	152.0
335.1272277832031	384.0
335.1595764160156	328.0
335.6763916015625	304.0
335.7635192871094	156.0
336.13702392578125	1260.0
336.2815856933594	140.0
336.3509521484375	180.0
336.4349060058594	220.0
336.906005859375	148.0
337.0115661621094	120.0
337.1014099121094	264.0
337.142578125	380.0
337.20562744140625	152.0
337.39190673828125	100.0
337.972412109375	216.0
338.117431640625	340.0
338.1884460449219	200.0
338.57025146484375	152.0
338.59765625	176.0
338.9935607910156	144.0
339.1163330078125	768.0
339.2041015625	176.0
339.353759765625	148.0
339.57147216796875	164.0
339.6294250488281	172.0
339.69818115234375	184.0
339.752197265625	180.0
339.87652587890625	124.0
340.0697326660156	156.0
340.1313171386719	1080.0
340.1982116699219	108.0
340.2752990722656	144.0
340.3252868652344	176.0
340.3597412109375	144.0
340.5521545410156	152.0
340.7601013183594	216.0
340.79718017578125	124.0
340.9189758300781	152.0
340.986572265625	204.0
341.1283264160156	18280.0
341.2143859863281	256.0
341.407470703125	132.0
341.4682922363281	108.0
341.501953125	128.0
341.66741943359375	348.0
341.80560302734375	212.0
341.9407043457031	264.0
342.03814697265625	240.0
342.13616943359375	28372.0
342.2205810546875	136.0
342.3053894042969	164.0
342.4129638671875	112.0
342.4448547363281	160.0
342.503173828125	96.0
342.5411682128906	164.0
342.6065368652344	148.0
342.66375732421875	232.0
342.7130126953125	152.0
342.96295166015625	236.0
343.0654602050781	268.0
343.14105224609375	5688.0
343.2571105957031	208.0
343.29205322265625	160.0
343.4761657714844	100.0
343.5076599121094	180.0
343.78875732421875	144.0
343.8514709472656	140.0
344.07757568359375	104.0
344.14532470703125	1036.0
344.2504577636719	124.0
344.29022216796875	188.0
344.5169677734375	96.0
344.5895080566406	176.0
344.91070556640625	100.0
345.1134033203125	120.0
345.1579895019531	308.0
345.185791015625	136.0
345.2275390625	144.0
345.3070373535156	124.0
345.4700012207031	232.0
345.7275085449219	136.0
346.1263732910156	252.0
346.1375732421875	156.0
346.149658203125	436.0
346.2798767089844	160.0
346.4177551269531	132.0
346.49237060546875	112.0
346.69464111328125	156.0
346.7861633300781	140.0
346.9100036621094	100.0
347.0127868652344	116.0
347.129150390625	252.0
347.3584899902344	224.0
347.4053955078125	156.0
347.5218505859375	156.0
347.9969787597656	148.0
348.1258544921875	164.0
348.1863098144531	336.0
348.361083984375	144.0
348.6850891113281	204.0
348.7756042480469	176.0
348.8536682128906	156.0
348.94866943359375	168.0
348.99017333984375	128.0
349.1293029785156	304.0
349.1676940917969	332.0
349.22760009765625	184.0
349.3204345703125	116.0
349.49334716796875	140.0
349.6794128417969	204.0
349.8088684082031	160.0
350.0032958984375	152.0
350.11895751953125	340.0
350.15606689453125	404.0
350.3474426269531	128.0
350.6577453613281	132.0
350.76446533203125	128.0
351.1280212402344	256.0
351.1739196777344	456.0
351.48309326171875	168.0
351.6883544921875	144.0
352.0131530761719	196.0
352.0467529296875	180.0
352.121337890625	244.0
352.17962646484375	252.0
353.1326599121094	468.0
353.1844482421875	820.0
353.2796936035156	124.0
353.31341552734375	144.0
353.42767333984375	140.0
353.4941711425781	160.0
353.6905822753906	452.0
353.85650634765625	272.0
353.91705322265625	164.0
354.04754638671875	132.0
354.1464538574219	1548.0
354.2030944824219	260.0
354.6244201660156	188.0
354.86419677734375	108.0
355.1485900878906	1016.0
355.2606506347656	160.0
355.51605224609375	328.0
355.5916442871094	104.0
355.9250183105469	116.0
356.0763854980469	168.0
356.15069580078125	568.0
356.26043701171875	216.0
356.454345703125	144.0
356.68505859375	152.0
356.92327880859375	160.0
357.15081787109375	124.0
357.7070007324219	124.0
357.99664306640625	164.0
358.0464172363281	388.0
358.12615966796875	144.0
358.163818359375	136.0
358.1761474609375	132.0
358.316162109375	156.0
358.42376708984375	204.0
358.6800537109375	144.0
358.9515075683594	208.0
359.14508056640625	132.0
360.12896728515625	176.0
360.1553955078125	196.0
360.8885192871094	284.0
361.12298583984375	172.0
361.1695556640625	192.0
361.4229431152344	192.0
361.6148376464844	148.0
361.68682861328125	176.0
361.89874267578125	172.0
362.14935302734375	268.0
362.19195556640625	1480.0
362.280517578125	184.0
362.50860595703125	148.0
362.59197998046875	208.0
362.6260681152344	144.0
362.6932373046875	984.0
363.0469055175781	240.0
363.1547546386719	420.0
363.2013854980469	384.0
363.85003662109375	176.0
364.1596374511719	252.0
364.3905944824219	156.0
364.47808837890625	144.0
364.67559814453125	160.0
365.1719970703125	376.0
365.3736877441406	148.0
365.4589538574219	140.0
365.7767333984375	112.0
366.16033935546875	204.0
366.68133544921875	312.0
366.84185791015625	108.0
366.98248291015625	148.0
367.14434814453125	248.0
367.17340087890625	264.0
367.4339599609375	140.0
368.1575927734375	840.0
368.9657287597656	136.0
369.1946105957031	1096.0
369.2392883300781	272.0
369.2928161621094	168.0
369.66168212890625	124.0
369.8476257324219	168.0
370.073486328125	196.0
370.133056640625	128.0
370.1940002441406	276.0
370.5254211425781	172.0
371.10797119140625	140.0
371.2069091796875	120.0
371.39447021484375	156.0
371.4684753417969	232.0
371.69097900390625	160.0
371.90972900390625	272.0
372.0095520019531	188.0
372.1514587402344	136.0
372.35125732421875	160.0
372.42230224609375	112.0
372.93292236328125	144.0
372.9866638183594	128.0
373.17742919921875	112.0
373.2087097167969	156.0
373.27252197265625	176.0
373.43853759765625	120.0
373.9737548828125	148.0
374.05413818359375	144.0
374.1233215332031	380.0
374.1958312988281	312.0
375.0560607910156	176.0
375.1264343261719	140.0
375.1755676269531	140.0
375.2051086425781	148.0
375.26690673828125	156.0
375.56781005859375	128.0
375.6421813964844	156.0
375.6807556152344	164.0
376.1651611328125	108.0
376.234375	112.0
376.5240478515625	184.0
376.65350341796875	156.0
376.7029113769531	188.0
376.84796142578125	144.0
377.1014404296875	112.0
377.16583251953125	244.0
377.46929931640625	148.0
377.5501708984375	156.0
377.8264465332031	256.0
378.1813049316406	156.0
378.2659606933594	152.0
378.4711608886719	208.0
378.88836669921875	100.0
379.1778869628906	1336.0
379.24981689453125	164.0
379.41607666015625	108.0
380.1182861328125	128.0
380.1643981933594	760.0
380.3508605957031	152.0
380.4562072753906	196.0
380.8789978027344	100.0
380.9493713378906	164.0
381.16259765625	1228.0
382.05999755859375	152.0
382.1658935546875	948.0
382.2230529785156	288.0
382.67999267578125	164.0
382.7539978027344	144.0
382.90771484375	140.0
383.1951599121094	4088.0
383.62469482421875	116.0
383.6967468261719	2172.0
384.15118408203125	112.0
384.2004699707031	452.0
384.63446044921875	116.0
384.7021484375	300.0
384.9337158203125	200.0
385.0938415527344	184.0
385.1497802734375	172.0
385.2032165527344	196.0
385.2386779785156	152.0
385.3360290527344	140.0
385.3998107910156	136.0
385.5314025878906	160.0
385.5794677734375	152.0
385.8666687011719	100.0
385.9166564941406	180.0
385.9986572265625	104.0
386.1120300292969	100.0
386.4385681152344	156.0
387.10247802734375	428.0
387.57794189453125	168.0
387.6053771972656	156.0
387.8836364746094	144.0
388.0718078613281	152.0
388.1172790527344	140.0
388.3673400878906	168.0
388.63177490234375	136.0
388.7347106933594	172.0
388.7896423339844	140.0
388.9801025390625	152.0
389.0464172363281	96.0
389.181640625	140.0
389.41571044921875	148.0
389.5072937011719	128.0
389.6613464355469	184.0
390.1548156738281	260.0
390.1815185546875	124.0
390.70147705078125	156.0
390.92584228515625	136.0
390.9707336425781	156.0
391.16900634765625	168.0
391.40374755859375	176.0
391.5722351074219	148.0
391.7070007324219	220.0
391.8652038574219	260.0
391.98028564453125	124.0
392.0221862792969	208.0
392.05816650390625	124.0
392.2009582519531	3748.0
392.3675537109375	100.0
392.51751708984375	140.0
392.6088562011719	172.0
392.70318603515625	1408.0
392.7791748046875	180.0
392.97833251953125	100.0
393.1460876464844	212.0
393.20721435546875	652.0
393.289794921875	128.0
393.4974060058594	144.0
393.6444091796875	136.0
393.72015380859375	184.0
393.99896240234375	152.0
394.1647644042969	108.0
394.2142639160156	172.0
394.4034729003906	208.0
394.57476806640625	120.0
394.61944580078125	168.0
394.8355712890625	116.0
395.1322326660156	152.0
395.174560546875	1932.0
395.3446350097656	144.0
395.52960205078125	116.0
395.56890869140625	200.0
395.7213439941406	160.0
395.87451171875	124.0
395.9181213378906	156.0
395.9547119140625	236.0
396.0296325683594	216.0
396.07275390625	216.0
396.1094970703125	160.0
396.180908203125	884.0
396.24609375	188.0
396.3003845214844	148.0
396.34808349609375	272.0
396.429931640625	152.0
396.4751892089844	148.0
396.5873718261719	132.0
396.64764404296875	240.0
396.7432861328125	292.0
396.7806091308594	340.0
396.83514404296875	212.0
396.8684997558594	148.0
396.9341735839844	308.0
396.9870300292969	272.0
397.02923583984375	268.0
397.1332702636719	384.0
397.1923828125	216300.0
397.2965393066406	568.0
397.39178466796875	144.0
397.4658203125	104.0
397.5439147949219	268.0
397.6205139160156	108.0
397.6906433105469	200.0
397.7864685058594	204.0
397.845947265625	636.0
397.9182434082031	148.0
398.00347900390625	256.0
398.057373046875	216.0
398.1368408203125	368.0
398.1947937011719	60952.0
398.31256103515625	156.0
398.5407409667969	164.0
398.6990661621094	268.0
398.76416015625	168.0
398.8926696777344	164.0
399.07745361328125	144.0
399.1968994140625	8768.0
399.26788330078125	148.0
399.4865417480469	124.0
399.5321960449219	108.0
399.7594909667969	180.0
399.8059997558594	172.0
399.8765563964844	108.0
399.9388732910156	172.0
400.1326599121094	160.0
400.1977233886719	976.0
400.2649841308594	112.0
400.3355407714844	132.0
400.3993225097656	276.0
400.4628601074219	144.0
400.4959716796875	252.0
400.55194091796875	240.0
400.58935546875	296.0
400.6458435058594	204.0
400.7203674316406	268.0
400.7852478027344	184.0
400.8295593261719	388.0
400.8825378417969	196.0
400.9525451660156	228.0
400.98712158203125	164.0
401.0533752441406	108.0
401.0822448730469	304.0
401.16424560546875	208.0
401.20257568359375	188.0
401.23382568359375	144.0
401.32403564453125	128.0
401.3554992675781	136.0
401.4176025390625	116.0
401.5826110839844	96.0
401.6888732910156	192.0
401.7289733886719	112.0
401.77716064453125	164.0
402.2215576171875	416.0
402.7117004394531	120.0
402.78216552734375	192.0
402.927001953125	124.0
402.9662780761719	128.0
403.1777038574219	176.0
403.4734802246094	184.0
403.6614074707031	216.0
403.7157897949219	188.0
403.7613830566406	148.0
403.80328369140625	160.0
404.20245361328125	488.0
404.2441711425781	128.0
404.52337646484375	108.0
404.6016540527344	144.0
404.69989013671875	584.0
404.8018493652344	140.0
405.06219482421875	252.0
405.2082824707031	220.0
405.3888244628906	152.0
405.4658203125	168.0
405.6311950683594	188.0
405.69677734375	160.0
405.7921142578125	104.0
406.1777038574219	96.0
406.2888488769531	180.0
406.36907958984375	232.0
406.40118408203125	156.0
406.57373046875	164.0
406.6557312011719	176.0
407.1418762207031	100.0
407.1965026855469	288.0
407.3807678222656	140.0
407.508544921875	100.0
407.5541076660156	144.0
407.86602783203125	212.0
408.0774230957031	200.0
408.5783386230469	132.0
408.6142272949219	172.0
408.7188415527344	200.0
408.8309020996094	184.0
408.97259521484375	124.0
409.02142333984375	172.0
409.0559387207031	104.0
409.2617492675781	196.0
409.4401550292969	176.0
409.54205322265625	120.0
409.83074951171875	124.0
410.0376281738281	144.0
410.1876220703125	108.0
410.218017578125	324.0
410.2735595703125	200.0
410.5134582519531	180.0
410.92083740234375	96.0
411.15936279296875	144.0
411.2121887207031	176.0
411.2584533691406	156.0
411.3185119628906	132.0
411.39166259765625	244.0
411.4265441894531	216.0
411.62005615234375	104.0
411.7704162597656	156.0
411.93865966796875	144.0
412.0741882324219	96.0
412.1524658203125	192.0
412.19390869140625	332.0
412.2371520996094	140.0
412.2784423828125	232.0
412.3307800292969	96.0
412.3658447265625	168.0
412.50872802734375	196.0
412.6013488769531	128.0
412.6625671386719	240.0
412.7059631347656	320.0
412.82586669921875	148.0
412.9397277832031	124.0
412.9850769042969	120.0
413.05316162109375	284.0
413.1478576660156	256.0
413.2079772949219	23696.0
413.32647705078125	176.0
413.3822937011719	276.0
413.4364013671875	180.0
413.4729919433594	112.0
413.4965515136719	144.0
413.549072265625	100.0
413.62457275390625	256.0
413.7093200683594	16480.0
413.8181457519531	120.0
413.8666076660156	304.0
413.902587890625	172.0
413.9586181640625	120.0
413.9894714355469	308.0
414.02313232421875	440.0
414.07269287109375	260.0
414.11700439453125	564.0
414.2102966308594	4176.0
414.2891540527344	240.0
414.3328552246094	148.0
414.3711242675781	328.0
414.4059143066406	496.0
414.4378967285156	276.0
414.48687744140625	220.0
414.52789306640625	188.0
414.5851135253906	360.0
414.6309814453125	524.0
414.66339111328125	392.0
414.7120056152344	1388.0
414.80609130859375	388.0
414.8707580566406	432.0
414.92779541015625	276.0
414.9563903808594	752.0
415.0378112792969	948.0
415.1155700683594	1012.0
415.14923095703125	1476.0
415.205322265625	236720.0
415.34625244140625	172.0
415.48712158203125	312.0
415.58154296875	3400.0
415.6408996582031	512.0
415.7110900878906	836.0
415.7619934082031	544.0
415.8208312988281	1780.0
415.8813171386719	11432.0
416.0259704589844	340.0
416.07745361328125	444.0
416.1523132324219	264.0
416.20721435546875	208256.0
416.4772033691406	192.0
416.5018005371094	540.0
416.5833435058594	968.0
416.7073974609375	228.0
416.8311767578125	188.0
416.8761291503906	4864.0
416.9179382324219	396.0
417.0303649902344	240.0
417.06744384765625	164.0
417.2077941894531	47564.0
417.5157470703125	388.0
417.56866455078125	268.0
417.610107421875	300.0
417.6883850097656	140.0
417.82110595703125	280.0
417.87811279296875	236.0
417.92401123046875	200.0
418.0419616699219	112.0
418.0718994140625	156.0
418.1132507324219	312.0
418.21063232421875	4240.0
418.2837219238281	152.0
418.3615417480469	232.0
418.42181396484375	268.0
418.4391784667969	188.0
418.5086975097656	360.0
418.51788330078125	440.0
418.5530700683594	288.0
418.6363525390625	412.0
418.66802978515625	480.0
418.73974609375	280.0
418.78839111328125	488.0
418.8420715332031	636.0
418.8772888183594	396.0
418.8898010253906	408.0
418.9365539550781	368.0
418.9788513183594	376.0
419.0372009277344	180.0
419.0876770019531	312.0
419.1202697753906	192.0
419.1631774902344	192.0
419.2226257324219	100.0
419.29412841796875	232.0
419.3534240722656	172.0
419.40966796875	124.0
419.5518798828125	160.0
419.7032470703125	172.0
419.821533203125	284.0
419.868408203125	232.0
419.9190673828125	320.0
419.9964904785156	240.0
420.0505065917969	212.0
420.17938232421875	196.0
420.28131103515625	124.0
420.48358154296875	196.0
420.7159729003906	108.0
420.8419494628906	184.0
420.97491455078125	136.0
421.70989990234375	116.0
421.75006103515625	144.0
423.1638488769531	200.0
425.3158264160156	116.0
426.5622863769531	148.0
426.69488525390625	112.0
426.92193603515625	168.0
427.2199401855469	120.0
428.7503662109375	136.0
429.4490966796875	100.0
429.6177978515625	140.0
429.9746398925781	108.0
430.1648254394531	108.0
430.69305419921875	100.0
430.82635498046875	112.0
430.8939514160156	136.0
431.16326904296875	248.0
431.5846862792969	100.0
432.1767272949219	224.0
432.68524169921875	100.0
433.1770324707031	152.0
433.2527160644531	148.0
433.6918029785156	108.0
433.9287414550781	104.0
434.2232971191406	172.0
434.5408630371094	104.0
435.0671691894531	96.0
435.20086669921875	156.0
435.2590026855469	168.0
436.2151794433594	300.0
437.2032470703125	180.0
438.1683349609375	140.0
440.5259704589844	100.0
448.2010498046875	180.0
448.5157165527344	96.0
448.7363586425781	152.0
451.2019348144531	176.0
451.25689697265625	168.0
453.1614685058594	148.0
456.1994323730469	100.0
458.2301025390625	152.0
459.166015625	128.0
460.1664123535156	116.0
460.69598388671875	148.0
460.8198547363281	140.0
464.1927490234375	140.0
467.1734619140625	168.0
468.2452392578125	144.0
473.2457580566406	192.0
474.2188415527344	184.0
475.2308349609375	164.0
476.1755676269531	196.0
476.2221374511719	148.0
476.28045654296875	164.0
477.20703125	324.0
477.23828125	128.0
478.2162780761719	252.0
478.250244140625	252.0
486.0169677734375	132.0
487.596435546875	128.0
492.22161865234375	96.0
495.2481994628906	224.0
496.23822021484375	152.0
500.1990966796875	140.0
501.1348876953125	96.0
501.2323303222656	160.0
502.1952819824219	152.0
504.19989013671875	152.0
504.2347717285156	164.0
504.2848205566406	176.0
506.24267578125	272.0
507.22552490234375	204.0
512.2717895507812	140.0
514.2847290039062	144.0
514.4321899414062	100.0
516.21337890625	188.0
518.2164306640625	120.0
518.3013916015625	100.0
519.2711791992188	168.0
521.2598876953125	164.0
524.23779296875	168.0
525.2486572265625	100.0
526.1991577148438	156.0
526.2611083984375	156.0
527.3045654296875	140.0
528.7510986328125	112.0
530.2692260742188	132.0
531.8115844726562	96.0
532.2107543945312	152.0
533.267333984375	160.0
535.2063598632812	144.0
540.2778930664062	116.0
543.8350219726562	144.0
544.2877197265625	216.0
547.2145385742188	140.0
549.1740112304688	108.0
550.2098999023438	116.0
551.2586059570312	172.0
556.3807373046875	116.0
565.0358276367188	100.0
565.3145751953125	176.0
568.2412719726562	152.0
569.3203735351562	188.0
571.966064453125	128.0
573.0400390625	140.0
575.2242431640625	140.0
578.278076171875	120.0
580.2405395507812	108.0
581.726318359375	132.0
586.2120361328125	104.0
592.6727294921875	184.0
593.28076171875	140.0
594.2649536132812	116.0
605.2997436523438	128.0
640.6412963867188	96.0
644.3834228515625	112.0
669.4232177734375	144.0
675.2185668945312	144.0
722.5224609375	116.0
723.3688354492188	144.0
744.7296142578125	112.0
769.1758422851562	132.0
801.417236328125	144.0
851.4827880859375	236.0
870.5401000976562	104.0
884.3046264648438	144.0
897.9995727539062	200.0
907.2649536132812	128.0
926.1956787109375	144.0
927.449951171875	188.0
947.333251953125	176.0
962.7592163085938	144.0
999.5144653320312	164.0
1021.34716796875	140.0
1129.5228271484375	140.0
1130.6605224609375	100.0
1137.3692626953125	200.0
1241.6131591796875	144.0
1268.7957763671875	148.0
1274.0828857421875	204.0
1295.7784423828125	240.0
1322.646728515625	148.0
1341.730224609375	152.0
1354.1744384765625	160.0
1368.7039794921875	136.0
1380.070556640625	164.0
1395.73046875	228.0
1397.1510009765625	204.0
1403.287841796875	140.0
1414.58837890625	136.0
1424.52685546875	180.0
1434.9876708984375	172.0
1442.3631591796875	168.0
1443.0284423828125	188.0
1455.8568115234375	148.0
1459.541015625	252.0
1464.9383544921875	164.0
1465.3648681640625	152.0
1471.8099365234375	140.0
1480.74951171875	168.0
1484.2822265625	140.0
1485.1412353515625	140.0
1489.3780517578125	160.0
1498.6480712890625	172.0
1502.371826171875	156.0
1514.1195068359375	124.0
1520.400390625	140.0
1534.0897216796875	200.0
1535.0252685546875	144.0
1539.77001953125	168.0
1550.1982421875	176.0
1559.41162109375	188.0
1559.9068603515625	160.0
1568.337158203125	140.0
1575.4547119140625	156.0
1575.9388427734375	112.0
1577.0745849609375	148.0
1587.1920166015625	148.0
1591.22265625	184.0
1599.3629150390625	152.0
1603.921142578125	180.0
1604.1103515625	196.0
1608.465576171875	152.0
1609.974609375	184.0
1621.0621337890625	164.0
1626.9412841796875	140.0
1632.2843017578125	160.0
1633.42626953125	140.0
1635.4298095703125	140.0
1639.3035888671875	172.0
1641.7703857421875	168.0
1678.4727783203125	144.0
1680.5445556640625	156.0
1687.3807373046875	216.0
1702.3671875	196.0
1704.7987060546875	196.0
1709.0196533203125	196.0
1713.6524658203125	176.0
1718.541748046875	164.0
1729.8970947265625	216.0
1737.3167724609375	212.0
1740.118896484375	204.0
1764.304443359375	184.0
1776.1787109375	164.0
1778.074951171875	156.0
1782.8282470703125	196.0
1784.6607666015625	144.0
1789.8607177734375	244.0
1814.2017822265625	184.0
1828.8035888671875	180.0
1840.8927001953125	188.0
1843.6263427734375	264.0
1843.7886962890625	168.0
1849.0140380859375	236.0
1849.3221435546875	168.0
1852.9444580078125	180.0
1857.2230224609375	180.0
1865.4051513671875	152.0
1869.5938720703125	180.0
1872.3056640625	164.0
1874.433349609375	160.0
1901.588134765625	144.0
1902.66455078125	156.0
1903.645751953125	184.0
1911.06884765625	144.0
1925.7315673828125	156.0
1950.123779296875	144.0
1951.2841796875	144.0
1953.931396484375	208.0
1957.9276123046875	172.0
1960.3502197265625	172.0
1962.739013671875	144.0
1963.0653076171875	160.0
1972.0084228515625	164.0
1972.3885498046875	148.0
1975.4127197265625	144.0
1976.6778564453125	164.0
1978.076171875	156.0
1980.4049072265625	144.0
1980.8123779296875	160.0
1996.5400390625	152.0
1998.265625	148.0
1999.689453125	200.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079212
PEPMASS=410.957092
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="Thiophene, 5-bromo-2-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CS(=O)(=O)c1ccc(cc1)c2cc(Br)sc2c3ccc(F)cc3
INCHI=InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
INCHIAUX=AJFTZWGGHJXZOB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079212
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079212
SCANS=2858
56.39827346801758	180.0
59.07797622680664	200.0
89.7606430053711	144.0
122.0700912475586	156.0
123.70940399169922	180.0
130.20787048339844	228.0
146.84393310546875	164.0
154.8216094970703	140.0
158.83689880371094	196.0
165.0674285888672	152.0
187.3411407470703	188.0
189.0667724609375	168.0
191.1331024169922	184.0
193.54002380371094	156.0
196.0690460205078	204.0
208.03216552734375	124.0
208.0623321533203	144.0
209.0738525390625	492.0
210.07937622070312	240.0
219.0586395263672	160.0
219.53611755371094	204.0
220.0684356689453	4384.0
220.12876892089844	120.0
221.07302856445312	640.0
222.07200622558594	184.0
226.19447326660156	184.0
230.64027404785156	168.0
232.0327606201172	264.0
233.0428009033203	224.0
234.04856872558594	524.0
234.6412811279297	180.0
237.0409698486328	112.0
239.02764892578125	380.0
239.88047790527344	152.0
240.03941345214844	372.0
241.042724609375	192.0
244.01025390625	148.0
251.03521728515625	304.0
252.0399169921875	4732.0
252.9323272705078	196.0
253.04698181152344	3856.0
254.04701232910156	504.0
255.0469970703125	160.0
269.04241943359375	272.0
280.7564697265625	180.0
285.03173828125	140.0
298.0013427734375	140.0
298.9572448730469	160.0
300.02154541015625	160.0
300.95098876953125	228.0
311.9552307128906	340.0
312.7083435058594	156.0
312.9627685546875	108.0
313.95513916015625	568.0
314.966796875	112.0
316.9390563964844	428.0
318.9393310546875	1012.0
319.94061279296875	168.0
320.01129150390625	148.0
330.95196533203125	504.0
331.067626953125	184.0
331.516845703125	172.0
331.96551513671875	8536.0
332.03216552734375	664.0
332.9658203125	1008.0
333.9625549316406	7788.0
334.02386474609375	156.0
334.92108154296875	148.0
334.9673156738281	864.0
335.9629211425781	172.0
346.94873046875	332.0
362.9419250488281	160.0
363.9532470703125	180.0
365.0025634765625	128.0
378.93145751953125	244.0
380.9167175292969	292.0
389.7236022949219	144.0
409.37908935546875	208.0
409.9427490234375	988.0
410.303466796875	116.0
410.3905029296875	156.0
410.4913024902344	204.0
410.898681640625	244.0
410.95037841796875	7024.0
411.0918884277344	528.0
411.9446105957031	1992.0
412.0971984863281	140.0
412.4404602050781	140.0
412.4695739746094	152.0
412.8819580078125	152.0
412.9476318359375	4640.0
413.0401306152344	132.0
413.0863952636719	200.0
413.28662109375	172.0
413.3204345703125	112.0
413.9483642578125	776.0
414.4323425292969	180.0
414.94451904296875	280.0
415.21063232421875	144.0
428.9635925292969	504.0
429.9884948730469	160.0
430.9614562988281	404.0
501.2048034667969	180.0
1350.89306640625	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079213
PEPMASS=377.719543
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=VINDESINE SULFATE [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC[C@]1(O)C[C@H]2CN(C1)CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@@H]7[C@@]86CCN9CC=C[C@](CC)([C@H]98)[C@@H](O)[C@]7(O)C(=O)N
INCHI=InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1
INCHIAUX=HHJUWIANJFBDHT-KOTLKJBCSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079213
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079213
SCANS=1031
46.73448944091797	140.0
46.837955474853516	148.0
48.388431549072266	152.0
49.219905853271484	244.0
49.46596908569336	180.0
49.51637649536133	160.0
51.900108337402344	212.0
52.1125373840332	216.0
54.19325637817383	192.0
56.143070220947266	204.0
57.784908294677734	164.0
58.40232467651367	156.0
58.482967376708984	204.0
58.677955627441406	156.0
59.052921295166016	204.0
59.594749450683594	172.0
59.756187438964844	260.0
60.09977722167969	172.0
60.283531188964844	156.0
61.10844802856445	204.0
61.35919952392578	236.0
62.47898483276367	212.0
62.81452560424805	148.0
65.49578094482422	140.0
66.5875473022461	180.0
67.63267517089844	172.0
68.06056213378906	148.0
69.20983123779297	156.0
69.77726745605469	300.0
69.90201568603516	160.0
70.60099029541016	200.0
70.95093536376953	144.0
71.13379669189453	212.0
71.55575561523438	160.0
72.2883071899414	164.0
74.00240325927734	164.0
74.35724639892578	156.0
74.68540954589844	212.0
74.90746307373047	236.0
75.2005844116211	184.0
75.67770385742188	180.0
75.94978332519531	188.0
77.05345916748047	164.0
77.11112213134766	184.0
77.4347915649414	180.0
77.80477905273438	176.0
77.87677764892578	168.0
78.01207733154297	212.0
79.21559143066406	180.0
79.2935562133789	144.0
79.34950256347656	184.0
80.04679107666016	160.0
81.63945770263672	176.0
82.09687042236328	172.0
82.3441162109375	144.0
82.56460571289062	176.0
82.97745513916016	260.0
83.51497650146484	168.0
84.2733383178711	144.0
84.36654663085938	160.0
85.07550811767578	160.0
85.29594421386719	168.0
86.63567352294922	144.0
87.18302917480469	152.0
87.67620086669922	144.0
87.89437866210938	208.0
87.9167709350586	160.0
88.01757049560547	172.0
88.04931640625	176.0
88.4438247680664	172.0
88.70793914794922	188.0
88.72480773925781	160.0
89.01563262939453	196.0
89.15088653564453	160.0
89.93814086914062	156.0
90.14210510253906	236.0
90.7004165649414	160.0
90.82935333251953	172.0
91.05829620361328	200.0
91.37075805664062	160.0
91.57063293457031	148.0
92.58885955810547	136.0
93.069091796875	424.0
93.86651611328125	144.0
94.04593658447266	156.0
94.06523895263672	164.0
94.1868896484375	156.0
94.58328247070312	172.0
95.04960632324219	336.0
95.08562469482422	720.0
96.00157928466797	148.0
96.0798110961914	324.0
96.18302154541016	148.0
96.21835327148438	184.0
96.47994995117188	196.0
97.06536102294922	152.0
97.08997344970703	160.0
98.00296020507812	164.0
98.01872253417969	152.0
98.0638427734375	116.0
98.35990905761719	164.0
98.38951873779297	140.0
99.41630554199219	128.0
100.6110610961914	180.0
100.99272918701172	216.0
101.05874633789062	192.0
101.6939926147461	204.0
101.83855438232422	188.0
102.01136016845703	168.0
102.3211669921875	188.0
102.43998718261719	268.0
102.84528350830078	184.0
103.05329132080078	152.0
104.03366088867188	136.0
104.8226547241211	156.0
104.83895874023438	148.0
105.06907653808594	520.0
105.08773040771484	144.0
105.25305938720703	156.0
105.57085418701172	184.0
106.06501770019531	344.0
107.04995727539062	260.0
107.072265625	448.0
107.37290954589844	160.0
107.47399139404297	140.0
107.635986328125	124.0
107.79817962646484	140.0
108.04629516601562	156.0
108.08030700683594	1392.0
108.98965454101562	236.0
109.02913665771484	180.0
109.06580352783203	288.0
109.09980773925781	152.0
109.26410675048828	188.0
109.53681182861328	188.0
110.05818939208984	124.0
110.09648132324219	760.0
111.10008239746094	144.0
111.48680877685547	180.0
112.07664489746094	332.0
112.1095962524414	160.0
112.55903625488281	140.0
113.08343505859375	148.0
113.7106704711914	184.0
114.73168182373047	176.0
115.53252410888672	176.0
115.99507141113281	200.0
116.05577087402344	128.0
116.31683349609375	156.0
116.41130065917969	176.0
116.43707275390625	196.0
116.81776428222656	172.0
117.0807113647461	192.0
117.18565368652344	240.0
117.5824203491211	164.0
118.06202697753906	164.0
118.3498306274414	140.0
119.03599548339844	328.0
119.29357147216797	148.0
119.3848876953125	204.0
120.05562591552734	144.0
120.0790023803711	416.0
120.55772399902344	176.0
120.8004150390625	164.0
121.06299591064453	248.0
121.08948516845703	1536.0
121.61554718017578	176.0
121.87467956542969	164.0
121.95819091796875	208.0
122.06672668457031	184.0
122.09588623046875	3168.0
122.6134033203125	120.0
122.63390350341797	140.0
122.989013671875	164.0
123.04438018798828	444.0
123.08129119873047	2044.0
123.10041046142578	648.0
123.17890930175781	180.0
123.57019805908203	240.0
123.67863464355469	208.0
124.07337951660156	180.0
124.11217498779297	3180.0
124.43012237548828	160.0
124.70557403564453	144.0
124.73446655273438	188.0
124.88121795654297	220.0
125.05901336669922	380.0
125.08821868896484	140.0
125.0992202758789	144.0
125.11840057373047	248.0
125.20979309082031	108.0
125.88410186767578	188.0
126.04085540771484	136.0
126.05931091308594	156.0
126.09319305419922	544.0
126.1256103515625	456.0
126.24771118164062	100.0
126.57730102539062	192.0
126.68587493896484	116.0
127.09403228759766	280.0
127.55998229980469	164.0
128.0669403076172	176.0
128.10183715820312	136.0
128.2803192138672	160.0
128.4990692138672	208.0
128.9619903564453	144.0
129.10894775390625	140.0
130.02194213867188	160.0
130.0662841796875	1796.0
130.2035675048828	148.0
130.6718292236328	168.0
130.92221069335938	200.0
131.06964111328125	504.0
132.07757568359375	628.0
132.81690979003906	212.0
133.06600952148438	1024.0
133.1726837158203	144.0
133.56112670898438	164.0
134.01002502441406	148.0
134.05967712402344	624.0
134.096435546875	1276.0
134.2359161376953	176.0
134.792236328125	156.0
134.83151245117188	188.0
134.89161682128906	148.0
135.0498046875	160.0
135.07855224609375	500.0
135.10336303710938	440.0
135.34043884277344	152.0
135.48170471191406	216.0
135.5406036376953	96.0
135.84799194335938	196.0
136.03594970703125	140.0
136.0748291015625	160.0
136.1130828857422	804.0
136.32627868652344	140.0
136.5703887939453	160.0
136.6122589111328	156.0
137.04733276367188	5044.0
137.11520385742188	144.0
137.44400024414062	212.0
138.05421447753906	1452.0
138.0924072265625	608.0
138.1278839111328	744.0
138.3578643798828	172.0
138.57098388671875	192.0
138.80770874023438	220.0
138.90386962890625	208.0
139.07464599609375	248.0
139.13174438476562	152.0
139.58261108398438	172.0
139.60142517089844	160.0
139.72190856933594	140.0
140.05145263671875	164.0
140.07498168945312	152.0
140.107177734375	5776.0
140.3125	168.0
140.56724548339844	184.0
140.87698364257812	168.0
141.1110076904297	804.0
141.62400817871094	220.0
141.67611694335938	156.0
142.122314453125	2888.0
142.2903594970703	212.0
142.87738037109375	232.0
143.07241821289062	648.0
143.1034698486328	160.0
143.12857055664062	648.0
143.1725311279297	180.0
143.195068359375	112.0
143.8234100341797	156.0
143.84219360351562	152.0
144.0809783935547	6016.0
144.995361328125	200.0
145.08377075195312	776.0
145.8906707763672	160.0
146.08770751953125	192.0
146.27438354492188	180.0
146.75979614257812	216.0
147.0653076171875	248.0
147.09010314941406	148.0
148.07411193847656	420.0
148.09481811523438	444.0
148.1135711669922	200.0
148.57614135742188	144.0
150.02247619628906	200.0
150.0572509765625	176.0
150.0908966064453	1820.0
150.68447875976562	296.0
151.00225830078125	156.0
151.07020568847656	3212.0
151.1319122314453	228.0
151.77854919433594	160.0
151.8079833984375	208.0
152.0708770751953	4252.0
152.10694885253906	552.0
152.1367645263672	220.0
152.57896423339844	240.0
153.07345581054688	676.0
153.11038208007812	152.0
153.14492797851562	144.0
153.1759796142578	128.0
153.23507690429688	116.0
153.45376586914062	184.0
153.58197021484375	204.0
154.0658721923828	168.0
154.12135314941406	1624.0
154.5520782470703	144.0
154.68077087402344	148.0
155.0701904296875	416.0
155.12559509277344	312.0
155.4019317626953	152.0
155.5694122314453	172.0
156.08114624023438	520.0
156.1058349609375	124.0
156.13796997070312	720.0
156.5577850341797	160.0
157.08660888671875	524.0
157.97213745117188	144.0
158.061767578125	172.0
158.09690856933594	336.0
158.2032012939453	144.0
158.66415405273438	156.0
158.72181701660156	160.0
158.7920379638672	176.0
159.06703186035156	144.0
159.1005096435547	292.0
159.7842559814453	196.0
160.09271240234375	556.0
160.34829711914062	188.0
160.58663940429688	180.0
160.74169921875	188.0
161.0858612060547	936.0
161.51478576660156	192.0
161.57550048828125	184.0
161.60585021972656	176.0
162.06666564941406	220.0
162.09091186523438	1548.0
162.239013671875	172.0
162.5704345703125	252.0
162.5941162109375	164.0
163.07272338867188	340.0
163.0926971435547	304.0
164.07470703125	156.0
164.14080810546875	168.0
164.31680297851562	184.0
164.5785675048828	180.0
164.83767700195312	168.0
165.07826232910156	1496.0
166.0838623046875	668.0
166.12228393554688	460.0
166.92425537109375	160.0
167.0677490234375	152.0
167.10025024414062	304.0
167.3230743408203	144.0
167.55276489257812	172.0
167.8538360595703	152.0
168.10142517089844	5324.0
168.13497924804688	256.0
168.20753479003906	128.0
168.32089233398438	148.0
168.5714569091797	216.0
168.6179656982422	192.0
169.08023071289062	296.0
169.10487365722656	320.0
169.14720153808594	312.0
170.0776824951172	3444.0
170.14413452148438	128.0
170.58169555664062	1476.0
170.7672882080078	144.0
171.087158203125	716.0
171.27484130859375	224.0
171.58815002441406	456.0
172.0753936767578	496.0
172.10304260253906	224.0
172.14385986328125	196.0
172.54510498046875	144.0
173.0857696533203	124.0
173.09292602539062	212.0
173.121337890625	144.0
173.60614013671875	140.0
174.0914764404297	1308.0
174.20982360839844	176.0
174.51467895507812	156.0
174.85882568359375	228.0
175.09771728515625	1128.0
175.60287475585938	168.0
175.64971923828125	140.0
176.072021484375	164.0
176.10560607910156	744.0
176.2833709716797	204.0
176.56509399414062	176.0
176.61119079589844	168.0
177.084228515625	548.0
177.10748291015625	440.0
177.59030151367188	668.0
177.7981414794922	304.0
177.87510681152344	176.0
178.0915069580078	1716.0
178.18051147460938	140.0
178.5922088623047	580.0
179.04080200195312	140.0
179.0829315185547	328.0
179.59934997558594	224.0
180.04507446289062	168.0
180.1025390625	1696.0
180.3309326171875	188.0
180.50469970703125	164.0
180.7882537841797	172.0
180.94454956054688	144.0
181.10113525390625	460.0
181.5907440185547	168.0
181.73414611816406	180.0
182.06353759765625	220.0
182.102783203125	408.0
182.2550506591797	152.0
182.60606384277344	152.0
183.05328369140625	320.0
183.09365844726562	516.0
183.53294372558594	136.0
183.5886993408203	144.0
184.0771026611328	812.0
184.10475158691406	304.0
184.57723999023438	324.0
184.59999084472656	436.0
185.06016540527344	164.0
185.08399963378906	608.0
185.11117553710938	268.0
185.14410400390625	156.0
185.33050537109375	128.0
185.57766723632812	476.0
185.87393188476562	140.0
186.0918731689453	1012.0
186.1301727294922	280.0
186.587646484375	160.0
186.6964111328125	168.0
186.85960388183594	144.0
187.0979461669922	2276.0
187.1807861328125	156.0
187.4967803955078	224.0
187.58534240722656	180.0
187.85397338867188	152.0
188.10716247558594	3888.0
188.33438110351562	152.0
188.35350036621094	152.0
188.42388916015625	168.0
188.58462524414062	540.0
189.08775329589844	376.0
189.11239624023438	656.0
189.5959930419922	220.0
190.1123809814453	324.0
190.3802490234375	140.0
190.5764923095703	192.0
190.60325622558594	392.0
190.88523864746094	204.0
191.0598907470703	224.0
191.08998107910156	564.0
191.11241149902344	936.0
191.40870666503906	204.0
191.60601806640625	344.0
192.11181640625	180.0
192.5807647705078	168.0
192.60568237304688	188.0
193.08775329589844	224.0
193.1125946044922	252.0
193.58810424804688	200.0
193.73977661132812	176.0
194.0907745361328	848.0
194.11900329589844	520.0
194.4884796142578	160.0
194.5881805419922	192.0
195.0579071044922	180.0
195.11123657226562	476.0
195.5990753173828	332.0
196.0930938720703	940.0
196.32192993164062	148.0
196.5979461669922	860.0
196.65391540527344	224.0
197.07118225097656	412.0
197.10047912597656	420.0
197.1069793701172	1020.0
197.58877563476562	116.0
197.60816955566406	384.0
197.70755004882812	204.0
197.72714233398438	140.0
198.0056915283203	124.0
198.06053161621094	220.0
198.0919189453125	808.0
198.1194610595703	3512.0
198.55921936035156	224.0
198.6223907470703	872.0
198.68263244628906	156.0
199.09967041015625	604.0
199.12277221679688	448.0
199.42396545410156	160.0
199.5904541015625	176.0
199.62171936035156	152.0
199.70303344726562	200.0
199.81483459472656	152.0
200.092041015625	3640.0
200.1788787841797	100.0
200.35536193847656	140.0
200.4765167236328	164.0
200.5891876220703	1412.0
200.9333038330078	176.0
201.10130310058594	820.0
201.41038513183594	164.0
201.52903747558594	172.0
201.59967041015625	208.0
202.08750915527344	312.0
202.1226806640625	976.0
202.54180908203125	140.0
202.59494018554688	180.0
202.8336639404297	156.0
202.8695068359375	136.0
203.0906982421875	488.0
203.12158203125	496.0
203.5985107421875	492.0
203.98329162597656	160.0
204.10748291015625	396.0
204.6084442138672	392.0
205.0791473388672	148.0
205.11390686035156	184.0
205.60362243652344	152.0
205.63246154785156	176.0
206.09205627441406	208.0
206.1172332763672	1896.0
206.61825561523438	208.0
206.68495178222656	148.0
207.1197052001953	940.0
207.57493591308594	192.0
207.60589599609375	276.0
208.04833984375	144.0
208.09579467773438	208.0
208.12977600097656	536.0
208.30966186523438	172.0
208.80279541015625	176.0
209.1079864501953	380.0
209.54957580566406	224.0
210.06069946289062	256.0
210.09567260742188	476.0
210.58131408691406	224.0
210.93190002441406	156.0
211.0513916015625	188.0
211.0954132080078	180.0
211.1207275390625	340.0
211.4915008544922	104.0
211.585693359375	164.0
211.6256561279297	144.0
211.78948974609375	148.0
212.07281494140625	144.0
212.10841369628906	704.0
212.3187713623047	148.0
212.6199493408203	1336.0
212.76852416992188	216.0
213.07713317871094	216.0
213.10752868652344	520.0
213.1176300048828	832.0
213.6074981689453	492.0
213.71080017089844	208.0
214.0868682861328	844.0
214.12315368652344	1748.0
214.16140747070312	168.0
214.5895233154297	136.0
214.61602783203125	212.0
214.65684509277344	204.0
214.8931121826172	208.0
215.09344482421875	520.0
215.1251220703125	280.0
215.1703643798828	152.0
215.4419708251953	144.0
215.5266876220703	148.0
215.6117401123047	176.0
216.06173706054688	184.0
216.1006317138672	944.0
216.1389923095703	440.0
216.60975646972656	176.0
217.13038635253906	500.0
217.36618041992188	172.0
217.55633544921875	156.0
217.62181091308594	652.0
218.0930633544922	352.0
218.12069702148438	356.0
218.58348083496094	188.0
218.61512756347656	284.0
219.1011962890625	348.0
219.12515258789062	404.0
219.6135711669922	236.0
219.66036987304688	216.0
219.98793029785156	240.0
220.0085906982422	148.0
220.1099090576172	468.0
220.91583251953125	160.0
221.0712127685547	116.0
221.1115264892578	236.0
221.61195373535156	216.0
222.09194946289062	464.0
222.61355590820312	204.0
223.1004638671875	256.0
223.11929321289062	168.0
223.25900268554688	164.0
223.3184814453125	156.0
223.5951690673828	208.0
223.6187744140625	288.0
224.12261962890625	808.0
224.3466796875	200.0
224.6239013671875	256.0
225.1337127685547	1008.0
225.44715881347656	180.0
225.63198852539062	408.0
225.67884826660156	148.0
225.91957092285156	152.0
226.1027069091797	1960.0
226.12652587890625	380.0
226.17691040039062	152.0
226.6069793701172	632.0
226.63739013671875	324.0
226.80677795410156	112.0
227.09475708007812	380.0
227.11709594726562	1092.0
227.62745666503906	688.0
227.97039794921875	200.0
228.06993103027344	172.0
228.1016387939453	1160.0
228.12794494628906	560.0
228.4695281982422	156.0
228.6346893310547	3076.0
229.10643005371094	320.0
229.13584899902344	1160.0
229.63873291015625	340.0
230.12054443359375	472.0
230.61703491210938	316.0
230.64431762695312	200.0
231.12176513671875	240.0
231.6130828857422	216.0
231.63140869140625	292.0
232.1014862060547	368.0
232.12384033203125	320.0
232.63746643066406	2952.0
232.80084228515625	152.0
233.1177520751953	568.0
233.14122009277344	1548.0
233.22010803222656	152.0
233.61048889160156	312.0
233.6414031982422	516.0
234.088623046875	284.0
234.12234497070312	252.0
234.14791870117188	316.0
234.23638916015625	164.0
234.4283447265625	148.0
234.63002014160156	192.0
235.1315155029297	132.0
235.55517578125	144.0
235.6407012939453	324.0
235.82540893554688	136.0
236.13259887695312	232.0
236.6199493408203	216.0
237.1178436279297	144.0
237.14857482910156	404.0
237.4263916015625	112.0
237.61160278320312	520.0
237.64202880859375	152.0
237.80467224121094	140.0
238.08921813964844	260.0
238.12490844726562	604.0
238.61605834960938	148.0
238.64637756347656	168.0
238.94778442382812	204.0
239.1001739501953	224.0
239.12136840820312	184.0
239.1571502685547	224.0
239.3417510986328	144.0
239.6248016357422	156.0
240.02159118652344	172.0
240.05355834960938	164.0
240.1002655029297	472.0
240.13658142089844	472.0
240.35894775390625	156.0
240.4477081298828	136.0
240.63400268554688	360.0
240.93321228027344	144.0
241.09542846679688	136.0
241.14199829101562	344.0
241.38137817382812	168.0
241.64202880859375	1536.0
242.0497589111328	188.0
242.11575317382812	388.0
242.14625549316406	2160.0
242.43386840820312	204.0
242.59194946289062	192.0
242.65139770507812	4548.0
242.9392547607422	228.0
242.99819946289062	148.0
243.07778930664062	136.0
243.11935424804688	332.0
243.15106201171875	1392.0
243.6241912841797	252.0
243.6494903564453	300.0
244.09751892089844	528.0
244.12689208984375	144.0
244.1619415283203	180.0
244.4181365966797	168.0
244.6171875	148.0
245.10275268554688	512.0
245.1110382080078	292.0
245.11984252929688	768.0
245.19041442871094	176.0
245.62887573242188	340.0
245.90150451660156	212.0
246.1140899658203	852.0
246.28097534179688	140.0
246.634765625	2656.0
247.13421630859375	1164.0
247.63406372070312	680.0
247.9711456298828	116.0
248.13331604003906	1028.0
248.23529052734375	140.0
248.56944274902344	160.0
248.63247680664062	628.0
248.6870574951172	184.0
249.13787841796875	676.0
249.64675903320312	160.0
249.84971618652344	156.0
250.12310791015625	328.0
250.6463165283203	144.0
250.71875	232.0
250.88973999023438	172.0
251.10205078125	208.0
251.12416076660156	496.0
251.14700317382812	240.0
251.6507110595703	304.0
252.1071014404297	292.0
252.13551330566406	448.0
252.1449432373047	376.0
252.64244079589844	192.0
252.67013549804688	160.0
253.10888671875	148.0
253.13221740722656	440.0
253.16671752929688	292.0
253.6297149658203	288.0
253.99427795410156	188.0
254.1288299560547	1052.0
254.39208984375	132.0
254.632080078125	1512.0
255.1332244873047	772.0
255.19142150878906	128.0
255.51910400390625	168.0
255.6404266357422	3356.0
255.687744140625	140.0
255.7991485595703	148.0
255.82461547851562	228.0
256.0904846191406	408.0
256.14208984375	1960.0
256.64471435546875	740.0
256.6720886230469	272.0
257.112060546875	548.0
257.13201904296875	864.0
257.16790771484375	200.0
257.63043212890625	212.0
258.11297607421875	1216.0
258.1478576660156	392.0
258.175537109375	376.0
258.6417236328125	520.0
258.69732666015625	144.0
259.11883544921875	952.0
259.6253356933594	316.0
259.6494140625	272.0
260.0310974121094	224.0
260.0743713378906	112.0
260.1283264160156	1340.0
260.64208984375	244.0
261.13372802734375	548.0
261.2874755859375	180.0
261.6404113769531	1732.0
262.1319274902344	332.0
262.4114990234375	152.0
262.64935302734375	10432.0
262.7677307128906	244.0
263.11126708984375	156.0
263.1500549316406	2528.0
263.6489562988281	852.0
264.14544677734375	476.0
264.30987548828125	196.0
264.6478271484375	1508.0
265.0864562988281	228.0
265.14837646484375	724.0
265.16900634765625	920.0
265.6239318847656	300.0
265.6528625488281	536.0
265.71771240234375	160.0
265.7492980957031	172.0
266.1187744140625	748.0
266.1719665527344	628.0
266.2362060546875	268.0
266.6357421875	664.0
267.1308898925781	736.0
267.2731628417969	212.0
267.62139892578125	200.0
267.67352294921875	156.0
268.1095275878906	336.0
268.1449279785156	244.0
268.6303405761719	464.0
269.1045227050781	268.0
269.1566162109375	300.0
269.2812805175781	152.0
269.5375671386719	228.0
269.6216125488281	352.0
269.69403076171875	144.0
269.8175048828125	164.0
270.116943359375	304.0
270.1560363769531	264.0
270.1955871582031	144.0
270.38958740234375	140.0
270.6469421386719	17720.0
270.7489318847656	188.0
270.9144287109375	204.0
270.99029541015625	172.0
271.0877380371094	424.0
271.1480712890625	7124.0
271.2384948730469	492.0
271.2720031738281	244.0
271.3108215332031	276.0
271.3599548339844	224.0
271.4277648925781	252.0
271.45379638671875	236.0
271.4866943359375	196.0
271.5272521972656	296.0
271.5882263183594	324.0
271.6552734375	148204.0
271.73773193359375	212.0
271.76531982421875	312.0
271.85101318359375	200.0
271.89276123046875	120.0
271.95263671875	176.0
272.0245361328125	268.0
272.0600280761719	168.0
272.128662109375	5648.0
272.1565246582031	51028.0
272.317138671875	192.0
272.3813781738281	144.0
272.41064453125	228.0
272.4706726074219	104.0
272.484130859375	236.0
272.55499267578125	188.0
272.59814453125	156.0
272.65814208984375	8732.0
272.7139587402344	192.0
272.775634765625	164.0
272.9242248535156	176.0
272.96160888671875	128.0
273.13232421875	1780.0
273.1577453613281	1356.0
273.28887939453125	100.0
273.37628173828125	268.0
273.4106140136719	160.0
273.4856872558594	108.0
273.6299743652344	144.0
273.6634216308594	452.0
273.7059631347656	100.0
273.7335205078125	184.0
273.77618408203125	100.0
273.8431396484375	160.0
273.9853515625	116.0
274.1397399902344	300.0
274.24298095703125	256.0
274.29559326171875	112.0
274.3290100097656	124.0
274.38519287109375	204.0
274.40740966796875	132.0
274.4789733886719	100.0
274.53594970703125	228.0
274.5600280761719	288.0
274.6585998535156	360.0
274.85333251953125	96.0
274.9620056152344	200.0
275.1473693847656	396.0
275.4632568359375	112.0
275.6141662597656	144.0
275.640869140625	388.0
275.7611999511719	136.0
276.1553955078125	900.0
276.6463928222656	256.0
276.94720458984375	160.0
277.0890197753906	196.0
277.1516418457031	396.0
277.561279296875	192.0
277.5973815917969	108.0
277.64984130859375	812.0
277.7496643066406	116.0
278.1536560058594	656.0
278.63507080078125	160.0
278.66241455078125	176.0
278.83935546875	164.0
278.8858947753906	148.0
279.096435546875	156.0
279.15277099609375	308.0
279.19085693359375	132.0
279.551025390625	184.0
279.6548767089844	376.0
280.139892578125	308.0
280.1639404296875	280.0
280.6586608886719	256.0
281.1334228515625	208.0
281.16131591796875	1092.0
281.6661376953125	1148.0
282.0256652832031	216.0
282.07098388671875	164.0
282.11895751953125	304.0
282.1702880859375	548.0
282.51385498046875	208.0
282.613525390625	188.0
282.6325378417969	348.0
282.66839599609375	188.0
283.1235046386719	248.0
283.1383056640625	344.0
283.1448669433594	340.0
283.1815490722656	592.0
283.2758483886719	116.0
283.63677978515625	272.0
284.13494873046875	696.0
284.1909484863281	288.0
284.6606750488281	372.0
285.1585388183594	936.0
285.5010070800781	156.0
285.6634826660156	328.0
285.9128112792969	156.0
286.0758972167969	160.0
286.1460876464844	248.0
286.439453125	136.0
286.65911865234375	280.0
287.0885314941406	160.0
287.13531494140625	152.0
287.18634033203125	184.0
287.6610107421875	304.0
287.80389404296875	192.0
288.1583557128906	408.0
288.6351318359375	172.0
288.6678771972656	240.0
289.1375732421875	156.0
289.1741638183594	116.0
289.66424560546875	536.0
290.1402282714844	248.0
290.6673278808594	128.0
291.15106201171875	444.0
291.182373046875	144.0
291.35333251953125	236.0
291.56842041015625	172.0
291.6541442871094	480.0
292.1141052246094	156.0
292.159912109375	500.0
292.55718994140625	144.0
292.668701171875	280.0
293.1293029785156	128.0
293.1673889160156	1344.0
293.6467590332031	280.0
293.67828369140625	144.0
293.8391418457031	100.0
294.1478576660156	680.0
294.18170166015625	636.0
294.29595947265625	208.0
294.6589050292969	348.0
295.1139221191406	388.0
295.1785888671875	1280.0
295.6473083496094	184.0
295.6728820800781	212.0
295.718017578125	200.0
296.1280212402344	344.0
296.1835021972656	460.0
296.22821044921875	176.0
296.65863037109375	224.0
296.69769287109375	196.0
297.1116943359375	156.0
297.1479797363281	508.0
297.224365234375	144.0
297.6412048339844	164.0
297.6652526855469	324.0
297.82666015625	140.0
298.1444091796875	812.0
298.21038818359375	148.0
298.6714172363281	172.0
299.149169921875	732.0
299.6498718261719	156.0
299.684326171875	212.0
300.039306640625	140.0
300.1233215332031	324.0
300.15386962890625	336.0
300.6665954589844	224.0
301.1335144042969	368.0
301.6341857910156	176.0
301.67938232421875	352.0
301.8070373535156	176.0
302.1402893066406	324.0
302.1681213378906	292.0
302.2186279296875	140.0
302.5543518066406	148.0
302.6649169921875	368.0
303.1719970703125	276.0
303.4065856933594	228.0
303.6560363769531	332.0
304.0621643066406	228.0
304.1142272949219	140.0
304.1684265136719	480.0
304.2982177734375	200.0
304.67938232421875	96.0
304.8956604003906	220.0
304.9488220214844	144.0
305.16253662109375	1036.0
305.3058776855469	160.0
305.66070556640625	176.0
305.7268371582031	212.0
305.9774475097656	160.0
306.09234619140625	156.0
306.14666748046875	304.0
306.1685791015625	624.0
306.646240234375	368.0
306.9825744628906	168.0
307.0855407714844	148.0
307.1424255371094	188.0
307.18414306640625	324.0
307.675048828125	208.0
308.0279541015625	172.0
308.1614990234375	456.0
308.67388916015625	180.0
308.870361328125	152.0
309.1012878417969	160.0
309.15606689453125	336.0
309.1932678222656	444.0
309.6712341308594	444.0
310.1675720214844	316.0
310.5937194824219	172.0
310.6781005859375	140.0
311.088623046875	148.0
311.156005859375	2536.0
311.2921447753906	168.0
311.3658752441406	216.0
311.6717224121094	540.0
312.08978271484375	296.0
312.12420654296875	168.0
312.164306640625	1156.0
312.6805114746094	176.0
312.8592224121094	148.0
313.1340637207031	348.0
313.17755126953125	592.0
313.5929260253906	176.0
313.6810607910156	164.0
314.11065673828125	296.0
314.1414489746094	136.0
314.1697692871094	448.0
314.9902038574219	208.0
315.1520080566406	696.0
315.6786804199219	176.0
316.10260009765625	156.0
316.1567687988281	128.0
316.1860046386719	760.0
316.67718505859375	296.0
317.04583740234375	200.0
317.1671142578125	656.0
317.4240417480469	156.0
317.681396484375	540.0
317.7159729003906	152.0
318.1392822265625	100.0
318.18218994140625	544.0
318.62481689453125	196.0
318.6840515136719	360.0
319.0299377441406	156.0
319.1322326660156	156.0
319.1920166015625	888.0
319.6920166015625	324.0
319.97271728515625	188.0
320.157470703125	204.0
320.1952209472656	332.0
320.414306640625	148.0
321.19000244140625	312.0
321.6231994628906	156.0
322.1355285644531	132.0
322.1813049316406	412.0
322.3682861328125	256.0
323.122802734375	124.0
323.17742919921875	956.0
323.6691589355469	148.0
323.7041931152344	160.0
323.9904479980469	168.0
324.1236572265625	288.0
324.1753845214844	588.0
324.2082824707031	120.0
324.3918151855469	156.0
324.6841735839844	416.0
324.9656066894531	152.0
325.1299743652344	480.0
325.1898193359375	3468.0
325.2597351074219	100.0
325.4178466796875	148.0
325.4716796875	232.0
325.55029296875	164.0
325.6938781738281	1780.0
325.84075927734375	116.0
326.098876953125	312.0
326.1428527832031	328.0
326.1972351074219	564.0
326.7015380859375	700.0
327.1109619140625	108.0
327.1485595703125	2544.0
327.1922302246094	308.0
327.4593505859375	200.0
328.1528625488281	1092.0
328.2156677246094	136.0
328.439453125	160.0
328.9422912597656	172.0
329.0505676269531	204.0
329.0991516113281	184.0
329.1630859375	2216.0
329.25640869140625	172.0
329.90411376953125	108.0
330.0581359863281	172.0
330.09478759765625	156.0
330.1378173828125	268.0
330.1734619140625	496.0
330.67266845703125	344.0
331.1743469238281	1436.0
331.6825866699219	656.0
331.89080810546875	184.0
332.19512939453125	1656.0
332.7004089355469	944.0
332.82330322265625	172.0
333.198974609375	332.0
333.6681213378906	124.0
333.69512939453125	176.0
334.0953674316406	140.0
334.158203125	116.0
334.2010498046875	276.0
334.69952392578125	184.0
335.12677001953125	144.0
335.171875	152.0
335.2070007324219	100.0
335.2860107421875	144.0
335.5156555175781	192.0
336.1446838378906	196.0
336.1716003417969	400.0
336.19384765625	200.0
336.66864013671875	164.0
336.81109619140625	148.0
337.13079833984375	372.0
337.19073486328125	1740.0
337.2495422363281	240.0
337.6849365234375	180.0
338.14013671875	312.0
338.1897888183594	384.0
338.27008056640625	168.0
338.7487487792969	128.0
338.9036560058594	168.0
338.9879150390625	172.0
339.1681823730469	896.0
339.4192810058594	124.0
339.6722412109375	708.0
340.11663818359375	312.0
340.1779479980469	5872.0
340.2371520996094	108.0
340.40533447265625	152.0
340.4427490234375	96.0
340.6821594238281	4460.0
340.9732971191406	152.0
341.08807373046875	124.0
341.1762390136719	2516.0
341.4315490722656	96.0
341.6020202636719	164.0
341.6855773925781	676.0
341.9957580566406	160.0
342.17327880859375	8572.0
342.2659912109375	168.0
342.74700927734375	196.0
342.7867736816406	192.0
342.83966064453125	108.0
343.1772155761719	4208.0
343.64666748046875	144.0
343.6983337402344	152.0
344.1814880371094	960.0
344.85052490234375	152.0
344.92327880859375	180.0
345.1869201660156	1132.0
345.2535095214844	168.0
345.36236572265625	176.0
345.68829345703125	412.0
346.0513000488281	184.0
346.1343994140625	148.0
346.1977233886719	5880.0
346.414306640625	148.0
346.5480651855469	128.0
346.69940185546875	2736.0
346.7813415527344	172.0
346.8257751464844	120.0
347.1939697265625	1016.0
347.6946105957031	168.0
347.99859619140625	152.0
348.1984558105469	288.0
348.9632263183594	108.0
349.19110107421875	232.0
350.1708984375	288.0
350.2217102050781	108.0
350.28533935546875	112.0
350.327392578125	164.0
350.6552734375	204.0
350.6813659667969	156.0
351.0488586425781	112.0
351.183837890625	276.0
351.2110290527344	252.0
351.3837585449219	112.0
351.5689697265625	164.0
351.6598205566406	132.0
351.6978454589844	172.0
351.8518981933594	196.0
352.1287536621094	204.0
352.1842956542969	552.0
352.5324401855469	140.0
352.58819580078125	96.0
352.6872253417969	208.0
352.8080139160156	116.0
352.9174499511719	144.0
353.06329345703125	176.0
353.1268005371094	412.0
353.18243408203125	1248.0
353.2585754394531	260.0
353.3213806152344	184.0
353.36322021484375	128.0
353.81707763671875	116.0
353.9501647949219	276.0
353.9974365234375	232.0
354.0673828125	228.0
354.1363830566406	392.0
354.1946105957031	10524.0
354.25225830078125	148.0
354.41680908203125	124.0
354.4436950683594	276.0
354.49700927734375	104.0
354.6064758300781	124.0
354.6959533691406	4928.0
354.75787353515625	260.0
354.83795166015625	284.0
354.8884582519531	160.0
354.9706115722656	140.0
355.0607604980469	304.0
355.1454772949219	1696.0
355.2027587890625	82700.0
355.3396301269531	184.0
355.4530029296875	220.0
355.52239990234375	216.0
355.6230773925781	116.0
355.7044372558594	38900.0
355.847900390625	176.0
355.9234924316406	224.0
355.95599365234375	136.0
356.0069274902344	276.0
356.0418395996094	204.0
356.08734130859375	260.0
356.1508483886719	1208.0
356.2048645019531	10816.0
356.2685546875	324.0
356.3114929199219	332.0
356.3680419921875	332.0
356.4272155761719	96.0
356.5169372558594	128.0
356.5831604003906	140.0
356.70599365234375	1308.0
356.8042297363281	156.0
356.88043212890625	100.0
357.1640319824219	1032.0
357.2090759277344	1368.0
357.3543395996094	200.0
357.4158935546875	112.0
357.7035217285156	196.0
357.87017822265625	168.0
358.1178894042969	292.0
358.1558837890625	348.0
358.1917724609375	244.0
358.2750244140625	120.0
358.4378356933594	96.0
358.4954528808594	168.0
358.5392150878906	104.0
358.6285400390625	140.0
358.6783752441406	260.0
358.7648620605469	128.0
358.8939514160156	128.0
358.95904541015625	212.0
359.0332946777344	208.0
359.07196044921875	176.0
359.1365966796875	316.0
359.18731689453125	856.0
359.4429016113281	128.0
359.4715576171875	172.0
359.6991882324219	400.0
360.1538391113281	180.0
360.1946105957031	2444.0
360.2839050292969	156.0
360.5181579589844	192.0
360.69708251953125	2180.0
360.9204406738281	124.0
361.15704345703125	180.0
361.1960754394531	680.0
361.64141845703125	164.0
361.6955261230469	176.0
361.7979431152344	180.0
362.1623840332031	276.0
362.2042541503906	284.0
362.2320861816406	204.0
362.2964782714844	144.0
362.6438903808594	176.0
362.6981506347656	200.0
362.74444580078125	152.0
362.8308410644531	168.0
362.9129943847656	160.0
363.1482849121094	220.0
363.2026062011719	272.0
363.3807678222656	224.0
363.7131652832031	168.0
363.8437805175781	172.0
363.9956359863281	156.0
364.1377868652344	132.0
364.18182373046875	184.0
364.5929870605469	116.0
364.785888671875	152.0
365.1863098144531	576.0
365.27642822265625	140.0
365.3182678222656	144.0
365.9804992675781	180.0
366.1387939453125	160.0
366.171630859375	128.0
366.20880126953125	248.0
366.2699279785156	152.0
366.3953857421875	136.0
366.7452392578125	172.0
366.9532775878906	112.0
367.0918273925781	168.0
367.1472473144531	868.0
367.1976013183594	928.0
367.3753356933594	276.0
367.476318359375	132.0
367.70147705078125	3196.0
367.7674255371094	172.0
368.1556091308594	420.0
368.2013854980469	1552.0
368.4804992675781	100.0
368.70751953125	23360.0
369.0045471191406	252.0
369.0443420410156	144.0
369.1080627441406	96.0
369.1579284667969	2412.0
369.2088623046875	12604.0
369.26763916015625	272.0
369.3484191894531	320.0
369.7028503417969	4888.0
369.8572692871094	112.0
370.021240234375	180.0
370.066650390625	104.0
370.164306640625	728.0
370.19744873046875	1984.0
370.4549865722656	128.0
370.55145263671875	108.0
370.6442565917969	212.0
370.6990966796875	496.0
370.779296875	184.0
370.83013916015625	124.0
371.0970153808594	232.0
371.1739501953125	4604.0
371.25592041015625	220.0
371.28631591796875	148.0
371.4316711425781	204.0
371.64263916015625	168.0
371.6771545410156	148.0
371.717529296875	156.0
371.7976989746094	160.0
371.8304138183594	164.0
371.9384460449219	128.0
372.0312805175781	112.0
372.1040954589844	168.0
372.1782531738281	1464.0
372.2494812011719	132.0
372.44244384765625	212.0
372.7027893066406	284.0
372.7541198730469	96.0
372.92144775390625	104.0
373.06817626953125	168.0
373.18170166015625	572.0
373.2428894042969	184.0
373.2882995605469	168.0
373.4249572753906	196.0
373.4676513671875	212.0
373.64288330078125	200.0
373.6934814453125	108.0
373.75286865234375	116.0
373.7904357910156	228.0
373.8247375488281	168.0
373.86566162109375	244.0
374.0075988769531	144.0
374.0899658203125	180.0
374.1625061035156	1260.0
374.2897033691406	100.0
374.31903076171875	160.0
374.3642578125	96.0
374.39501953125	268.0
374.5834655761719	132.0
374.6395568847656	112.0
374.76751708984375	232.0
374.8118896484375	152.0
374.8857116699219	112.0
374.9165954589844	112.0
374.95050048828125	176.0
375.0097961425781	192.0
375.07745361328125	168.0
375.1696472167969	1112.0
375.2694091796875	120.0
375.3370056152344	128.0
375.3739318847656	316.0
375.4178466796875	168.0
375.44720458984375	452.0
375.4853820800781	96.0
375.5216064453125	112.0
375.6023864746094	464.0
375.6969909667969	2904.0
375.80804443359375	232.0
375.8443298339844	308.0
375.9231262207031	96.0
375.9534606933594	304.0
376.0181884765625	392.0
376.0613708496094	272.0
376.1995849609375	1232.0
376.2818298339844	144.0
376.3226318359375	148.0
376.39306640625	248.0
376.4112854003906	264.0
376.4410705566406	232.0
376.4987487792969	232.0
376.5960998535156	232.0
376.63665771484375	408.0
376.70587158203125	86328.0
376.7839050292969	212.0
376.8260192871094	260.0
376.85174560546875	360.0
376.9198913574219	320.0
376.966552734375	592.0
377.0374755859375	400.0
377.0810241699219	272.0
377.10845947265625	748.0
377.20733642578125	46600.0
377.2734375	512.0
377.3526611328125	440.0
377.3985900878906	336.0
377.42718505859375	352.0
377.4695129394531	356.0
377.547607421875	820.0
377.6116027832031	1008.0
377.6649169921875	1768.0
377.7158203125	231352.0
377.8426208496094	336.0
377.8595275878906	244.0
377.91143798828125	164.0
377.97857666015625	776.0
378.0111083984375	668.0
378.07257080078125	2028.0
378.13665771484375	856.0
378.1627502441406	720.0
378.2166442871094	206932.0
378.3089294433594	184.0
378.3611145019531	5312.0
378.403564453125	320.0
378.4435729980469	184.0
378.47021484375	284.0
378.5036315917969	248.0
378.5638122558594	376.0
378.6474304199219	960.0
378.71685791015625	90900.0
378.80841064453125	480.0
378.85498046875	1520.0
378.9046936035156	468.0
378.95660400390625	424.0
379.0069580078125	352.0
379.0374755859375	344.0
379.113037109375	280.0
379.2165222167969	17140.0
379.353271484375	252.0
379.48553466796875	248.0
379.5677185058594	324.0
379.605224609375	276.0
379.6451721191406	412.0
379.658447265625	340.0
379.71728515625	3080.0
379.80548095703125	180.0
379.8634338378906	296.0
379.9155578613281	212.0
379.9926452636719	264.0
380.0624084472656	252.0
380.10308837890625	216.0
380.1573181152344	340.0
380.216552734375	428.0
380.2856750488281	336.0
380.3798522949219	236.0
380.435546875	164.0
380.4634704589844	212.0
380.5443115234375	344.0
380.572021484375	304.0
380.63812255859375	272.0
380.71893310546875	312.0
380.7880554199219	296.0
380.83294677734375	200.0
380.8480224609375	468.0
380.89202880859375	216.0
380.9631042480469	248.0
381.0162048339844	336.0
381.04840087890625	508.0
381.0946044921875	216.0
381.1255187988281	568.0
381.164794921875	588.0
381.2114562988281	760.0
381.2836608886719	652.0
381.2986755371094	204.0
381.3135986328125	288.0
381.3544616699219	412.0
381.4034729003906	156.0
381.4438171386719	304.0
381.4928894042969	176.0
381.5061340332031	200.0
381.5522155761719	316.0
381.59423828125	256.0
381.6429443359375	212.0
381.7012634277344	188.0
381.7538757324219	140.0
381.85302734375	396.0
381.9363098144531	200.0
381.9490966796875	160.0
382.04473876953125	292.0
382.1161804199219	208.0
382.2225036621094	360.0
382.3047790527344	156.0
382.37811279296875	208.0
382.58721923828125	132.0
382.641845703125	204.0
382.70599365234375	404.0
382.8062744140625	108.0
382.9393005371094	156.0
383.01739501953125	152.0
383.1784362792969	220.0
383.1874084472656	360.0
383.21966552734375	316.0
383.713623046875	232.0
384.1734924316406	136.0
384.2166442871094	372.0
384.29620361328125	148.0
384.5068664550781	120.0
384.6202392578125	216.0
384.7081298828125	684.0
384.79925537109375	112.0
384.9494323730469	172.0
385.07574462890625	148.0
385.1552429199219	468.0
385.21240234375	292.0
385.2678527832031	124.0
385.6212463378906	172.0
385.6709899902344	116.0
385.7123718261719	300.0
385.9246826171875	100.0
386.1318664550781	124.0
386.1665344238281	376.0
386.2165222167969	248.0
386.4507141113281	136.0
386.70172119140625	348.0
386.78045654296875	140.0
386.90478515625	120.0
386.9540710449219	104.0
387.167724609375	1032.0
387.2193603515625	304.0
387.6463928222656	108.0
387.683837890625	260.0
387.7230224609375	228.0
388.1770935058594	588.0
388.283447265625	112.0
388.8158264160156	136.0
389.1792907714844	628.0
390.1908264160156	340.0
390.4693603515625	104.0
390.51446533203125	148.0
390.8904724121094	124.0
391.0709533691406	100.0
391.1756286621094	128.0
391.21319580078125	256.0
391.6086120605469	200.0
391.72906494140625	104.0
391.86175537109375	172.0
391.9656677246094	108.0
391.9994812011719	148.0
392.10272216796875	140.0
392.19964599609375	252.0
392.7022705078125	216.0
392.7356872558594	280.0
392.78912353515625	112.0
393.0482177734375	116.0
393.2101135253906	796.0
393.5856018066406	124.0
393.7051086425781	208.0
393.8157653808594	100.0
394.1496276855469	160.0
394.3033142089844	168.0
394.372314453125	112.0
394.5267639160156	112.0
394.675048828125	96.0
394.78759765625	96.0
395.0218200683594	148.0
395.1448974609375	164.0
395.19818115234375	112.0
395.236328125	588.0
395.3132629394531	104.0
395.7410583496094	96.0
396.1715393066406	160.0
396.222412109375	288.0
396.6307373046875	96.0
396.6765441894531	112.0
397.1686096191406	248.0
397.1985168457031	444.0
397.7132568359375	140.0
398.1261291503906	152.0
398.1885986328125	352.0
398.2308654785156	464.0
398.7205505371094	432.0
398.99993896484375	120.0
399.10919189453125	124.0
399.1704406738281	320.0
399.22283935546875	1704.0
399.3081359863281	172.0
399.72247314453125	160.0
400.17254638671875	496.0
400.2339172363281	640.0
400.9628601074219	236.0
401.0458068847656	168.0
401.1834716796875	800.0
401.2354736328125	244.0
401.9944152832031	152.0
402.18890380859375	528.0
402.24853515625	128.0
402.39404296875	96.0
402.44677734375	160.0
403.1554260253906	208.0
403.202392578125	1348.0
403.27984619140625	112.0
403.65765380859375	100.0
404.1277770996094	112.0
404.2106628417969	452.0
405.180908203125	196.0
405.2174987792969	256.0
406.21868896484375	140.0
406.7062683105469	140.0
407.14666748046875	144.0
407.2126770019531	132.0
408.2046203613281	420.0
409.17437744140625	368.0
409.1865539550781	168.0
409.2009582519531	372.0
410.1480712890625	228.0
410.18707275390625	236.0
410.2287292480469	304.0
410.2379150390625	388.0
411.1840515136719	236.0
411.22955322265625	524.0
412.193359375	116.0
412.2557678222656	316.0
412.3450012207031	144.0
413.1383972167969	164.0
413.1727600097656	152.0
413.24566650390625	1032.0
414.1848449707031	156.0
414.4234619140625	224.0
415.1601257324219	176.0
415.19964599609375	248.0
415.2616271972656	164.0
415.3280029296875	180.0
415.38983154296875	216.0
416.095947265625	144.0
416.1730041503906	148.0
417.1763916015625	212.0
417.2088317871094	300.0
417.4171142578125	196.0
417.99407958984375	144.0
418.15399169921875	188.0
418.2040710449219	116.0
418.8028259277344	116.0
419.1395568847656	124.0
419.184814453125	144.0
419.23681640625	156.0
419.69134521484375	164.0
420.2233581542969	288.0
421.2117004394531	872.0
422.2149353027344	264.0
423.18505859375	168.0
423.21728515625	272.0
423.2474365234375	240.0
424.19244384765625	272.0
424.2257080078125	216.0
424.25994873046875	256.0
424.4726257324219	156.0
425.10845947265625	144.0
425.1992492675781	380.0
425.23846435546875	152.0
426.1783142089844	148.0
426.23895263671875	232.0
426.44317626953125	176.0
426.82958984375	164.0
427.1993408203125	344.0
427.75787353515625	104.0
428.1546630859375	144.0
428.1992492675781	228.0
428.26055908203125	244.0
429.2508239746094	244.0
430.13214111328125	136.0
430.2113952636719	164.0
430.27825927734375	140.0
431.19085693359375	300.0
431.2164306640625	324.0
431.27166748046875	120.0
432.23291015625	288.0
433.1812744140625	252.0
433.22650146484375	428.0
434.2119140625	272.0
435.1814270019531	188.0
435.2397766113281	444.0
435.30352783203125	148.0
435.6536560058594	140.0
436.04840087890625	172.0
436.2098388671875	252.0
436.2437438964844	276.0
436.3957214355469	116.0
437.2134094238281	284.0
437.2470703125	228.0
438.2269592285156	144.0
438.2445373535156	104.0
438.2708740234375	324.0
439.2220764160156	1284.0
440.1684265136719	312.0
440.2239990234375	424.0
441.222412109375	364.0
441.270751953125	144.0
442.2304992675781	128.0
442.2763977050781	164.0
442.8951721191406	192.0
443.1792907714844	152.0
443.2302551269531	112.0
444.2427978515625	144.0
446.2099914550781	200.0
446.2784118652344	148.0
447.16522216796875	164.0
447.2396240234375	324.0
447.4276123046875	188.0
448.1918640136719	116.0
448.2616271972656	216.0
449.2112121582031	564.0
449.25396728515625	156.0
449.4095458984375	116.0
450.2585144042969	244.0
451.2003173828125	132.0
451.2535400390625	356.0
451.9944763183594	100.0
452.1853332519531	156.0
452.2206726074219	148.0
452.2702331542969	556.0
453.2276611328125	152.0
453.2737121582031	324.0
454.189208984375	176.0
454.2419128417969	100.0
455.2264709472656	280.0
455.2569885253906	140.0
456.2408142089844	212.0
457.2342224121094	160.0
458.2131652832031	152.0
458.2442932128906	264.0
458.42620849609375	188.0
460.2535095214844	128.0
461.2160339355469	140.0
461.3515319824219	180.0
462.2217712402344	132.0
462.2629089355469	412.0
462.3636169433594	144.0
463.2396240234375	284.0
463.3484802246094	144.0
464.23431396484375	372.0
464.2674560546875	556.0
465.2413330078125	464.0
465.2765808105469	240.0
466.2350769042969	568.0
467.24322509765625	284.0
468.2356262207031	360.0
468.25152587890625	180.0
469.23773193359375	132.0
470.2724609375	484.0
471.1101989746094	108.0
471.2720947265625	188.0
471.32781982421875	136.0
472.28082275390625	176.0
473.245849609375	152.0
473.2804870605469	184.0
473.51104736328125	116.0
474.267333984375	116.0
475.2424621582031	392.0
475.28302001953125	144.0
476.2178649902344	276.0
476.28363037109375	164.0
477.2322082519531	320.0
478.24761962890625	708.0
478.8999328613281	156.0
479.244140625	380.0
480.22259521484375	624.0
480.2647399902344	184.0
481.23223876953125	120.0
481.2944641113281	1192.0
482.2052917480469	320.0
482.24334716796875	404.0
482.2944641113281	328.0
483.2532653808594	320.0
483.2878112792969	108.0
484.2401123046875	504.0
484.2921142578125	428.0
485.2520446777344	372.0
485.28729248046875	184.0
485.5782775878906	248.0
487.1949768066406	124.0
487.227294921875	136.0
488.2446594238281	124.0
489.2349548339844	264.0
489.27960205078125	100.0
490.235595703125	176.0
491.2471618652344	140.0
492.2535095214844	572.0
493.21673583984375	156.0
493.26898193359375	308.0
494.24066162109375	388.0
495.2590026855469	320.0
496.2547607421875	524.0
497.2793273925781	124.0
497.722900390625	212.0
497.96112060546875	124.0
498.27850341796875	532.0
498.6602478027344	168.0
499.30389404296875	452.0
500.30352783203125	244.0
501.30401611328125	128.0
502.21990966796875	160.0
503.9095458984375	156.0
504.3849792480469	184.0
505.2419738769531	120.0
505.27850341796875	140.0
506.2725524902344	128.0
507.2659606933594	148.0
508.251708984375	252.0
509.2816162109375	436.0
510.2747497558594	612.0
511.2794189453125	560.0
511.9386291503906	156.0
512.2908325195312	760.0
512.9568481445312	200.0
513.2557983398438	220.0
513.2954711914062	296.0
514.2688598632812	1688.0
515.2250366210938	100.0
515.2767333984375	904.0
515.8367919921875	164.0
516.2839965820312	8020.0
516.8960571289062	100.0
517.1876220703125	144.0
517.2340087890625	248.0
517.2884521484375	3492.0
517.9562377929688	124.0
518.2879638671875	568.0
518.4461059570312	176.0
518.49365234375	148.0
519.2872314453125	96.0
520.2786865234375	120.0
521.2562255859375	152.0
521.6390991210938	140.0
522.2443237304688	152.0
522.2786865234375	432.0
522.3582153320312	140.0
523.272216796875	400.0
523.7015380859375	96.0
524.1467895507812	212.0
524.2923583984375	1468.0
525.2957153320312	684.0
526.267822265625	528.0
526.3453369140625	112.0
526.5536499023438	164.0
527.124755859375	96.0
527.2689819335938	216.0
528.2815551757812	1660.0
528.527587890625	116.0
529.1942138671875	128.0
529.2940063476562	1804.0
529.3622436523438	212.0
530.1959228515625	256.0
530.3018798828125	11980.0
530.4649047851562	148.0
530.5601196289062	140.0
531.3031005859375	5968.0
531.646240234375	220.0
532.3026733398438	852.0
533.3092041015625	132.0
533.9280395507812	192.0
534.1626586914062	116.0
534.240966796875	156.0
534.3823852539062	132.0
535.198974609375	136.0
536.194580078125	216.0
536.2470703125	300.0
537.0198364257812	140.0
537.1265869140625	164.0
537.2374267578125	96.0
537.2752075195312	100.0
538.2701416015625	768.0
538.90869140625	112.0
539.2904052734375	216.0
539.8369750976562	140.0
540.284423828125	376.0
540.785400390625	140.0
541.3167114257812	3828.0
541.4208374023438	124.0
541.8430786132812	128.0
542.2368774414062	116.0
542.3072509765625	3924.0
543.3042602539062	704.0
543.711669921875	112.0
543.9545288085938	100.0
543.9855346679688	152.0
544.3133544921875	488.0
545.0518798828125	140.0
545.318603515625	176.0
545.6212768554688	100.0
546.2694702148438	128.0
547.2053833007812	148.0
547.9020385742188	96.0
548.248291015625	148.0
549.2550659179688	152.0
549.3277587890625	152.0
550.3267211914062	144.0
551.3021850585938	280.0
553.3118286132812	280.0
554.2653198242188	120.0
554.3143920898438	140.0
555.2727661132812	152.0
556.302978515625	148.0
556.9762573242188	116.0
557.3125	680.0
557.3690795898438	156.0
557.8344116210938	152.0
558.3041381835938	168.0
559.2642211914062	584.0
559.32763671875	2140.0
560.00390625	100.0
560.2453002929688	116.0
560.328125	1276.0
560.4133911132812	156.0
560.485107421875	176.0
560.6456909179688	120.0
561.2826538085938	4464.0
561.4747924804688	96.0
562.2828979492188	2004.0
562.5257568359375	128.0
563.2849731445312	508.0
563.5588989257812	100.0
564.6665649414062	148.0
566.2733764648438	96.0
567.3194580078125	128.0
568.3244018554688	288.0
569.1036376953125	96.0
569.31591796875	416.0
570.3035888671875	296.0
571.299072265625	208.0
571.3419799804688	236.0
572.3264770507812	156.0
574.26953125	104.0
574.324951171875	172.0
577.3184814453125	132.0
577.7530517578125	104.0
579.943603515625	104.0
580.2570190429688	280.0
580.7173461914062	160.0
581.3458251953125	156.0
582.3588256835938	148.0
583.2092895507812	156.0
583.2850341796875	228.0
583.3130493164062	144.0
584.2767944335938	164.0
584.3267822265625	124.0
585.3206787109375	264.0
586.3190307617188	180.0
587.2968139648438	216.0
588.3118286132812	564.0
589.3037109375	248.0
590.252685546875	176.0
591.2069702148438	128.0
591.3438110351562	404.0
592.3358764648438	152.0
596.2588500976562	168.0
599.963134765625	140.0
600.3970947265625	148.0
601.2981567382812	116.0
605.344970703125	124.0
606.368896484375	144.0
608.318603515625	120.0
609.3374633789062	348.0
609.8328857421875	140.0
610.27001953125	156.0
610.3533325195312	156.0
612.3505249023438	156.0
613.2952880859375	140.0
613.360595703125	176.0
614.5375366210938	104.0
615.3162231445312	112.0
616.3151245117188	120.0
619.314208984375	132.0
630.5768432617188	144.0
635.3113403320312	100.0
637.37890625	124.0
638.3784790039062	156.0
639.7953491210938	104.0
640.5056762695312	100.0
646.2525024414062	100.0
647.4077758789062	148.0
649.3589477539062	160.0
649.3977661132812	124.0
651.305419921875	96.0
651.374267578125	160.0
652.5516357421875	176.0
660.4061889648438	96.0
662.3475952148438	108.0
663.3612670898438	108.0
665.0123291015625	144.0
680.3817749023438	212.0
697.4803466796875	124.0
699.6131591796875	144.0
707.531982421875	144.0
711.4761962890625	144.0
733.4141845703125	184.0
739.4057006835938	200.0
776.4706420898438	124.0
786.590087890625	140.0
788.1155395507812	112.0
833.7236938476562	144.0
881.3335571289062	108.0
894.6093139648438	216.0
904.2611694335938	168.0
941.9136962890625	148.0
1046.2164306640625	112.0
1112.7294921875	152.0
1114.8284912109375	188.0
1135.292724609375	148.0
1135.5311279296875	156.0
1144.5494384765625	192.0
1166.36083984375	144.0
1213.140869140625	116.0
1285.81787109375	140.0
1327.885498046875	192.0
1331.0640869140625	148.0
1341.7742919921875	208.0
1353.71337890625	172.0
1370.424072265625	172.0
1375.88916015625	156.0
1381.7977294921875	124.0
1400.6351318359375	196.0
1440.4215087890625	148.0
1485.440673828125	176.0
1521.456298828125	204.0
1539.0206298828125	148.0
1541.9344482421875	156.0
1559.1605224609375	152.0
1566.288818359375	192.0
1570.7344970703125	144.0
1574.1597900390625	208.0
1598.9493408203125	180.0
1616.1219482421875	140.0
1616.330078125	176.0
1627.2628173828125	164.0
1659.5279541015625	164.0
1660.6146240234375	156.0
1661.7340087890625	148.0
1666.3211669921875	204.0
1674.81396484375	152.0
1675.9544677734375	140.0
1681.8343505859375	188.0
1697.2060546875	200.0
1708.72119140625	176.0
1739.3472900390625	236.0
1749.8883056640625	196.0
1754.4288330078125	204.0
1755.0791015625	200.0
1782.50927734375	228.0
1788.833984375	188.0
1796.8568115234375	216.0
1805.151123046875	168.0
1808.5098876953125	188.0
1812.625732421875	156.0
1820.608154296875	160.0
1823.70068359375	164.0
1855.9532470703125	184.0
1857.599853515625	144.0
1860.0797119140625	144.0
1869.1295166015625	156.0
1871.6170654296875	152.0
1879.6075439453125	212.0
1889.62158203125	184.0
1903.0035400390625	200.0
1903.793701171875	208.0
1903.9847412109375	148.0
1909.486083984375	148.0
1911.7305908203125	156.0
1915.0911865234375	140.0
1916.61572265625	160.0
1917.2518310546875	188.0
1918.5853271484375	168.0
1921.2801513671875	208.0
1928.1170654296875	140.0
1928.71142578125	152.0
1929.4805908203125	208.0
1934.67724609375	200.0
1945.5301513671875	192.0
1949.480224609375	164.0
1951.6802978515625	208.0
1966.7535400390625	164.0
1968.4486083984375	160.0
1977.2357177734375	196.0
2001.39013671875	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079214
PEPMASS=754.425537
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=40.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=VINDESINE SULFATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC[C@]1(O)C[C@H]2CN(C1)CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@@H]7[C@@]86CCN9CC=C[C@](CC)([C@H]98)[C@@H](O)[C@]7(O)C(=O)N
INCHI=InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1
INCHIAUX=HHJUWIANJFBDHT-KOTLKJBCSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079214
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079214
SCANS=1038
53.11588668823242	196.0
64.9091796875	196.0
97.6781234741211	180.0
105.08976745605469	160.0
112.23409271240234	156.0
117.07148742675781	148.0
122.0967025756836	168.0
124.11154174804688	1392.0
126.1298599243164	188.0
128.1090545654297	184.0
134.10275268554688	152.0
136.11160278320312	324.0
138.0957794189453	204.0
138.12384033203125	152.0
140.1071014404297	352.0
144.0786895751953	512.0
145.0814208984375	164.0
150.09625244140625	148.0
151.1710662841797	168.0
152.10826110839844	184.0
154.1262664794922	324.0
156.13858032226562	120.0
157.1435546875	140.0
158.0973358154297	188.0
158.1831817626953	144.0
164.10000610351562	340.0
166.1211395263672	172.0
168.0576171875	160.0
168.08084106445312	144.0
169.08090209960938	192.0
170.00608825683594	168.0
170.05538940429688	176.0
171.09033203125	136.0
175.09886169433594	156.0
179.17550659179688	140.0
181.14434814453125	156.0
182.1145782470703	160.0
184.9951934814453	204.0
186.1529083251953	192.0
188.1077423095703	156.0
190.08377075195312	148.0
195.09185791015625	112.0
196.0738067626953	140.0
200.07057189941406	124.0
200.11598205566406	196.0
202.08319091796875	164.0
202.11767578125	300.0
207.1138153076172	268.0
208.12298583984375	168.0
209.12710571289062	1108.0
210.13485717773438	224.0
211.14234924316406	188.0
212.13021850585938	576.0
214.09022521972656	272.0
214.12265014648438	500.0
215.47410583496094	152.0
216.10406494140625	156.0
216.43637084960938	164.0
223.09547424316406	140.0
224.11927795410156	148.0
225.12374877929688	264.0
226.1197052001953	144.0
226.14468383789062	216.0
228.1024169921875	140.0
229.09976196289062	168.0
230.1160430908203	204.0
235.11448669433594	184.0
236.12571716308594	144.0
237.12379455566406	140.0
238.09762573242188	152.0
238.1424102783203	200.0
239.13241577148438	156.0
240.09982299804688	256.0
240.1435546875	156.0
242.18292236328125	160.0
248.1353302001953	132.0
249.1612091064453	156.0
251.2106170654297	196.0
252.09466552734375	140.0
252.12161254882812	124.0
253.1294403076172	172.0
254.11453247070312	128.0
254.1313934326172	272.0
263.1277160644531	212.0
265.1706848144531	248.0
266.1679382324219	360.0
274.1169128417969	164.0
277.178955078125	188.0
278.1727294921875	132.0
279.17779541015625	160.0
279.98046875	140.0
281.1651611328125	592.0
282.1678466796875	220.0
283.1756591796875	704.0
288.1382751464844	152.0
293.1729431152344	128.0
294.171142578125	176.0
295.1763610839844	728.0
296.13916015625	164.0
297.19586181640625	264.0
298.2007751464844	176.0
303.1431579589844	188.0
304.91998291015625	160.0
305.1653747558594	164.0
306.14208984375	188.0
307.1716613769531	220.0
308.165771484375	180.0
309.2027587890625	280.0
311.1517028808594	152.0
312.1597900390625	132.0
321.1611022949219	456.0
323.1740417480469	1548.0
324.1770324707031	492.0
325.18450927734375	204.0
331.17877197265625	160.0
331.62615966796875	140.0
333.1521911621094	152.0
334.4992980957031	236.0
335.1830749511719	180.0
335.4463806152344	204.0
336.1758117675781	160.0
337.1932373046875	1292.0
338.1566162109375	164.0
338.19342041015625	468.0
341.1901550292969	324.0
353.1877746582031	2596.0
354.19122314453125	492.0
354.62823486328125	200.0
355.1231689453125	168.0
355.2020263671875	5324.0
356.2037353515625	1028.0
357.177734375	148.0
357.2116394042969	216.0
358.211181640625	108.0
361.1911315917969	140.0
362.1790466308594	144.0
365.1889343261719	144.0
366.18536376953125	100.0
367.2014465332031	224.0
368.2161865234375	144.0
369.1819763183594	204.0
370.234375	144.0
371.17706298828125	216.0
379.2032775878906	128.0
381.2323303222656	164.0
382.21905517578125	160.0
383.24285888671875	128.0
386.18829345703125	196.0
393.1856384277344	148.0
394.1612548828125	260.0
395.2347412109375	148.0
398.200439453125	200.0
399.2303466796875	188.0
400.2292175292969	120.0
402.1833190917969	140.0
405.0582580566406	172.0
408.257080078125	160.0
411.39984130859375	220.0
412.22235107421875	2112.0
413.2225646972656	228.0
415.2569885253906	196.0
420.8636474609375	144.0
423.33343505859375	192.0
424.2184143066406	284.0
425.20513916015625	152.0
426.2292785644531	272.0
427.2151184082031	136.0
427.242919921875	156.0
428.2160339355469	124.0
430.2245178222656	164.0
432.22613525390625	124.0
438.20806884765625	168.0
439.236083984375	100.0
439.4671936035156	228.0
440.1976623535156	164.0
440.2408142089844	156.0
442.2715148925781	248.0
446.85382080078125	140.0
447.2872619628906	176.0
452.2254638671875	164.0
456.1964416503906	108.0
458.2642822265625	156.0
460.6875305175781	180.0
464.2785949707031	108.0
464.5102233886719	160.0
465.9783935546875	164.0
470.2275695800781	416.0
471.2213439941406	300.0
471.30072021484375	140.0
472.248046875	128.0
476.248046875	124.0
479.26568603515625	136.0
480.2658386230469	400.0
481.26580810546875	160.0
482.2797546386719	224.0
483.2347106933594	180.0
484.24542236328125	360.0
485.25543212890625	148.0
488.26165771484375	156.0
490.2735595703125	184.0
492.26287841796875	152.0
494.26739501953125	1036.0
495.1863098144531	144.0
495.2741394042969	160.0
496.54693603515625	140.0
497.19464111328125	164.0
498.2425537109375	192.0
504.2625732421875	148.0
507.2883605957031	172.0
507.9744567871094	184.0
508.2806701660156	248.0
509.2670593261719	144.0
510.26654052734375	336.0
511.26373291015625	184.0
512.2926025390625	256.0
513.283935546875	156.0
515.2122802734375	136.0
516.2540283203125	196.0
520.3125610351562	204.0
521.30908203125	124.0
522.2807006835938	432.0
523.2739868164062	132.0
524.2868041992188	740.0
524.348876953125	160.0
526.2933349609375	280.0
527.293701171875	192.0
528.2764892578125	200.0
530.2867431640625	108.0
531.3040771484375	132.0
533.3179931640625	232.0
534.2874145507812	128.0
536.2289428710938	172.0
536.270263671875	160.0
537.2689208984375	140.0
538.31005859375	148.0
539.3052978515625	332.0
540.2874145507812	576.0
540.7344970703125	148.0
541.2745971679688	248.0
541.3067016601562	216.0
542.2962646484375	1080.0
542.6429443359375	104.0
543.303955078125	512.0
544.2998657226562	388.0
545.3074340820312	144.0
546.2869873046875	224.0
547.3035278320312	100.0
548.30859375	104.0
551.2621459960938	148.0
552.3153076171875	176.0
553.2745971679688	148.0
553.3334350585938	232.0
553.7381591796875	224.0
554.2744750976562	124.0
555.9697265625	140.0
562.3043212890625	148.0
562.3373413085938	176.0
566.3053588867188	112.0
568.3052368164062	104.0
569.3202514648438	128.0
570.316162109375	132.0
571.2882080078125	148.0
571.334716796875	380.0
572.3362426757812	148.0
576.3738403320312	156.0
578.3284301757812	132.0
579.3164672851562	148.0
582.1378784179688	164.0
583.5794067382812	172.0
585.3079223632812	116.0
587.3316040039062	104.0
589.3004760742188	152.0
591.3054809570312	128.0
591.37060546875	100.0
593.26416015625	144.0
593.3120727539062	228.0
595.31884765625	216.0
596.3319091796875	188.0
600.3434448242188	144.0
601.3143310546875	172.0
602.3511352539062	120.0
605.3115234375	116.0
605.3446044921875	196.0
606.329345703125	104.0
609.2860717773438	364.0
609.3233642578125	344.0
610.3345336914062	268.0
611.3381958007812	452.0
612.3161010742188	144.0
613.3209838867188	100.0
615.9807739257812	144.0
618.70556640625	148.0
622.318359375	96.0
623.3480224609375	280.0
624.33056640625	148.0
625.3272705078125	140.0
626.3629760742188	140.0
629.3472900390625	144.0
629.8046264648438	140.0
632.3695678710938	152.0
633.3668212890625	328.0
634.3736572265625	156.0
637.369384765625	96.0
641.3421020507812	240.0
643.3123779296875	144.0
645.3584594726562	156.0
645.8692016601562	152.0
647.3495483398438	220.0
648.3768920898438	124.0
649.369140625	692.0
650.380859375	868.0
651.3856811523438	1552.0
652.3848266601562	716.0
653.4114379882812	324.0
653.541015625	140.0
656.0811157226562	148.0
658.0146484375	152.0
658.3363647460938	164.0
659.3386840820312	120.0
661.3860473632812	264.0
662.3547973632812	212.0
663.374755859375	144.0
670.3196411132812	156.0
673.3775634765625	568.0
674.3827514648438	192.0
675.3740234375	240.0
677.3885498046875	108.0
681.1066284179688	156.0
681.3758544921875	140.0
683.8883666992188	184.0
684.3673095703125	164.0
689.1188354492188	152.0
689.3756103515625	108.0
690.3548583984375	112.0
691.3797607421875	856.0
692.3148193359375	152.0
692.3800048828125	320.0
693.3792724609375	120.0
694.3999633789062	664.0
695.3941040039062	260.0
701.3657836914062	112.0
704.3796997070312	204.0
705.2890625	148.0
705.393798828125	128.0
706.375732421875	228.0
707.3760375976562	128.0
709.393798828125	2792.0
710.1443481445312	176.0
710.1887817382812	172.0
710.399658203125	1152.0
710.773193359375	156.0
711.398681640625	320.0
717.3701782226562	204.0
718.3817749023438	196.0
719.3822021484375	552.0
720.3726806640625	344.0
721.3688354492188	128.0
722.394775390625	152.0
730.5548706054688	152.0
734.1851196289062	144.0
734.3870239257812	352.0
735.3884887695312	252.0
735.9630737304688	132.0
736.4066162109375	1928.0
737.4140014648438	1108.0
738.2922973632812	164.0
738.3985595703125	132.0
739.4280395507812	216.0
740.300537109375	108.0
742.2929077148438	148.0
746.0919189453125	168.0
747.45166015625	144.0
751.1773071289062	104.0
751.4258422851562	188.0
751.7269287109375	116.0
751.8910522460938	116.0
752.1580810546875	144.0
752.31103515625	192.0
752.401123046875	6100.0
752.6055908203125	104.0
752.733642578125	140.0
753.2722778320312	152.0
753.4044799804688	3880.0
753.602294921875	100.0
753.6950073242188	160.0
753.7933349609375	148.0
753.9298706054688	128.0
754.2578735351562	252.0
754.41650390625	23792.0
755.218017578125	136.0
755.2784423828125	180.0
755.4200439453125	12600.0
755.5388793945312	252.0
755.5999755859375	104.0
755.8453369140625	208.0
756.4240112304688	3588.0
756.6505737304688	120.0
757.4285888671875	440.0
757.6795043945312	112.0
758.4176635742188	100.0
758.9178466796875	268.0
759.0988159179688	120.0
759.167236328125	192.0
759.243408203125	116.0
759.7057495117188	96.0
760.45654296875	136.0
992.2665405273438	168.0
1045.7188720703125	176.0
1743.9072265625	148.0
1863.343017578125	152.0
1880.2633056640625	152.0
1916.868408203125	160.0
1995.9534912109375	184.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079215
PEPMASS=473.137024
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=CLOFAZIMINE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)N=c1cc2n(c3ccc(Cl)cc3)c4ccccc4nc2cc1Nc5ccc(Cl)cc5
INCHI=InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3
INCHIAUX=WDQPAMHFFCXSNU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079215
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079215
SCANS=2087
54.20794677734375	168.0
54.488197326660156	144.0
58.764930725097656	140.0
60.77754211425781	152.0
65.08252716064453	160.0
76.31105041503906	192.0
78.13875579833984	252.0
84.4788589477539	104.0
86.23974609375	236.0
88.2119369506836	156.0
92.86654663085938	184.0
94.39955139160156	156.0
94.46144104003906	140.0
94.79832458496094	152.0
95.02713012695312	184.0
95.99579620361328	164.0
97.68409729003906	212.0
102.16828918457031	188.0
102.6617660522461	212.0
103.03720092773438	220.0
104.26716613769531	152.0
104.77790832519531	180.0
104.8160629272461	148.0
109.87042999267578	148.0
110.97052001953125	156.0
112.70909118652344	184.0
112.91203308105469	148.0
113.66619110107422	164.0
115.31022644042969	152.0
115.40000915527344	180.0
115.55614471435547	160.0
117.26546478271484	144.0
117.81787109375	168.0
120.94054412841797	140.0
122.09239196777344	184.0
122.98027038574219	168.0
123.06195068359375	252.0
124.11737060546875	140.0
125.62974548339844	164.0
126.16348266601562	144.0
127.5713119506836	176.0
129.7407684326172	168.0
129.76571655273438	168.0
129.87002563476562	160.0
130.37631225585938	152.0
133.29454040527344	140.0
133.4071502685547	140.0
133.60032653808594	200.0
134.29136657714844	148.0
135.02581787109375	152.0
136.4890899658203	152.0
137.5959930419922	152.0
138.0397491455078	140.0
138.82891845703125	204.0
139.9992218017578	168.0
140.20889282226562	204.0
143.43948364257812	144.0
143.84022521972656	140.0
144.9427490234375	184.0
145.8330841064453	160.0
146.3960418701172	160.0
146.90219116210938	168.0
148.08416748046875	244.0
150.98524475097656	200.0
151.5482635498047	156.0
151.916015625	152.0
152.60858154296875	152.0
153.0514678955078	156.0
153.12042236328125	144.0
153.5517120361328	184.0
154.45323181152344	216.0
155.02761840820312	156.0
155.23336791992188	148.0
155.77194213867188	184.0
156.630126953125	144.0
157.9005584716797	160.0
158.11070251464844	168.0
158.65675354003906	148.0
159.274169921875	172.0
162.1732177734375	236.0
162.75161743164062	176.0
162.89637756347656	176.0
163.1149139404297	148.0
163.90896606445312	196.0
164.197021484375	168.0
164.29905700683594	180.0
164.4827880859375	144.0
164.65130615234375	152.0
165.35659790039062	124.0
172.97222900390625	140.0
173.79251098632812	152.0
173.98410034179688	164.0
174.6199951171875	148.0
174.88308715820312	260.0
176.25970458984375	204.0
177.130126953125	164.0
177.20164489746094	192.0
177.23873901367188	172.0
182.64230346679688	156.0
182.9840545654297	148.0
183.87899780273438	228.0
184.64898681640625	164.0
186.04986572265625	168.0
186.26710510253906	140.0
186.95225524902344	152.0
186.98219299316406	148.0
187.3661346435547	236.0
188.16793823242188	204.0
188.6467742919922	132.0
188.67564392089844	216.0
189.89187622070312	188.0
192.61680603027344	164.0
193.5211181640625	152.0
193.74269104003906	144.0
194.05030822753906	144.0
194.09190368652344	152.0
194.52748107910156	204.0
195.6004638671875	160.0
195.72853088378906	140.0
196.10739135742188	160.0
196.7406005859375	156.0
197.3188934326172	172.0
198.70242309570312	176.0
198.81793212890625	144.0
199.2470703125	168.0
199.41285705566406	216.0
199.51405334472656	176.0
200.97164916992188	104.0
202.95004272460938	188.0
203.3188018798828	188.0
204.44398498535156	160.0
204.49542236328125	152.0
205.16195678710938	176.0
206.6127166748047	152.0
208.3155517578125	148.0
208.6316680908203	232.0
208.6575469970703	200.0
208.88043212890625	124.0
208.95089721679688	160.0
209.72264099121094	164.0
210.38319396972656	176.0
210.97532653808594	124.0
211.67849731445312	160.0
211.8117218017578	144.0
212.03770446777344	200.0
213.9781036376953	172.0
214.0217742919922	160.0
214.99830627441406	144.0
215.24351501464844	152.0
216.04470825195312	128.0
218.03794860839844	136.0
218.68524169921875	188.0
219.1795654296875	140.0
219.23333740234375	184.0
219.5926971435547	160.0
219.79034423828125	140.0
220.08847045898438	164.0
221.27407836914062	144.0
223.5298614501953	208.0
226.21897888183594	192.0
226.75213623046875	152.0
227.05194091796875	140.0
227.075927734375	148.0
228.3854522705078	156.0
228.80674743652344	148.0
228.96031188964844	204.0
229.0527801513672	180.0
230.0155792236328	176.0
230.03973388671875	152.0
231.05111694335938	172.0
232.06178283691406	156.0
232.2759552001953	148.0
233.14732360839844	160.0
233.3437957763672	132.0
234.2539520263672	152.0
234.69949340820312	160.0
235.11160278320312	144.0
235.2214813232422	140.0
236.22682189941406	144.0
236.48544311523438	108.0
237.8754425048828	176.0
238.1884002685547	248.0
238.4744110107422	180.0
239.89031982421875	148.0
240.0229034423828	152.0
240.4486083984375	168.0
240.80982971191406	152.0
242.0808868408203	388.0
242.81846618652344	152.0
243.3335723876953	180.0
243.58511352539062	192.0
244.10414123535156	144.0
244.16322326660156	156.0
244.35763549804688	156.0
245.0223388671875	176.0
245.26539611816406	144.0
245.45556640625	232.0
246.80760192871094	140.0
247.39892578125	180.0
247.89065551757812	180.0
247.9345245361328	168.0
248.98548889160156	196.0
249.3530731201172	140.0
250.17718505859375	180.0
250.55194091796875	164.0
250.67166137695312	188.0
250.9837188720703	192.0
251.072021484375	200.0
252.58489990234375	144.0
253.05091857910156	108.0
253.17015075683594	184.0
254.31175231933594	176.0
256.096435546875	168.0
256.7711486816406	220.0
257.26251220703125	232.0
257.4656066894531	172.0
257.9844970703125	176.0
258.0960998535156	136.0
258.1219482421875	204.0
259.402587890625	148.0
259.50518798828125	168.0
261.2330017089844	192.0
262.0829162597656	112.0
262.1828308105469	220.0
263.55426025390625	144.0
263.7314147949219	132.0
266.65875244140625	152.0
266.8992919921875	216.0
267.0563049316406	128.0
267.14764404296875	188.0
267.9668884277344	180.0
269.7225646972656	180.0
270.0658874511719	172.0
270.1059875488281	300.0
270.5923156738281	156.0
270.90057373046875	168.0
270.9497375488281	188.0
271.0989685058594	144.0
271.5003967285156	140.0
272.0155029296875	144.0
272.3800048828125	220.0
272.4982604980469	176.0
272.7381591796875	176.0
272.899658203125	136.0
273.0137634277344	160.0
274.4467468261719	184.0
274.5786437988281	144.0
275.24853515625	152.0
276.0453796386719	136.0
276.3582763671875	152.0
276.40216064453125	140.0
276.451416015625	188.0
276.69342041015625	152.0
276.82916259765625	164.0
277.04925537109375	260.0
277.17034912109375	160.0
277.43218994140625	208.0
277.7040710449219	144.0
277.8268127441406	200.0
277.9283142089844	144.0
278.0574645996094	396.0
279.0655517578125	1204.0
280.02423095703125	100.0
280.05322265625	144.0
281.0602111816406	232.0
281.2643127441406	172.0
281.7117614746094	148.0
282.1695861816406	144.0
282.7531433105469	160.0
283.0361633300781	204.0
283.2505187988281	148.0
284.1067810058594	536.0
284.2361755371094	176.0
284.9546813964844	168.0
285.1142883300781	464.0
285.64385986328125	148.0
285.8827209472656	160.0
286.097900390625	104.0
287.3265075683594	236.0
288.42572021484375	148.0
288.63531494140625	148.0
289.06097412109375	196.0
289.5862731933594	172.0
290.0538635253906	152.0
290.6541442871094	140.0
291.0722351074219	256.0
292.06494140625	376.0
292.1062927246094	196.0
292.21026611328125	156.0
293.06591796875	160.0
293.2454833984375	184.0
293.6477966308594	176.0
293.67755126953125	116.0
293.9684753417969	196.0
294.01434326171875	120.0
294.07904052734375	6512.0
294.296142578125	224.0
294.6442565917969	104.0
294.83587646484375	160.0
295.0821533203125	952.0
296.0179138183594	128.0
296.07513427734375	1676.0
296.2044372558594	140.0
296.4031677246094	148.0
296.73577880859375	96.0
296.90301513671875	128.0
297.0788269042969	584.0
297.2037353515625	316.0
298.0838317871094	152.0
298.8134765625	152.0
298.8685302734375	224.0
299.0612487792969	144.0
299.80859375	152.0
300.1614074707031	140.0
300.196533203125	204.0
300.8813171386719	168.0
301.24737548828125	148.0
301.7864990234375	148.0
302.8350524902344	172.0
303.05242919921875	268.0
303.0611572265625	136.0
303.2508239746094	156.0
303.5281677246094	152.0
304.0653076171875	1036.0
304.5165710449219	132.0
305.07177734375	1656.0
305.1479797363281	168.0
305.4939270019531	164.0
306.07501220703125	916.0
306.378173828125	160.0
307.0731506347656	788.0
307.3621826171875	116.0
308.0832824707031	316.0
308.35662841796875	160.0
308.5677795410156	208.0
308.8181457519531	164.0
309.07684326171875	160.0
311.14068603515625	184.0
311.7314453125	236.0
311.8298645019531	172.0
312.38189697265625	152.0
312.4345397949219	124.0
313.02947998046875	168.0
313.4859924316406	108.0
314.93035888671875	164.0
315.8139953613281	144.0
316.52532958984375	224.0
316.7590637207031	148.0
317.0533447265625	136.0
317.3899230957031	148.0
317.94683837890625	144.0
318.005859375	124.0
318.0618591308594	112.0
318.6271057128906	128.0
319.07415771484375	2324.0
319.3075256347656	180.0
320.0603332519531	1728.0
320.28729248046875	200.0
321.0879211425781	2844.0
321.2487487792969	140.0
321.6127014160156	200.0
321.6519775390625	140.0
321.7447814941406	184.0
322.05987548828125	788.0
322.085205078125	488.0
322.6379089355469	148.0
323.0849609375	636.0
323.449951171875	228.0
323.59637451171875	120.0
323.9154357910156	140.0
324.41900634765625	104.0
324.6366882324219	180.0
324.8187561035156	200.0
324.9565734863281	116.0
325.056884765625	140.0
325.55450439453125	152.0
325.7570495605469	112.0
326.5679931640625	148.0
327.91815185546875	144.0
328.0433349609375	220.0
328.62493896484375	180.0
330.0741271972656	768.0
330.8929748535156	256.0
330.929931640625	152.0
331.0803527832031	296.0
331.4451904296875	200.0
331.5176696777344	152.0
332.08795166015625	376.0
332.2827453613281	160.0
333.09661865234375	356.0
333.4639587402344	152.0
333.6410217285156	144.0
334.0889892578125	508.0
334.623291015625	156.0
334.664794921875	132.0
335.2935485839844	168.0
335.75653076171875	212.0
336.12054443359375	304.0
336.35125732421875	204.0
336.5118713378906	140.0
337.0619812011719	340.0
337.7486572265625	176.0
338.0569152832031	144.0
339.2447204589844	160.0
339.5213623046875	208.0
339.6114196777344	204.0
340.5400085449219	240.0
340.74755859375	192.0
341.02130126953125	152.0
341.61700439453125	144.0
341.7604675292969	152.0
342.917236328125	168.0
343.07159423828125	144.0
344.0898132324219	140.0
344.1174011230469	216.0
345.0496826171875	192.0
345.0918884277344	160.0
345.661376953125	104.0
346.12030029296875	188.0
346.6419372558594	152.0
347.10699462890625	1136.0
348.06634521484375	160.0
348.1107177734375	260.0
348.1737976074219	172.0
349.106689453125	276.0
349.177490234375	156.0
350.1134033203125	200.0
350.79345703125	140.0
351.7200012207031	152.0
352.8708190917969	132.0
353.53118896484375	204.0
353.89801025390625	176.0
356.02789306640625	184.0
356.3960266113281	184.0
357.1163330078125	112.0
357.23260498046875	184.0
357.3773498535156	148.0
358.3299255371094	160.0
358.4830017089844	152.0
358.5710754394531	184.0
359.0121765136719	140.0
359.12835693359375	260.0
359.3440856933594	160.0
359.87249755859375	208.0
360.1407470703125	120.0
361.12445068359375	304.0
361.38433837890625	172.0
361.49029541015625	144.0
362.1359558105469	152.0
363.1204833984375	128.0
363.3013610839844	148.0
363.5479736328125	148.0
364.1397399902344	156.0
364.341552734375	160.0
365.5565185546875	168.0
365.63055419921875	176.0
365.7196350097656	136.0
365.8697814941406	160.0
366.10894775390625	108.0
366.41876220703125	164.0
366.4606628417969	244.0
366.6435546875	212.0
367.2306823730469	156.0
367.51300048828125	148.0
367.8974914550781	144.0
368.0955810546875	108.0
368.421630859375	180.0
369.1019592285156	204.0
370.09033203125	260.0
370.3648681640625	172.0
370.9463806152344	132.0
371.05462646484375	140.0
371.11456298828125	156.0
371.36907958984375	188.0
372.56671142578125	160.0
373.0201721191406	140.0
373.6192626953125	128.0
374.23199462890625	96.0
375.51031494140625	260.0
375.9820556640625	144.0
376.2792663574219	148.0
376.68475341796875	144.0
376.85089111328125	164.0
378.073974609375	268.0
378.29339599609375	260.0
378.6418762207031	176.0
378.7348327636719	164.0
379.0311279296875	176.0
379.09075927734375	288.0
379.413330078125	128.0
380.0934753417969	508.0
380.8021240234375	188.0
381.099365234375	656.0
382.09869384765625	420.0
382.3572692871094	164.0
383.09771728515625	204.0
383.6192626953125	140.0
383.8492736816406	176.0
384.4187927246094	152.0
384.6295471191406	140.0
384.8094177246094	168.0
384.8833312988281	128.0
385.1116943359375	108.0
385.6544189453125	136.0
386.39361572265625	152.0
386.6619873046875	192.0
386.7793884277344	148.0
388.848876953125	140.0
390.00653076171875	204.0
390.7271423339844	184.0
390.77435302734375	168.0
391.21514892578125	140.0
391.2505798339844	156.0
392.0856018066406	188.0
392.1880798339844	216.0
393.0241394042969	152.0
394.0956115722656	800.0
394.3327331542969	180.0
394.49725341796875	196.0
394.9559631347656	176.0
395.04681396484375	136.0
395.1056213378906	7168.0
395.6682434082031	180.0
396.108642578125	3360.0
396.2003479003906	128.0
396.4168395996094	144.0
396.46441650390625	160.0
396.66973876953125	144.0
396.7894287109375	144.0
397.10345458984375	1908.0
397.17108154296875	140.0
397.3863220214844	96.0
397.8446960449219	160.0
397.9797058105469	144.0
398.10894775390625	532.0
398.2456359863281	120.0
398.764404296875	120.0
398.8561706542969	172.0
398.88946533203125	140.0
398.9701232910156	108.0
399.11749267578125	324.0
399.34149169921875	140.0
399.38250732421875	164.0
400.3974304199219	212.0
400.6204833984375	244.0
400.7758483886719	200.0
400.9233093261719	148.0
401.1983337402344	204.0
401.36578369140625	160.0
401.70477294921875	200.0
402.47503662109375	204.0
402.85565185546875	160.0
403.0701904296875	180.0
403.8897399902344	156.0
403.9877014160156	244.0
404.0703125	5944.0
404.1526184082031	136.0
404.6260681152344	180.0
404.66351318359375	192.0
405.0734558105469	1756.0
405.1426696777344	164.0
405.185546875	176.0
405.3710632324219	172.0
405.5308532714844	192.0
405.84405517578125	240.0
405.9042053222656	172.0
406.06842041015625	3608.0
406.15203857421875	320.0
406.4457092285156	168.0
406.6103210449219	100.0
407.07354736328125	748.0
407.3289489746094	140.0
407.4333801269531	176.0
407.5338134765625	144.0
407.5940856933594	176.0
407.6463317871094	164.0
407.7427673339844	160.0
407.87738037109375	124.0
408.0706787109375	436.0
408.110107421875	328.0
408.2573547363281	172.0
408.4584655761719	160.0
408.5067443847656	180.0
408.6072998046875	140.0
408.8547668457031	96.0
409.0029296875	140.0
409.20697021484375	148.0
409.4606628417969	152.0
409.7696228027344	148.0
409.9227600097656	180.0
410.1335144042969	196.0
410.25848388671875	168.0
411.0732116699219	192.0
411.7253112792969	112.0
412.042236328125	224.0
413.041259765625	124.0
413.13079833984375	196.0
413.493896484375	160.0
414.05560302734375	1404.0
414.66119384765625	140.0
415.059326171875	896.0
415.475341796875	152.0
415.5224914550781	112.0
415.85675048828125	208.0
416.0605773925781	1088.0
416.1716613769531	124.0
416.7785949707031	216.0
417.0566711425781	204.0
417.0675048828125	436.0
417.1346740722656	240.0
417.17974853515625	164.0
417.872314453125	164.0
418.0684814453125	1040.0
418.9710693359375	172.0
419.0793151855469	388.0
419.2649230957031	100.0
419.4966125488281	132.0
420.05181884765625	152.0
420.6271667480469	148.0
420.7481689453125	212.0
421.0295104980469	132.0
421.11773681640625	108.0
421.2682800292969	156.0
422.10845947265625	140.0
422.26153564453125	168.0
422.4128723144531	144.0
423.0389404296875	176.0
423.1346740722656	516.0
423.2742614746094	160.0
423.7928466796875	144.0
424.0805358886719	128.0
424.1501159667969	472.0
424.44012451171875	180.0
425.1376953125	120.0
425.4781494140625	148.0
425.5602722167969	144.0
425.9627380371094	212.0
426.18304443359375	192.0
426.2790832519531	220.0
426.6600036621094	112.0
426.90032958984375	256.0
427.13836669921875	152.0
427.39605712890625	184.0
428.0169372558594	184.0
428.2991027832031	192.0
428.4156188964844	140.0
428.79833984375	224.0
429.0048828125	164.0
429.067138671875	25896.0
429.18914794921875	140.0
429.2484436035156	124.0
429.31024169921875	184.0
429.5671691894531	124.0
429.69329833984375	200.0
429.74066162109375	212.0
429.78570556640625	160.0
429.9018859863281	180.0
429.9842224121094	96.0
430.0725402832031	10028.0
430.22613525390625	184.0
430.2752990722656	268.0
430.32647705078125	256.0
430.4359130859375	128.0
430.4656982421875	208.0
430.5284118652344	268.0
430.59014892578125	396.0
430.6561279296875	168.0
430.72125244140625	304.0
430.8226013183594	128.0
430.8667907714844	116.0
430.89453125	308.0
430.95458984375	280.0
430.9921875	164.0
431.08221435546875	108240.0
431.1820373535156	292.0
431.22735595703125	228.0
431.3133239746094	108.0
431.4159851074219	276.0
431.4571838378906	236.0
431.5011291503906	336.0
431.54229736328125	184.0
431.69708251953125	124.0
431.7596740722656	268.0
431.8445129394531	164.0
431.9307861328125	120.0
431.9550476074219	196.0
431.998779296875	104.0
432.0841979980469	34504.0
432.2123107910156	144.0
432.2381286621094	336.0
432.3177490234375	148.0
432.388671875	156.0
432.4525451660156	284.0
432.53533935546875	172.0
432.6709899902344	132.0
432.7394714355469	124.0
432.77667236328125	252.0
432.9123840332031	184.0
432.9438171386719	148.0
432.9816589355469	160.0
433.0802917480469	59176.0
433.25799560546875	136.0
433.4190368652344	128.0
433.4969482421875	100.0
433.5804443359375	116.0
433.68402099609375	248.0
433.83929443359375	180.0
433.9315490722656	120.0
434.0206298828125	108.0
434.0833435058594	12328.0
434.3344421386719	124.0
434.4723815917969	136.0
434.501708984375	180.0
434.5567321777344	96.0
434.6293029785156	124.0
434.68896484375	180.0
435.0024719238281	124.0
435.0774841308594	5432.0
435.146484375	140.0
435.1870422363281	196.0
435.3009338378906	188.0
435.44970703125	156.0
435.6212158203125	176.0
435.70050048828125	112.0
435.74951171875	104.0
435.8257751464844	124.0
436.0273742675781	144.0
436.080810546875	160.0
436.2334899902344	96.0
436.392822265625	148.0
436.7578430175781	136.0
437.05230712890625	132.0
437.1465148925781	352.0
437.23858642578125	232.0
437.5868225097656	100.0
437.8514709472656	104.0
438.0762023925781	204.0
438.16424560546875	304.0
438.3417053222656	200.0
438.86273193359375	192.0
438.9211120605469	212.0
439.1429443359375	104.0
439.9683532714844	160.0
440.07208251953125	716.0
440.1756896972656	212.0
440.3065490722656	140.0
440.91650390625	148.0
441.08502197265625	540.0
441.1661682128906	148.0
441.36798095703125	164.0
442.0163269042969	188.0
442.0683898925781	628.0
442.1520080566406	104.0
442.21722412109375	212.0
442.9872131347656	140.0
443.08184814453125	2276.0
444.0865173339844	928.0
444.58929443359375	148.0
444.64385986328125	212.0
445.0769348144531	904.0
445.3702087402344	224.0
445.6390686035156	176.0
446.08001708984375	248.0
446.1290283203125	128.0
446.3311462402344	116.0
446.7645568847656	108.0
447.0799560546875	440.0
447.18658447265625	188.0
447.3843994140625	140.0
447.6105041503906	200.0
447.71502685546875	176.0
447.85943603515625	192.0
448.0830078125	168.0
448.55548095703125	144.0
448.9813232421875	176.0
449.664794921875	180.0
449.716796875	160.0
449.9375	144.0
450.21630859375	156.0
450.7839050292969	188.0
451.6252136230469	188.0
452.3022155761719	160.0
453.1068115234375	140.0
453.4881896972656	160.0
454.82275390625	308.0
455.2488098144531	140.0
455.4542236328125	152.0
455.59710693359375	156.0
455.6523132324219	228.0
456.96038818359375	128.0
457.1001281738281	448.0
457.18731689453125	156.0
457.4043884277344	140.0
457.9003601074219	148.0
458.04443359375	192.0
458.1031799316406	1024.0
458.19219970703125	144.0
458.50750732421875	200.0
459.1012878417969	716.0
459.2055969238281	184.0
459.2933349609375	192.0
459.95037841796875	204.0
460.09930419921875	880.0
460.5025939941406	248.0
460.73980712890625	124.0
460.9527587890625	164.0
461.051025390625	144.0
461.1119689941406	340.0
462.1020812988281	152.0
462.4452819824219	152.0
462.662353515625	124.0
463.6615905761719	220.0
463.9967041015625	204.0
464.177001953125	124.0
464.2317810058594	148.0
464.3158264160156	140.0
464.433349609375	176.0
464.7375183105469	128.0
464.89239501953125	152.0
465.3516845703125	176.0
465.5320129394531	156.0
466.05609130859375	156.0
466.1473083496094	136.0
466.22515869140625	152.0
466.47222900390625	144.0
468.0238342285156	172.0
468.26239013671875	104.0
468.4007263183594	260.0
468.441650390625	152.0
468.53192138671875	96.0
468.5937805175781	120.0
468.86962890625	140.0
469.1376037597656	160.0
469.4800109863281	164.0
469.712158203125	132.0
469.8983154296875	132.0
470.0067138671875	124.0
470.1662292480469	140.0
470.2288818359375	160.0
470.4662780761719	148.0
470.5063781738281	132.0
470.5959777832031	96.0
470.64654541015625	128.0
470.708984375	168.0
470.7686462402344	308.0
470.91802978515625	108.0
470.9660949707031	192.0
471.01220703125	124.0
471.1208190917969	132.0
471.3775939941406	208.0
471.458251953125	176.0
471.6715087890625	316.0
471.7233581542969	96.0
471.80902099609375	172.0
471.92559814453125	376.0
471.958251953125	184.0
472.01861572265625	124.0
472.08929443359375	264.0
472.1288757324219	208.0
472.19244384765625	144.0
472.2537841796875	292.0
472.31390380859375	120.0
472.3447265625	212.0
472.41595458984375	300.0
472.4937744140625	144.0
472.52496337890625	232.0
472.6211242675781	360.0
472.69403076171875	192.0
472.81109619140625	340.0
472.86358642578125	204.0
472.9243469238281	476.0
472.9898681640625	352.0
473.0373840332031	576.0
473.0469055175781	552.0
473.1315612792969	290884.0
473.2583312988281	204.0
473.2845458984375	384.0
473.3935852050781	316.0
473.4302978515625	276.0
473.5205993652344	692.0
473.586669921875	408.0
473.6343994140625	160.0
473.6639099121094	396.0
473.7112121582031	236.0
473.79443359375	312.0
473.8460388183594	4268.0
473.907470703125	292.0
474.0015563964844	340.0
474.1341857910156	166724.0
474.278076171875	164.0
474.3375244140625	212.0
474.43133544921875	244.0
474.520263671875	324.0
474.5789489746094	444.0
474.64483642578125	700.0
474.76263427734375	108.0
474.7975158691406	204.0
474.8436584472656	328.0
474.8970947265625	512.0
474.9137268066406	468.0
474.9447326660156	624.0
475.0259094238281	360.0
475.06768798828125	660.0
475.12921142578125	248236.0
475.25921630859375	284.0
475.3140563964844	456.0
475.3907165527344	136.0
475.4525451660156	280.0
475.4905700683594	364.0
475.52569580078125	496.0
475.59783935546875	216.0
475.65606689453125	320.0
475.78082275390625	216.0
475.8447265625	1416.0
475.9145812988281	444.0
475.9765930175781	452.0
476.1306457519531	77496.0
476.258056640625	128.0
476.3642578125	184.0
476.4726867675781	200.0
476.5125427246094	184.0
476.584716796875	464.0
476.634521484375	176.0
476.71142578125	192.0
476.73455810546875	420.0
476.79644775390625	336.0
476.83709716796875	272.0
476.85028076171875	252.0
476.8773193359375	324.0
476.904541015625	364.0
476.9596862792969	200.0
477.0072021484375	408.0
477.1257629394531	24680.0
477.2619934082031	212.0
477.3039245605469	268.0
477.39044189453125	208.0
477.44085693359375	164.0
477.5568542480469	328.0
477.6800231933594	260.0
477.75836181640625	176.0
477.8110656738281	216.0
477.8959045410156	216.0
477.9544372558594	160.0
478.00213623046875	152.0
478.0758361816406	388.0
478.14337158203125	296.0
478.220703125	228.0
478.309326171875	168.0
478.4065246582031	196.0
478.51141357421875	128.0
478.6383056640625	136.0
478.6860046386719	268.0
478.7179870605469	144.0
478.8101501464844	108.0
478.86279296875	224.0
478.9473571777344	160.0
478.9872131347656	192.0
479.0323486328125	220.0
479.0826721191406	376.0
479.136474609375	220.0
479.2045593261719	136.0
479.2998962402344	120.0
479.3865966796875	116.0
479.4851989746094	164.0
479.51788330078125	192.0
479.55889892578125	124.0
479.72882080078125	196.0
479.869873046875	120.0
479.9198303222656	96.0
479.9637756347656	124.0
480.0122985839844	128.0
480.1334533691406	96.0
480.1938781738281	220.0
480.51904296875	116.0
480.5543518066406	132.0
480.7684326171875	192.0
481.59307861328125	120.0
481.65509033203125	196.0
483.5380859375	196.0
485.80859375	112.0
487.5707092285156	108.0
489.116455078125	100.0
490.56683349609375	96.0
490.6369934082031	96.0
492.3490295410156	100.0
493.3297424316406	212.0
500.2841491699219	140.0
500.67889404296875	116.0
501.1080322265625	168.0
501.32330322265625	108.0
503.36053466796875	140.0
559.4012451171875	144.0
563.3146362304688	104.0
578.72705078125	116.0
593.2470092773438	140.0
651.6126708984375	160.0
667.8438110351562	140.0
670.9946899414062	100.0
686.5563354492188	140.0
692.975341796875	164.0
718.4909057617188	172.0
788.1600341796875	152.0
816.3397827148438	144.0
818.6456909179688	96.0
827.0829467773438	124.0
845.8742065429688	116.0
859.6046142578125	168.0
861.4729614257812	148.0
915.7571411132812	108.0
1014.5725708007812	156.0
1038.333740234375	100.0
1073.532470703125	140.0
1250.8114013671875	156.0
1479.2501220703125	152.0
1568.3701171875	148.0
1682.374267578125	176.0
1687.6357421875	160.0
1802.3883056640625	164.0
1992.5596923828125	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079216
PEPMASS=309.097351
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1
INCHI=InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
INCHIAUX=UCAIEVHKDLMIFL-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079216
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079216
SCANS=1001
47.280303955078125	176.0
48.461814880371094	228.0
51.50651931762695	144.0
53.643714904785156	140.0
53.656837463378906	212.0
60.57746887207031	144.0
63.51206588745117	252.0
64.55205535888672	228.0
71.60791778564453	160.0
74.8006591796875	180.0
78.00149536132812	140.0
80.85723114013672	156.0
81.04346466064453	152.0
82.84693145751953	312.0
87.04366302490234	172.0
99.56365966796875	152.0
102.30098724365234	224.0
106.06520080566406	200.0
108.97090148925781	152.0
109.07658386230469	10476.0
110.07829284667969	1192.0
110.84005737304688	112.0
125.02354431152344	172.0
127.01156616210938	192.0
130.70816040039062	140.0
141.0480194091797	848.0
142.06008911132812	144.0
143.04248046875	132.0
143.06378173828125	208.0
163.54713439941406	180.0
168.05882263183594	964.0
169.06565856933594	200.0
181.7018585205078	168.0
209.07723999023438	164.0
213.65771484375	144.0
217.19528198242188	172.0
257.8115539550781	180.0
265.05853271484375	144.0
265.8984375	168.0
266.72015380859375	228.0
275.673583984375	196.0
276.1636047363281	204.0
298.1719665527344	336.0
307.163330078125	172.0
309.0933532714844	3588.0
309.17864990234375	156.0
310.1022644042969	148.0
311.0906677246094	1404.0
311.2603759765625	152.0
312.0790710449219	152.0
1185.2166748046875	184.0
1335.314697265625	168.0
1345.1949462890625	208.0
1436.6312255859375	204.0
1506.007080078125	200.0
1530.8323974609375	180.0
1550.9892578125	160.0
1597.8663330078125	156.0
1622.5684814453125	156.0
1730.020751953125	184.0
1763.8858642578125	184.0
1828.39990234375	184.0
1853.6292724609375	232.0
1858.26806640625	184.0
1881.738525390625	152.0
1918.7152099609375	180.0
1969.251220703125	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079217
PEPMASS=247.641434
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=IMATINIB MESYLATE [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1
INCHI=InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
INCHIAUX=KTUFNOKKBVMGRW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079217
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079217
SCANS=1032
45.548828125	184.0
45.87447738647461	184.0
46.40308380126953	176.0
46.43156051635742	200.0
46.51975631713867	180.0
47.94364929199219	252.0
48.25837707519531	172.0
48.532527923583984	140.0
48.78104019165039	188.0
49.07618713378906	148.0
49.14626693725586	180.0
49.26879119873047	192.0
49.37921905517578	176.0
49.453372955322266	204.0
49.95853042602539	144.0
49.99089050292969	212.0
50.162723541259766	152.0
51.745365142822266	144.0
52.04502868652344	152.0
52.30812072753906	212.0
52.400291442871094	180.0
53.01294708251953	144.0
53.61750793457031	152.0
54.427940368652344	232.0
54.96586608886719	180.0
55.169029235839844	212.0
55.214866638183594	212.0
55.3095588684082	192.0
55.62529373168945	180.0
56.85367965698242	192.0
56.89720916748047	176.0
57.80306625366211	176.0
58.19185256958008	160.0
58.34757995605469	140.0
59.068904876708984	152.0
59.44155502319336	208.0
59.54252243041992	156.0
59.6177978515625	160.0
59.91322326660156	216.0
60.09977722167969	144.0
60.4350700378418	160.0
61.267250061035156	140.0
61.76209259033203	144.0
61.951499938964844	232.0
62.90447235107422	152.0
63.02608108520508	280.0
63.61524200439453	216.0
64.15452575683594	140.0
64.67367553710938	220.0
64.68488311767578	144.0
65.05518341064453	212.0
65.60375213623047	168.0
65.73116302490234	188.0
65.8199462890625	172.0
66.0235595703125	148.0
66.17890167236328	140.0
66.26959991455078	140.0
66.57617950439453	160.0
66.64348602294922	184.0
66.90137481689453	188.0
67.16861724853516	204.0
67.56954956054688	180.0
67.70307922363281	140.0
68.39922332763672	164.0
68.54086303710938	180.0
68.71728515625	168.0
68.93689727783203	156.0
69.0096206665039	172.0
69.02120208740234	172.0
69.12541198730469	188.0
69.22969818115234	176.0
69.35395812988281	144.0
69.67755126953125	224.0
70.32835388183594	196.0
70.4037857055664	376.0
71.37572479248047	244.0
72.12594604492188	176.0
72.20541381835938	180.0
72.64749908447266	152.0
73.02119445800781	188.0
73.38390350341797	176.0
74.66304779052734	284.0
75.22129821777344	144.0
75.28173065185547	156.0
76.1650161743164	152.0
76.31620788574219	172.0
76.34229278564453	196.0
76.36503601074219	160.0
76.59639739990234	200.0
76.77766418457031	152.0
76.8805923461914	208.0
77.25450134277344	176.0
77.48208618164062	144.0
77.82585144042969	168.0
77.88204956054688	156.0
78.32706451416016	200.0
79.07393646240234	220.0
79.91685485839844	232.0
80.09309387207031	140.0
80.13228607177734	144.0
80.3051986694336	180.0
80.42117309570312	140.0
80.43545532226562	148.0
80.50508117675781	144.0
80.72488403320312	172.0
82.30663299560547	152.0
83.10441589355469	144.0
84.07064819335938	156.0
84.4159164428711	156.0
84.47261047363281	176.0
85.44306182861328	184.0
85.63819122314453	188.0
86.2045669555664	200.0
86.52649688720703	156.0
86.74129486083984	180.0
87.99703216552734	188.0
88.12030029296875	168.0
88.76793670654297	176.0
88.83358001708984	152.0
89.03800964355469	1120.0
89.61566162109375	184.0
90.00480651855469	216.0
90.04679870605469	1420.0
90.58293151855469	152.0
90.73453521728516	212.0
90.83694458007812	140.0
90.99381256103516	224.0
91.0539779663086	1492.0
91.23193359375	152.0
91.258544921875	252.0
91.28136444091797	224.0
91.631591796875	160.0
92.05693817138672	208.0
92.44499969482422	176.0
93.05838012695312	164.0
93.41776275634766	156.0
93.49857330322266	216.0
94.04014587402344	148.0
94.53682708740234	140.0
94.5843734741211	124.0
94.89106750488281	168.0
95.03482055664062	160.0
95.36689758300781	212.0
95.9765396118164	152.0
96.0093765258789	156.0
96.99334716796875	136.0
97.07843780517578	156.0
97.3813247680664	160.0
98.0833511352539	280.0
98.11332702636719	176.0
98.81641387939453	188.0
99.05595397949219	156.0
99.09174346923828	1148.0
99.12544250488281	164.0
99.17285919189453	160.0
99.25810241699219	148.0
99.31363677978516	156.0
99.39100646972656	164.0
99.86579895019531	176.0
100.09944152832031	1764.0
100.248046875	164.0
101.07675170898438	160.0
101.10514831542969	688.0
101.2328872680664	188.0
101.65385437011719	160.0
102.20242309570312	184.0
102.53669738769531	144.0
102.75851440429688	192.0
102.78474426269531	272.0
103.05210876464844	164.0
103.07349395751953	168.0
103.49219512939453	196.0
104.04888916015625	264.0
104.93914031982422	136.0
105.03504943847656	348.0
105.19589233398438	232.0
105.31023406982422	144.0
105.97713470458984	224.0
106.04270935058594	104.0
106.06243133544922	160.0
107.0431900024414	144.0
107.3667221069336	172.0
107.76512145996094	204.0
107.95321655273438	156.0
108.47911071777344	148.0
108.84010314941406	192.0
109.07945251464844	96.0
109.20378112792969	180.0
109.38688659667969	144.0
109.4909896850586	144.0
109.63473510742188	164.0
109.79827117919922	152.0
109.99765014648438	140.0
110.04566192626953	212.0
111.06900024414062	152.0
111.3040542602539	168.0
111.33555603027344	180.0
111.40982818603516	188.0
111.50362396240234	144.0
111.80646514892578	188.0
111.9538345336914	160.0
112.0380859375	196.0
113.13835906982422	144.0
113.43492889404297	148.0
113.50065612792969	176.0
114.5207290649414	156.0
115.04314422607422	152.0
115.24176788330078	180.0
115.25672149658203	164.0
115.28450012207031	144.0
115.7743911743164	160.0
116.04438018798828	220.0
117.05641174316406	164.0
117.83938598632812	144.0
117.97566223144531	160.0
118.0415267944336	20484.0
118.17667388916016	176.0
118.2028579711914	200.0
118.72687530517578	152.0
118.75679016113281	136.0
118.82231903076172	192.0
118.90226745605469	180.0
118.90945434570312	152.0
118.98829650878906	192.0
119.04911804199219	27856.0
119.10094451904297	96.0
119.19961547851562	104.0
119.87577819824219	96.0
120.05211639404297	2752.0
120.21487426757812	264.0
120.74573516845703	172.0
120.89579010009766	132.0
120.95242309570312	120.0
121.0537338256836	340.0
121.07596588134766	2548.0
121.62432861328125	144.0
121.71214294433594	192.0
121.75166320800781	232.0
122.03810119628906	184.0
122.08091735839844	368.0
122.3541488647461	160.0
122.37615966796875	156.0
124.19490051269531	216.0
124.23926544189453	140.0
125.24847412109375	176.0
126.06057739257812	148.0
127.58470916748047	148.0
127.87037658691406	184.0
128.29159545898438	188.0
128.7654266357422	188.0
129.04283142089844	168.0
129.18133544921875	168.0
130.0576629638672	148.0
131.0605926513672	1296.0
131.50357055664062	212.0
132.0244598388672	164.0
132.0698699951172	772.0
132.4776611328125	212.0
132.55406188964844	148.0
133.93861389160156	180.0
135.07891845703125	140.0
135.75057983398438	208.0
135.86886596679688	152.0
136.06149291992188	172.0
136.333251953125	168.0
136.36346435546875	252.0
136.67739868164062	152.0
137.2037811279297	140.0
138.130859375	172.0
138.5661163330078	164.0
138.8475799560547	168.0
139.068115234375	284.0
140.06271362304688	208.0
140.2087860107422	168.0
140.3242950439453	152.0
140.67816162109375	152.0
141.05612182617188	164.0
142.02220153808594	140.0
143.050537109375	152.0
144.06936645507812	152.0
144.48533630371094	204.0
145.07643127441406	380.0
145.388671875	212.0
145.70413208007812	200.0
146.0675506591797	840.0
146.13357543945312	180.0
146.49227905273438	240.0
147.05319213867188	304.0
147.07901000976562	1256.0
147.51727294921875	228.0
147.59039306640625	276.0
147.8250274658203	240.0
148.0843048095703	196.0
148.63436889648438	160.0
149.4580841064453	164.0
150.7357940673828	196.0
151.8521270751953	168.0
152.41429138183594	180.0
153.40365600585938	140.0
155.0625457763672	144.0
155.22830200195312	168.0
155.56820678710938	172.0
155.7395477294922	152.0
155.81158447265625	156.0
155.8712158203125	164.0
156.05548095703125	408.0
156.3212890625	236.0
156.94651794433594	172.0
157.06076049804688	272.0
158.07252502441406	316.0
159.4071044921875	192.0
159.45401000976562	168.0
160.0768585205078	1324.0
160.34326171875	156.0
161.07864379882812	124.0
161.2038116455078	180.0
162.06919860839844	168.0
162.27703857421875	236.0
162.5179901123047	224.0
162.9267578125	200.0
163.4861297607422	188.0
163.64649963378906	224.0
165.06399536132812	148.0
165.24932861328125	192.0
165.5769805908203	172.0
166.55931091308594	140.0
167.19952392578125	144.0
167.56259155273438	216.0
167.8744659423828	140.0
167.90025329589844	188.0
167.9879608154297	164.0
168.99551391601562	144.0
169.06581115722656	168.0
170.0865478515625	260.0
170.1618194580078	152.0
170.203369140625	172.0
170.2727813720703	220.0
170.86093139648438	148.0
171.06556701660156	304.0
171.30990600585938	164.0
171.85618591308594	140.0
172.08595275878906	596.0
172.838623046875	152.0
173.0932159423828	2980.0
173.22085571289062	188.0
173.68743896484375	212.0
174.06011962890625	148.0
174.09585571289062	412.0
174.15830993652344	184.0
175.04356384277344	160.0
175.07447814941406	300.0
175.22793579101562	144.0
175.57908630371094	332.0
175.8476104736328	156.0
176.0771484375	156.0
176.1846923828125	196.0
176.39312744140625	168.0
176.91815185546875	272.0
177.0796661376953	180.0
178.0638885498047	124.0
178.3612060546875	156.0
178.96243286132812	148.0
179.50315856933594	168.0
179.82080078125	152.0
180.0764923095703	332.0
180.23472595214844	180.0
180.45657348632812	188.0
180.57427978515625	216.0
180.87123107910156	196.0
181.06991577148438	404.0
181.5570526123047	176.0
181.56378173828125	172.0
182.0240478515625	164.0
182.05894470214844	152.0
182.3195343017578	156.0
182.58116149902344	592.0
183.06983947753906	124.0
183.148193359375	208.0
183.563232421875	228.0
183.5894012451172	3296.0
184.03273010253906	164.0
184.0889892578125	1096.0
184.29202270507812	172.0
185.07748413085938	256.0
186.08773803710938	160.0
186.12303161621094	152.0
186.16920471191406	228.0
187.05010986328125	224.0
187.55674743652344	228.0
187.58399963378906	176.0
188.0749969482422	180.0
188.32891845703125	156.0
188.42726135253906	224.0
188.58074951171875	1504.0
189.0631561279297	200.0
189.0852813720703	348.0
189.56910705566406	356.0
190.0735626220703	996.0
191.06735229492188	176.0
191.9046630859375	156.0
192.07012939453125	316.0
192.2467041015625	148.0
192.45925903320312	152.0
192.53933715820312	144.0
193.07887268066406	104.0
194.0938720703125	404.0
194.49957275390625	232.0
194.59396362304688	224.0
195.1033172607422	296.0
195.5363006591797	200.0
195.58802795410156	180.0
196.09326171875	332.0
197.08450317382812	192.0
197.39810180664062	124.0
197.58624267578125	10344.0
197.71315002441406	196.0
197.8048553466797	152.0
198.00991821289062	160.0
198.08815002441406	3024.0
198.5896759033203	176.0
198.75941467285156	164.0
198.96607971191406	164.0
199.1004180908203	160.0
199.16476440429688	176.0
199.44924926757812	192.0
199.76138305664062	188.0
200.10121154785156	180.0
200.4088897705078	160.0
200.6331024169922	128.0
200.95587158203125	156.0
201.1647186279297	148.0
201.9944305419922	132.0
202.5843048095703	236.0
202.94139099121094	172.0
202.96124267578125	152.0
204.051513671875	144.0
204.07952880859375	372.0
204.27902221679688	188.0
204.7344207763672	168.0
205.0894012451172	388.0
206.05223083496094	160.0
206.0891571044922	408.0
206.26368713378906	140.0
206.59254455566406	152.0
206.84722900390625	180.0
207.0938720703125	180.0
207.2826385498047	140.0
207.35133361816406	148.0
207.92286682128906	100.0
207.96221923828125	168.0
208.13160705566406	184.0
208.6430206298828	204.0
209.09226989746094	124.0
209.11476135253906	192.0
210.08258056640625	168.0
210.11305236816406	300.0
210.2668914794922	212.0
210.7122802734375	200.0
211.08224487304688	152.0
211.12660217285156	268.0
212.10577392578125	216.0
213.29576110839844	152.0
214.75308227539062	160.0
214.84059143066406	204.0
215.2433624267578	140.0
216.06173706054688	152.0
216.14813232421875	300.0
217.08102416992188	256.0
217.13726806640625	448.0
217.38609313964844	180.0
218.0713348388672	184.0
218.09719848632812	352.0
218.13497924804688	416.0
218.19088745117188	152.0
218.2114715576172	160.0
218.5997314453125	160.0
218.8499298095703	164.0
219.01190185546875	204.0
219.03546142578125	196.0
219.10655212402344	1532.0
219.35369873046875	160.0
219.39910888671875	200.0
219.6092071533203	920.0
220.10472106933594	240.0
221.07357788085938	152.0
221.1084747314453	1184.0
221.54934692382812	168.0
222.09088134765625	2112.0
222.67649841308594	160.0
222.9676513671875	144.0
223.00926208496094	144.0
223.0973358154297	1704.0
223.16087341308594	164.0
223.7112579345703	152.0
223.91969299316406	172.0
223.99911499023438	144.0
224.10186767578125	256.0
225.0774688720703	148.0
225.10879516601562	336.0
225.3126983642578	148.0
225.4496307373047	164.0
225.6043243408203	308.0
225.758056640625	192.0
226.11366271972656	368.0
226.2098388671875	148.0
226.61602783203125	180.0
227.24075317382812	228.0
227.3457794189453	160.0
227.89527893066406	156.0
228.08761596679688	180.0
228.15675354003906	280.0
229.4060821533203	144.0
229.541748046875	196.0
230.09088134765625	156.0
230.14825439453125	252.0
230.61952209472656	144.0
230.9158172607422	192.0
231.22581481933594	124.0
231.4817352294922	176.0
231.58470153808594	172.0
231.60589599609375	168.0
232.0543975830078	160.0
232.10093688964844	300.0
232.1404571533203	168.0
232.67332458496094	192.0
233.09005737304688	328.0
233.12588500976562	148.0
234.0980224609375	472.0
234.31781005859375	176.0
234.3600311279297	140.0
234.58987426757812	168.0
234.81045532226562	200.0
235.1007537841797	916.0
236.0309295654297	196.0
236.10028076171875	144.0
236.1276397705078	148.0
236.1868896484375	176.0
237.1114959716797	316.0
237.39971923828125	160.0
237.912109375	156.0
238.10888671875	744.0
238.1608428955078	188.0
238.63092041015625	2640.0
238.972412109375	156.0
239.13084411621094	836.0
239.2432403564453	220.0
239.39718627929688	328.0
239.63294982910156	180.0
239.71139526367188	180.0
240.1800079345703	240.0
240.4422607421875	164.0
240.9177703857422	224.0
241.1348876953125	136.0
242.71595764160156	160.0
242.94546508789062	164.0
243.04473876953125	160.0
243.06646728515625	188.0
243.1905975341797	180.0
243.3489227294922	188.0
243.61911010742188	184.0
243.68435668945312	176.0
243.7216339111328	160.0
244.0511016845703	176.0
244.08702087402344	576.0
244.24391174316406	156.0
244.74118041992188	168.0
244.7871856689453	148.0
244.95555114746094	116.0
245.0812225341797	584.0
245.19976806640625	160.0
245.37879943847656	104.0
245.441162109375	128.0
245.55715942382812	152.0
245.6768341064453	176.0
245.75299072265625	216.0
245.85189819335938	192.0
245.8982391357422	184.0
246.00228881835938	212.0
246.0902557373047	1916.0
246.13052368164062	400.0
246.2451629638672	216.0
246.26719665527344	276.0
246.30873107910156	152.0
246.35238647460938	148.0
246.39537048339844	196.0
246.45062255859375	156.0
246.47604370117188	240.0
246.5087432861328	340.0
246.57017517089844	336.0
246.62832641601562	4300.0
246.6790771484375	320.0
246.70977783203125	140.0
246.77505493164062	124.0
246.81166076660156	180.0
246.8594970703125	160.0
246.90367126464844	132.0
246.9441375732422	168.0
247.0214385986328	208.0
247.0868682861328	2464.0
247.1312255859375	2304.0
247.1942596435547	404.0
247.232177734375	244.0
247.28639221191406	180.0
247.31967163085938	448.0
247.34353637695312	188.0
247.3941192626953	220.0
247.40362548828125	448.0
247.41610717773438	404.0
247.4630126953125	596.0
247.52500915527344	492.0
247.54747009277344	836.0
247.576416015625	1032.0
247.63983154296875	231496.0
247.72320556640625	176.0
247.74789428710938	260.0
247.8411407470703	472.0
247.86842346191406	528.0
247.93206787109375	996.0
247.97311401367188	568.0
248.02386474609375	600.0
248.0576629638672	360.0
248.09970092773438	668.0
248.14064025878906	182116.0
248.20355224609375	216.0
248.2281951904297	380.0
248.2771759033203	252.0
248.3498077392578	220.0
248.38832092285156	364.0
248.39964294433594	308.0
248.4271697998047	692.0
248.47056579589844	464.0
248.49505615234375	412.0
248.50299072265625	380.0
248.64114379882812	32100.0
248.69827270507812	500.0
248.72702026367188	620.0
248.83799743652344	220.0
248.87928771972656	124.0
248.91229248046875	188.0
248.940673828125	116.0
248.96751403808594	392.0
248.9888458251953	300.0
249.04525756835938	140.0
249.1132354736328	700.0
249.14190673828125	4392.0
249.21006774902344	244.0
249.24391174316406	476.0
249.34713745117188	136.0
249.3894500732422	132.0
249.4198760986328	180.0
249.48048400878906	192.0
249.5875244140625	328.0
249.61367797851562	144.0
249.648193359375	492.0
249.68215942382812	268.0
249.72621154785156	196.0
249.79159545898438	192.0
249.85910034179688	180.0
249.88829040527344	176.0
249.9590606689453	276.0
249.99765014648438	260.0
250.0607147216797	180.0
250.12059020996094	1528.0
250.16981506347656	224.0
250.23104858398438	256.0
250.26080322265625	380.0
250.30523681640625	332.0
250.31649780273438	312.0
250.35203552246094	192.0
250.35952758789062	212.0
250.37220764160156	368.0
250.4164276123047	608.0
250.4428253173828	504.0
250.4770050048828	448.0
250.5052947998047	256.0
250.5631561279297	124.0
250.6306610107422	260.0
250.69589233398438	376.0
250.72740173339844	124.0
250.77642822265625	228.0
250.81072998046875	176.0
250.8615264892578	108.0
250.8963165283203	156.0
250.920654296875	108.0
250.963623046875	288.0
251.03326416015625	156.0
251.07545471191406	188.0
251.1013946533203	140.0
251.12525939941406	708.0
251.505859375	116.0
251.55374145507812	148.0
251.74111938476562	100.0
251.76454162597656	128.0
251.80026245117188	188.0
251.90606689453125	144.0
251.94932556152344	144.0
252.01251220703125	180.0
252.1205596923828	204.0
252.21975708007812	104.0
252.3636932373047	108.0
252.61793518066406	104.0
253.3919677734375	148.0
253.4779815673828	204.0
253.55958557128906	132.0
255.21762084960938	132.0
255.5636444091797	180.0
255.95046997070312	136.0
256.55938720703125	104.0
256.68804931640625	160.0
256.7231140136719	144.0
256.9156188964844	180.0
256.9783020019531	148.0
257.1346435546875	152.0
257.3128967285156	224.0
258.4474792480469	184.0
258.58563232421875	184.0
258.73870849609375	132.0
258.9477844238281	104.0
259.09765625	9316.0
259.18310546875	140.0
259.44073486328125	280.0
259.54693603515625	104.0
259.8395080566406	108.0
259.89208984375	192.0
260.009765625	124.0
260.1054382324219	6652.0
260.3126220703125	172.0
260.3880310058594	144.0
260.45355224609375	228.0
260.6605224609375	144.0
261.0439453125	112.0
261.1134338378906	24552.0
261.21771240234375	128.0
261.420166015625	104.0
261.59320068359375	212.0
261.79541015625	464.0
261.8460693359375	100.0
261.9061279296875	160.0
261.9331359863281	164.0
261.9948425292969	184.0
262.0475158691406	184.0
262.10986328125	71784.0
262.2369689941406	108.0
262.31597900390625	112.0
262.3954772949219	128.0
262.6606750488281	108.0
262.7493896484375	188.0
262.8077392578125	136.0
262.8888854980469	156.0
262.9875183105469	164.0
263.0412292480469	180.0
263.11077880859375	10324.0
263.1626281738281	152.0
263.2506408691406	160.0
263.3218994140625	152.0
263.48828125	180.0
263.5524597167969	112.0
263.66070556640625	136.0
263.9005126953125	156.0
263.9515380859375	144.0
264.01629638671875	320.0
264.0654602050781	164.0
264.1130676269531	2080.0
264.5922546386719	160.0
264.9140930175781	96.0
264.9683837890625	108.0
265.00238037109375	112.0
265.1162109375	340.0
265.1611328125	104.0
265.25604248046875	136.0
265.2962341308594	100.0
265.48095703125	116.0
266.1011047363281	224.0
266.7235412597656	144.0
267.5971374511719	188.0
267.7419128417969	160.0
268.1165771484375	172.0
268.1485290527344	1044.0
268.5224304199219	100.0
268.6585998535156	520.0
269.0788269042969	180.0
269.140869140625	156.0
269.1637268066406	228.0
270.42364501953125	100.0
271.7703857421875	116.0
272.119384765625	148.0
272.7268371582031	156.0
273.12060546875	272.0
273.1288757324219	184.0
274.09857177734375	360.0
274.4036865234375	172.0
274.6716613769531	196.0
275.1164245605469	452.0
275.3816833496094	208.0
275.4696044921875	228.0
275.9014587402344	176.0
276.1243896484375	16928.0
276.3377990722656	120.0
276.382080078125	148.0
277.1324157714844	37520.0
277.88519287109375	220.0
277.9372863769531	168.0
278.136474609375	7960.0
278.97393798828125	132.0
279.13360595703125	508.0
279.678466796875	100.0
279.8156433105469	144.0
280.0383605957031	104.0
280.1373596191406	236.0
280.5535888671875	168.0
282.67193603515625	144.0
284.07763671875	192.0
284.2762451171875	180.0
284.7063903808594	144.0
286.1073303222656	2216.0
286.14794921875	196.0
287.108154296875	284.0
287.1404724121094	120.0
288.09014892578125	576.0
288.12347412109375	568.0
289.0847473144531	276.0
289.12457275390625	140.0
289.416748046875	164.0
290.1293029785156	1244.0
290.85076904296875	184.0
291.1399230957031	140.0
292.09521484375	340.0
293.091796875	356.0
294.1019287109375	144.0
298.1255798339844	252.0
298.5105895996094	172.0
299.1291198730469	144.0
299.2503662109375	164.0
300.1186218261719	160.0
301.28515625	156.0
302.1063537597656	168.0
303.109375	144.0
303.88519287109375	168.0
304.1185607910156	2344.0
304.24761962890625	140.0
304.7887878417969	196.0
305.1204833984375	592.0
306.1292724609375	312.0
306.416259765625	220.0
307.0576477050781	144.0
307.1308898925781	192.0
307.18670654296875	148.0
307.6717834472656	192.0
309.5738525390625	140.0
310.1449279785156	172.0
311.1274108886719	148.0
311.5520324707031	268.0
315.11260986328125	232.0
316.151611328125	164.0
317.1418151855469	484.0
318.14886474609375	128.0
319.7145080566406	112.0
320.94537353515625	144.0
321.8266906738281	196.0
323.1262512207031	124.0
324.1444396972656	172.0
325.1491394042969	224.0
327.160400390625	220.0
329.1552734375	204.0
331.75665283203125	148.0
332.46392822265625	156.0
333.1199645996094	248.0
334.12445068359375	168.0
335.1280822753906	140.0
337.14666748046875	104.0
338.13604736328125	148.0
339.1177673339844	140.0
339.1588134765625	96.0
340.1689147949219	152.0
341.18280029296875	160.0
341.77435302734375	196.0
348.11810302734375	152.0
349.1449279785156	416.0
350.14910888671875	652.0
350.77081298828125	248.0
350.9982604980469	176.0
351.1226806640625	712.0
351.1573181152344	936.0
351.33392333984375	140.0
351.6772155761719	172.0
352.158203125	1128.0
353.1633605957031	288.0
354.15130615234375	148.0
355.14691162109375	168.0
359.1269836425781	156.0
359.2608337402344	164.0
360.1293640136719	284.0
360.1576843261719	152.0
361.1404113769531	496.0
361.8619689941406	104.0
362.1392822265625	1468.0
362.9900817871094	148.0
363.139892578125	756.0
363.468017578125	176.0
364.1253967285156	212.0
364.1427001953125	168.0
364.8733215332031	152.0
365.1465759277344	152.0
365.74066162109375	164.0
366.17254638671875	1836.0
367.0130615234375	148.0
367.17620849609375	1240.0
368.1719970703125	364.0
368.9181823730469	184.0
369.1284484863281	148.0
371.0045471191406	148.0
372.47808837890625	148.0
375.110107421875	156.0
375.99169921875	148.0
376.1548156738281	4124.0
376.232666015625	172.0
376.32391357421875	156.0
376.526123046875	152.0
376.63427734375	192.0
376.9124450683594	252.0
377.1632385253906	10504.0
377.23773193359375	164.0
377.7059631347656	108.0
378.1341857910156	2060.0
378.1680603027344	4936.0
379.0035705566406	100.0
379.0677490234375	144.0
379.1512756347656	3420.0
379.69964599609375	144.0
379.7461853027344	140.0
379.8058166503906	212.0
380.00830078125	112.0
380.1502685546875	18884.0
380.2217712402344	408.0
380.3063659667969	148.0
380.3591003417969	124.0
380.4566955566406	152.0
380.7942810058594	140.0
381.1526184082031	4672.0
381.2758483886719	148.0
382.15673828125	932.0
382.5851745605469	96.0
383.1651611328125	320.0
383.53985595703125	120.0
383.8294982910156	152.0
383.88800048828125	256.0
388.84075927734375	200.0
390.17926025390625	228.0
392.142578125	128.0
393.1604309082031	316.0
393.4264221191406	144.0
393.8984375	120.0
393.9814758300781	188.0
394.0595703125	168.0
394.167236328125	12028.0
394.69647216796875	132.0
394.7531433105469	148.0
394.83349609375	108.0
394.9261474609375	112.0
395.17462158203125	23928.0
395.7124938964844	136.0
395.90008544921875	180.0
396.0848693847656	184.0
396.17706298828125	8892.0
396.4456787109375	116.0
397.1805419921875	1468.0
397.6326599121094	164.0
398.1931457519531	248.0
398.2506103515625	180.0
399.1794128417969	240.0
400.99871826171875	152.0
405.17669677734375	164.0
406.1824951171875	116.0
408.18548583984375	200.0
409.154296875	256.0
410.1529235839844	184.0
413.59478759765625	156.0
419.2012634277344	228.0
420.17205810546875	300.0
421.18218994140625	156.0
422.1876220703125	144.0
423.13690185546875	156.0
423.1878356933594	568.0
424.1941223144531	108.0
427.162841796875	1092.0
428.1694641113281	268.0
434.9991149902344	132.0
437.20623779296875	2580.0
437.6707763671875	144.0
438.2156677246094	264.0
438.39141845703125	176.0
439.2174377441406	340.0
474.22271728515625	96.0
483.3198547363281	96.0
505.1456604003906	100.0
692.6951904296875	96.0
791.614990234375	132.0
872.4308471679688	144.0
1068.2559814453125	208.0
1109.8831787109375	152.0
1280.0506591796875	188.0
1281.2115478515625	164.0
1339.8065185546875	156.0
1365.8009033203125	160.0
1404.57080078125	184.0
1416.7703857421875	148.0
1418.2391357421875	144.0
1428.6767578125	228.0
1429.767822265625	140.0
1453.58740234375	160.0
1462.600830078125	208.0
1468.795654296875	156.0
1475.3017578125	176.0
1480.4664306640625	180.0
1496.56884765625	200.0
1502.8736572265625	164.0
1512.162353515625	140.0
1521.611572265625	256.0
1532.4923095703125	184.0
1535.6339111328125	180.0
1549.5482177734375	216.0
1577.1444091796875	180.0
1590.357666015625	216.0
1597.0159912109375	156.0
1635.220947265625	164.0
1642.9564208984375	140.0
1644.9093017578125	208.0
1674.5125732421875	148.0
1681.924072265625	140.0
1685.468505859375	220.0
1689.8427734375	232.0
1730.8743896484375	196.0
1738.0941162109375	144.0
1740.252197265625	148.0
1741.2901611328125	236.0
1744.0985107421875	172.0
1751.21240234375	164.0
1753.45361328125	252.0
1758.3575439453125	164.0
1761.547119140625	164.0
1762.842041015625	152.0
1767.4913330078125	172.0
1768.8555908203125	152.0
1769.2071533203125	212.0
1770.3123779296875	176.0
1773.6719970703125	220.0
1775.399169921875	176.0
1775.4661865234375	212.0
1779.183349609375	160.0
1780.2076416015625	152.0
1811.45654296875	168.0
1821.99267578125	156.0
1823.4967041015625	220.0
1828.327392578125	168.0
1836.8731689453125	148.0
1841.3515625	184.0
1842.490234375	152.0
1844.14794921875	192.0
1846.319580078125	256.0
1864.2796630859375	236.0
1865.8095703125	192.0
1868.5272216796875	144.0
1872.06494140625	140.0
1879.728271484375	164.0
1881.678955078125	156.0
1885.739013671875	148.0
1902.994873046875	188.0
1910.15576171875	204.0
1915.1434326171875	180.0
1918.2132568359375	252.0
1920.713134765625	184.0
1922.8944091796875	144.0
1931.1683349609375	208.0
1943.2044677734375	200.0
1944.37158203125	196.0
1948.3228759765625	192.0
1963.568359375	252.0
1971.2752685546875	152.0
1977.2711181640625	200.0
1977.6517333984375	172.0
1980.166259765625	160.0
1982.4342041015625	152.0
1987.9322509765625	204.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079218
PEPMASS=494.27298
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=34.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=IMATINIB MESYLATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1
INCHI=InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
INCHIAUX=KTUFNOKKBVMGRW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079218
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079218
SCANS=1037
66.34091186523438	240.0
66.40739440917969	192.0
70.14350891113281	156.0
71.67366027832031	140.0
77.92420959472656	192.0
84.08342742919922	204.0
87.53834533691406	180.0
92.45623779296875	156.0
98.08464050292969	196.0
99.09593200683594	176.0
105.03264617919922	188.0
107.0740737915039	152.0
107.5792465209961	148.0
109.07486724853516	164.0
111.08788299560547	188.0
112.09906768798828	144.0
115.42558288574219	168.0
119.04733276367188	324.0
120.05780792236328	172.0
121.08058166503906	164.0
123.7671890258789	172.0
129.05015563964844	192.0
131.0178680419922	164.0
131.05992126464844	452.0
132.04275512695312	164.0
132.06610107421875	176.0
133.4944305419922	188.0
137.11752319335938	184.0
137.4090118408203	164.0
142.1242218017578	164.0
143.6492156982422	140.0
146.06129455566406	164.0
148.111328125	156.0
149.08360290527344	156.0
150.72113037109375	168.0
158.05303955078125	160.0
160.80984497070312	152.0
161.13812255859375	184.0
166.57472229003906	184.0
167.0888671875	156.0
168.1066436767578	164.0
172.07281494140625	176.0
173.09288024902344	184.0
174.11264038085938	188.0
179.0806121826172	244.0
180.09046936035156	228.0
182.384033203125	152.0
185.07911682128906	140.0
186.09625244140625	148.0
189.140380859375	336.0
190.1029815673828	168.0
190.1432342529297	128.0
192.0646209716797	204.0
192.0955810546875	212.0
193.0879669189453	124.0
194.09396362304688	276.0
200.4088897705078	184.0
201.15625	172.0
203.09263610839844	96.0
204.08184814453125	284.0
206.08485412597656	180.0
207.0762939453125	176.0
207.09632873535156	168.0
209.06871032714844	148.0
209.1090087890625	200.0
212.77723693847656	152.0
214.12355041503906	248.0
214.71807861328125	140.0
217.1337127685547	2292.0
218.1346435546875	448.0
219.09291076660156	136.0
220.0762176513672	168.0
221.10757446289062	904.0
221.4841766357422	144.0
222.0914306640625	3672.0
223.09649658203125	1400.0
224.09844970703125	184.0
224.7126007080078	144.0
225.08868408203125	152.0
229.09568786621094	148.0
231.0912628173828	168.0
231.56954956054688	216.0
235.10227966308594	140.0
236.08290100097656	152.0
237.09927368164062	152.0
238.11000061035156	572.0
239.10745239257812	140.0
241.10006713867188	164.0
246.10440063476562	144.0
246.98568725585938	152.0
247.08668518066406	3196.0
247.63742065429688	232.0
248.08932495117188	628.0
249.0980682373047	192.0
250.11404418945312	152.0
251.10968017578125	176.0
251.55142211914062	184.0
257.4698791503906	156.0
260.0920715332031	160.0
261.1059875488281	196.0
261.2199401855469	168.0
262.091796875	148.0
262.682373046875	160.0
263.1156005859375	180.0
264.11236572265625	1992.0
264.62261962890625	128.0
265.0953674316406	796.0
265.1494140625	220.0
265.3770751953125	172.0
271.6515808105469	128.0
273.104248046875	140.0
274.10101318359375	628.0
275.1012268066406	152.0
276.1224670410156	316.0
277.1535949707031	148.0
279.1285705566406	148.0
280.1236877441406	140.0
282.07733154296875	148.0
282.65771484375	200.0
283.1808166503906	172.0
286.1484375	152.0
288.1034240722656	140.0
289.9045104980469	164.0
290.1302490234375	1632.0
291.1282653808594	652.0
293.56915283203125	176.0
295.97479248046875	156.0
308.8528747558594	160.0
309.1607666015625	172.0
311.1333923339844	124.0
314.6794128417969	172.0
315.1562194824219	172.0
323.13836669921875	144.0
324.1194152832031	200.0
325.1988525390625	176.0
326.1539001464844	160.0
328.1666564941406	188.0
332.38409423828125	140.0
333.1210021972656	136.0
334.1208190917969	140.0
334.18994140625	188.0
335.9021911621094	204.0
337.1455383300781	184.0
338.1217346191406	136.0
340.6793518066406	160.0
341.1561279296875	124.0
343.37371826171875	164.0
348.1849365234375	164.0
348.5861511230469	152.0
350.1324157714844	328.0
350.6217346191406	164.0
351.12841796875	612.0
351.1599426269531	488.0
352.1307067871094	276.0
352.1581115722656	436.0
353.1438903808594	152.0
355.17401123046875	140.0
361.1287841796875	156.0
362.13800048828125	136.0
364.1086120605469	144.0
364.1519775390625	396.0
365.1296691894531	272.0
366.1728515625	916.0
367.168212890625	352.0
369.16668701171875	156.0
370.1884460449219	376.0
375.9007568359375	156.0
376.15362548828125	1472.0
376.34271240234375	96.0
377.14715576171875	968.0
377.6662902832031	196.0
377.70745849609375	380.0
378.04156494140625	152.0
378.1391906738281	936.0
379.1416931152344	3104.0
379.2020263671875	228.0
379.25189208984375	116.0
380.1463928222656	1032.0
380.68536376953125	188.0
381.1501159667969	232.0
382.181884765625	188.0
385.9263000488281	152.0
390.1724548339844	128.0
392.16021728515625	156.0
392.7752990722656	152.0
394.1663513183594	25228.0
394.43768310546875	200.0
395.1708068847656	6460.0
395.2947082519531	144.0
395.3666076660156	116.0
395.9519348144531	148.0
396.10357666015625	160.0
396.1708679199219	600.0
396.4932861328125	100.0
397.18365478515625	108.0
397.86370849609375	144.0
398.1786804199219	132.0
400.4329833984375	196.0
405.6994323730469	152.0
407.07965087890625	176.0
410.1990051269531	136.0
410.5283203125	184.0
412.1886901855469	112.0
413.683837890625	196.0
415.2153015136719	112.0
416.00665283203125	140.0
417.2213134765625	152.0
417.90863037109375	172.0
430.0718078613281	160.0
431.1662902832031	148.0
439.2002258300781	180.0
451.7518005371094	188.0
455.03192138671875	200.0
456.2214660644531	140.0
456.6934814453125	180.0
467.4876403808594	196.0
470.73876953125	172.0
472.55767822265625	232.0
473.328125	164.0
475.76043701171875	160.0
476.2552185058594	276.0
477.2522277832031	276.0
478.2542724609375	260.0
483.0684814453125	140.0
483.2522277832031	160.0
485.4072265625	236.0
486.8553771972656	156.0
492.3072509765625	168.0
493.3374328613281	100.0
493.4750671386719	164.0
493.6329650878906	180.0
493.8031005859375	128.0
493.90478515625	148.0
493.95550537109375	116.0
494.19659423828125	1040.0
494.267822265625	46440.0
494.5401306152344	116.0
494.6664123535156	172.0
494.77166748046875	188.0
494.82562255859375	240.0
495.1416931152344	160.0
495.1932373046875	312.0
495.26953125	16144.0
495.3840637207031	140.0
495.42108154296875	164.0
495.6308288574219	104.0
495.8555908203125	120.0
495.9776916503906	104.0
496.1976318359375	160.0
496.27252197265625	2884.0
496.3755798339844	176.0
496.84747314453125	132.0
497.27471923828125	416.0
497.4018859863281	116.0
497.4568786621094	96.0
497.6043395996094	252.0
497.7408447265625	164.0
497.82769775390625	120.0
498.0098571777344	192.0
498.0540466308594	136.0
498.1005859375	100.0
498.2144775390625	136.0
498.2458801269531	160.0
498.3134765625	104.0
498.3868713378906	108.0
499.3570861816406	120.0
522.6942138671875	152.0
1223.8431396484375	176.0
1236.8701171875	144.0
1432.809814453125	200.0
1594.447998046875	144.0
1823.55615234375	172.0
1859.1270751953125	172.0
1914.202880859375	144.0
1917.9664306640625	180.0
1938.4609375	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079219
PEPMASS=303.247437
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=5-Nonyloxytryptamine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
INCHI=InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19/h9-10,14-15,21H,2-8,11-13,20H2,1H3
INCHIAUX=YHSMSRREJYOGQJ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079219
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079219
SCANS=1626
44.91618728637695	208.0
45.03313446044922	200.0
45.13603591918945	152.0
45.255123138427734	264.0
45.434715270996094	144.0
45.75322723388672	144.0
45.842124938964844	196.0
46.21345901489258	172.0
46.34479522705078	188.0
46.8433952331543	160.0
47.3035888671875	200.0
47.588748931884766	148.0
47.6162109375	192.0
47.731685638427734	148.0
48.03464126586914	200.0
48.14506149291992	184.0
48.19755554199219	244.0
48.21137237548828	196.0
48.25007629394531	140.0
48.64289855957031	236.0
49.55839538574219	196.0
49.59062576293945	168.0
49.6270751953125	144.0
49.72526931762695	212.0
49.84323501586914	144.0
49.8685302734375	212.0
49.97681427001953	220.0
50.064456939697266	168.0
50.28260803222656	152.0
50.30377960205078	140.0
50.723907470703125	248.0
50.986488342285156	148.0
51.13154983520508	180.0
51.24404525756836	196.0
51.32243728637695	164.0
51.492950439453125	148.0
51.77256393432617	152.0
51.90153503417969	200.0
52.72061538696289	160.0
52.88549041748047	172.0
52.95499038696289	200.0
53.601470947265625	160.0
53.70688247680664	144.0
53.815887451171875	164.0
53.86262130737305	164.0
54.12879943847656	160.0
54.344268798828125	208.0
54.64693832397461	148.0
55.087745666503906	196.0
55.293270111083984	140.0
55.417659759521484	200.0
55.50050354003906	112.0
55.747074127197266	148.0
57.06697463989258	168.0
57.152706146240234	144.0
57.220436096191406	144.0
57.34546661376953	168.0
57.606510162353516	164.0
57.630680084228516	156.0
57.69264602661133	140.0
58.18804931640625	144.0
58.20323181152344	176.0
58.38406753540039	164.0
58.93894577026367	196.0
59.050540924072266	172.0
59.29243850708008	152.0
59.38136291503906	176.0
59.52006912231445	108.0
59.636234283447266	140.0
59.98255920410156	172.0
60.00876998901367	184.0
60.039608001708984	144.0
60.09513854980469	228.0
60.12445831298828	188.0
60.20473861694336	168.0
60.26189041137695	180.0
60.59918212890625	164.0
60.86606216430664	192.0
61.08510208129883	184.0
61.28593444824219	220.0
61.876319885253906	164.0
61.920166015625	144.0
62.156883239746094	164.0
62.238502502441406	152.0
62.25577926635742	160.0
62.77035903930664	168.0
62.91954040527344	196.0
63.02606964111328	184.0
63.6453971862793	164.0
63.735939025878906	140.0
63.8758430480957	144.0
63.89079666137695	160.0
64.17684173583984	164.0
64.18963623046875	168.0
64.26296997070312	196.0
64.37150573730469	140.0
64.7713394165039	212.0
65.15473937988281	148.0
65.55382537841797	120.0
65.87161254882812	140.0
65.91039276123047	160.0
65.9394760131836	164.0
66.05104064941406	236.0
66.25987243652344	156.0
66.31874084472656	188.0
66.4171142578125	148.0
66.54856872558594	176.0
66.98780059814453	152.0
67.84561920166016	200.0
68.02442932128906	144.0
68.10572814941406	212.0
68.46178436279297	200.0
68.65459442138672	176.0
68.6661376953125	144.0
68.89723205566406	168.0
69.08072662353516	148.0
69.23465728759766	204.0
69.26778411865234	176.0
69.65428161621094	184.0
69.93196105957031	148.0
70.0401840209961	164.0
70.23187255859375	156.0
70.2552261352539	156.0
70.71306610107422	188.0
71.32527923583984	140.0
71.33704376220703	152.0
71.35553741455078	232.0
71.61804962158203	152.0
71.65006256103516	164.0
71.91818237304688	352.0
72.34415435791016	220.0
72.42373657226562	148.0
72.50337219238281	188.0
72.95146942138672	192.0
73.2168960571289	176.0
73.32763671875	252.0
74.08973693847656	160.0
74.16342163085938	176.0
74.2405776977539	176.0
74.29546356201172	188.0
74.56160736083984	188.0
74.98326110839844	160.0
75.05049133300781	196.0
75.06428527832031	140.0
75.1988525390625	140.0
75.26741790771484	156.0
75.82839965820312	248.0
75.928955078125	152.0
76.24666595458984	160.0
76.40837860107422	144.0
76.60335540771484	144.0
76.95564270019531	168.0
77.50485229492188	140.0
77.72930145263672	160.0
77.96660614013672	148.0
78.2442855834961	144.0
78.55621337890625	140.0
78.93063354492188	204.0
79.0332260131836	184.0
79.27050018310547	196.0
79.73723602294922	176.0
79.78878784179688	152.0
80.16078186035156	188.0
80.60331726074219	164.0
81.6538314819336	144.0
81.73838806152344	168.0
82.37842559814453	164.0
82.41455841064453	176.0
82.67314147949219	140.0
83.82981872558594	136.0
84.15643310546875	188.0
84.51284790039062	148.0
84.76920318603516	148.0
84.82316589355469	216.0
84.91402435302734	140.0
85.16180419921875	188.0
85.38787078857422	212.0
86.08448028564453	184.0
86.298828125	140.0
86.36540222167969	176.0
86.5099105834961	164.0
88.14657592773438	180.0
88.18382263183594	168.0
88.20812225341797	204.0
88.48686218261719	188.0
88.60243225097656	204.0
88.62358856201172	140.0
88.67044067382812	184.0
88.77729797363281	168.0
88.82794189453125	280.0
89.35771179199219	172.0
89.45557403564453	164.0
89.61376953125	192.0
89.70800018310547	232.0
89.7683334350586	216.0
89.7928466796875	160.0
90.47687530517578	144.0
91.013427734375	140.0
91.05330657958984	188.0
91.38406372070312	152.0
91.39738464355469	196.0
91.56681060791016	152.0
91.69636535644531	236.0
92.18138122558594	212.0
92.35889434814453	148.0
92.42202758789062	188.0
92.57324981689453	180.0
92.82235717773438	164.0
93.03724670410156	140.0
93.20331573486328	128.0
93.47010803222656	188.0
93.60829162597656	144.0
94.04399108886719	144.0
94.13858795166016	160.0
94.2728271484375	168.0
94.50331115722656	236.0
94.59294128417969	196.0
95.00182342529297	156.0
95.02510833740234	292.0
95.05809020996094	168.0
95.14155578613281	168.0
95.306640625	148.0
95.5730209350586	220.0
95.62556457519531	168.0
95.85536193847656	160.0
96.17129516601562	180.0
96.39198303222656	164.0
96.49948120117188	144.0
96.56597137451172	144.0
97.54439544677734	176.0
97.65843963623047	200.0
98.47046661376953	220.0
98.56134033203125	200.0
98.6368408203125	196.0
99.53986358642578	152.0
100.04288482666016	152.0
100.22810363769531	144.0
100.27394104003906	184.0
100.41948699951172	156.0
100.4474105834961	220.0
100.88873291015625	164.0
100.92272186279297	176.0
100.94471740722656	156.0
101.65785217285156	244.0
102.33403778076172	160.0
102.36343383789062	160.0
102.61933135986328	184.0
102.78069305419922	200.0
103.05327606201172	216.0
103.13410949707031	160.0
103.16240692138672	180.0
103.44156646728516	148.0
103.59749603271484	140.0
103.6420669555664	196.0
103.8305892944336	176.0
104.0477066040039	160.0
104.096435546875	196.0
105.06993103027344	1412.0
105.18158721923828	164.0
105.55750274658203	156.0
105.84016418457031	144.0
106.06649780273438	280.0
106.08778381347656	140.0
106.11238861083984	200.0
106.46736907958984	156.0
106.6687240600586	184.0
106.81884002685547	140.0
106.89701843261719	148.0
106.99787139892578	172.0
107.04886627197266	328.0
107.407958984375	160.0
107.47603607177734	208.0
108.25613403320312	176.0
108.48738861083984	172.0
110.06026458740234	156.0
110.25035858154297	172.0
110.34442138671875	368.0
110.81951904296875	164.0
111.34813690185547	168.0
112.0296401977539	184.0
112.06756591796875	148.0
112.33741760253906	176.0
112.5991439819336	236.0
113.0240478515625	168.0
113.32471466064453	144.0
113.43067932128906	196.0
113.54517364501953	196.0
114.19081115722656	188.0
114.39082336425781	160.0
114.65067291259766	200.0
114.94495391845703	196.0
115.0196533203125	140.0
115.05438232421875	4148.0
115.17338562011719	144.0
116.02108764648438	168.0
116.058837890625	488.0
116.58958435058594	176.0
117.05787658691406	2024.0
117.67522430419922	152.0
117.94742584228516	204.0
118.04254913330078	156.0
118.06363677978516	244.0
118.7020263671875	176.0
119.11536407470703	176.0
119.44359588623047	140.0
119.74613952636719	236.0
119.77131652832031	168.0
120.0770263671875	156.0
121.27336883544922	160.0
121.4180679321289	196.0
121.72969055175781	228.0
121.74945068359375	240.0
121.90103149414062	144.0
122.01972198486328	168.0
123.05963897705078	168.0
123.59452056884766	172.0
123.80260467529297	216.0
123.88455200195312	164.0
124.4389877319336	160.0
124.57001495361328	148.0
124.81004333496094	172.0
125.68095397949219	160.0
125.7635269165039	152.0
125.81932830810547	232.0
125.88246154785156	160.0
126.61759185791016	152.0
126.723388671875	176.0
127.09955596923828	156.0
127.61616516113281	148.0
129.0614471435547	196.0
129.2491912841797	240.0
129.50726318359375	176.0
129.80641174316406	220.0
130.0332794189453	152.0
130.06558227539062	1212.0
130.2989501953125	152.0
130.50804138183594	176.0
130.87664794921875	148.0
130.96546936035156	156.0
131.04806518554688	864.0
131.07301330566406	1224.0
131.25033569335938	164.0
131.48301696777344	176.0
131.54006958007812	168.0
131.79129028320312	152.0
131.9787139892578	164.0
132.0440216064453	360.0
132.08126831054688	15612.0
132.28756713867188	200.0
132.88571166992188	152.0
133.06356811523438	2980.0
133.08328247070312	1092.0
133.2231903076172	148.0
133.6853485107422	164.0
133.82115173339844	156.0
133.97393798828125	128.0
134.05838012695312	1304.0
134.0975799560547	180.0
134.3027801513672	148.0
135.05943298339844	176.0
135.72671508789062	216.0
136.2213897705078	176.0
137.1524658203125	188.0
137.4089813232422	200.0
137.67041015625	180.0
137.83627319335938	184.0
138.01858520507812	160.0
138.07003784179688	188.0
138.64828491210938	220.0
138.709228515625	164.0
139.18548583984375	152.0
139.2110137939453	156.0
139.25828552246094	160.0
139.35459899902344	152.0
139.6954803466797	172.0
139.75665283203125	144.0
140.04891967773438	156.0
140.6167755126953	144.0
140.7265167236328	172.0
140.99229431152344	144.0
141.05831909179688	176.0
141.54110717773438	156.0
142.06512451171875	5804.0
142.572998046875	148.0
142.6966094970703	168.0
143.04978942871094	104.0
143.0733642578125	2348.0
143.20108032226562	148.0
143.64920043945312	144.0
144.0501708984375	160.0
144.07867431640625	456.0
145.05343627929688	340.0
145.0803985595703	164.0
145.24708557128906	188.0
145.56869506835938	164.0
145.6602783203125	152.0
146.06040954589844	468.0
146.1035614013672	464.0
146.24183654785156	168.0
146.27793884277344	148.0
146.516357421875	188.0
147.10629272460938	136.0
147.17236328125	156.0
147.77774047851562	180.0
148.0754852294922	1348.0
148.96453857421875	144.0
149.07797241210938	172.0
149.54566955566406	212.0
149.65765380859375	168.0
149.6941680908203	224.0
149.7428741455078	144.0
150.29380798339844	160.0
150.61361694335938	168.0
150.7553253173828	156.0
150.89219665527344	140.0
150.9508819580078	144.0
152.3376007080078	176.0
153.01686096191406	176.0
153.16954040527344	144.0
153.19664001464844	220.0
153.81805419921875	172.0
153.8531494140625	204.0
154.25775146484375	148.0
154.6658935546875	168.0
155.10430908203125	140.0
155.4490509033203	156.0
155.53343200683594	184.0
156.18443298339844	208.0
156.25408935546875	156.0
156.41262817382812	164.0
157.0575408935547	136.0
157.45555114746094	164.0
157.75289916992188	164.0
158.0602264404297	216.0
158.36843872070312	144.0
158.52127075195312	164.0
158.64659118652344	228.0
159.0675506591797	6604.0
159.23875427246094	176.0
159.3794403076172	164.0
159.51376342773438	160.0
159.536376953125	188.0
159.559814453125	172.0
159.6760711669922	192.0
159.6936798095703	140.0
159.82640075683594	132.0
159.8562774658203	152.0
159.87171936035156	140.0
159.91004943847656	152.0
159.9733428955078	188.0
160.00628662109375	156.0
160.04153442382812	356.0
160.0767822265625	184336.0
160.15670776367188	100.0
160.17445373535156	328.0
160.20782470703125	136.0
160.27847290039062	296.0
160.3143310546875	120.0
160.34043884277344	200.0
160.38674926757812	108.0
160.48965454101562	932.0
160.53848266601562	144.0
160.61587524414062	144.0
160.7472381591797	180.0
160.9144744873047	96.0
160.9764404296875	184.0
161.0179901123047	124.0
161.07936096191406	17612.0
161.12498474121094	104.0
161.35324096679688	96.0
161.3735809326172	156.0
161.49351501464844	140.0
161.54454040527344	212.0
161.61776733398438	108.0
161.72317504882812	108.0
161.83609008789062	140.0
161.9589080810547	128.0
162.0223388671875	164.0
162.05284118652344	196.0
162.0883331298828	2032.0
162.14576721191406	108.0
162.22091674804688	148.0
162.25230407714844	96.0
162.29476928710938	156.0
162.31459045410156	140.0
162.33859252929688	112.0
162.3704833984375	112.0
162.4315185546875	188.0
162.49899291992188	104.0
162.57516479492188	148.0
162.8428955078125	168.0
163.0980987548828	196.0
163.15150451660156	160.0
163.1737060546875	160.0
163.2164764404297	140.0
163.3227081298828	108.0
163.7661590576172	172.0
165.32608032226562	148.0
165.89468383789062	160.0
166.0690460205078	188.0
166.10116577148438	104.0
167.3565216064453	152.0
168.5843505859375	144.0
168.8506317138672	144.0
170.07049560546875	288.0
170.22152709960938	208.0
170.76206970214844	156.0
170.91217041015625	108.0
171.057373046875	324.0
171.280029296875	176.0
171.92662048339844	156.0
172.0778350830078	356.0
172.49337768554688	160.0
173.1147003173828	228.0
174.05172729492188	132.0
174.0918426513672	604.0
174.2754669189453	168.0
175.00140380859375	152.0
175.0619659423828	164.0
175.09352111816406	144.0
175.97848510742188	164.0
176.2146453857422	196.0
176.79901123046875	156.0
177.86978149414062	168.0
178.72817993164062	200.0
179.44198608398438	208.0
179.7327117919922	156.0
180.250732421875	224.0
180.3584747314453	128.0
180.52606201171875	148.0
180.7412109375	128.0
182.03207397460938	180.0
182.15023803710938	232.0
182.42971801757812	232.0
183.26939392089844	180.0
184.6812744140625	172.0
185.54238891601562	168.0
185.5640869140625	144.0
185.93026733398438	152.0
186.0171356201172	188.0
186.09585571289062	144.0
186.21534729003906	196.0
186.57945251464844	184.0
187.1970977783203	144.0
187.9876251220703	188.0
189.2696533203125	244.0
189.8944549560547	188.0
189.96852111816406	144.0
191.199462890625	172.0
191.90188598632812	188.0
192.2991180419922	140.0
193.49880981445312	164.0
193.76467895507812	184.0
193.78407287597656	196.0
195.2024383544922	156.0
195.40548706054688	204.0
196.38829040527344	184.0
196.8939971923828	172.0
197.70753479003906	140.0
198.69664001464844	196.0
199.53074645996094	216.0
199.72760009765625	152.0
199.9719696044922	136.0
200.00665283203125	160.0
200.10861206054688	172.0
201.40188598632812	184.0
202.1878662109375	204.0
202.47097778320312	160.0
204.42124938964844	172.0
205.18458557128906	208.0
205.5981903076172	148.0
205.79229736328125	140.0
206.17506408691406	160.0
206.41519165039062	164.0
206.57534790039062	200.0
207.617919921875	144.0
207.83018493652344	176.0
209.63023376464844	180.0
210.2531280517578	216.0
211.7970428466797	168.0
211.94479370117188	208.0
212.80914306640625	196.0
213.0879669189453	228.0
213.125732421875	200.0
215.74586486816406	176.0
217.11599731445312	132.0
217.7589111328125	156.0
219.05606079101562	144.0
220.56390380859375	212.0
220.87062072753906	132.0
220.97201538085938	180.0
222.4745635986328	156.0
222.85470581054688	160.0
223.22328186035156	156.0
224.7812042236328	212.0
225.03192138671875	144.0
225.43516540527344	160.0
226.38645935058594	148.0
227.05628967285156	156.0
227.5528564453125	192.0
228.82461547851562	160.0
231.51197814941406	172.0
231.8694610595703	160.0
232.4183349609375	208.0
232.5124053955078	252.0
233.2322235107422	196.0
233.2626190185547	196.0
234.6691131591797	156.0
235.48081970214844	168.0
235.57550048828125	140.0
236.75613403320312	180.0
238.41580200195312	220.0
238.84317016601562	172.0
239.97335815429688	156.0
240.17689514160156	164.0
242.15501403808594	144.0
242.45242309570312	192.0
242.55160522460938	176.0
243.19677734375	184.0
243.8459014892578	140.0
244.70445251464844	152.0
244.8601531982422	176.0
246.28237915039062	172.0
247.20777893066406	160.0
247.436279296875	144.0
248.6807403564453	168.0
249.30767822265625	180.0
249.75845336914062	172.0
253.5662078857422	148.0
255.9805908203125	184.0
257.0803527832031	160.0
257.6327209472656	168.0
258.2154846191406	216.0
259.22930908203125	188.0
259.5562744140625	168.0
260.2020568847656	596.0
260.237060546875	136.0
261.197998046875	204.0
264.8577575683594	160.0
265.20770263671875	152.0
265.65380859375	128.0
266.2881164550781	164.0
267.80377197265625	148.0
268.833984375	144.0
270.38629150390625	212.0
270.6023254394531	196.0
271.10675048828125	164.0
273.21405029296875	216.0
273.3726501464844	144.0
274.2167663574219	4632.0
274.34429931640625	224.0
274.36737060546875	152.0
274.5981750488281	176.0
274.6773376464844	140.0
275.0997314453125	188.0
275.21728515625	952.0
275.4927062988281	172.0
275.71160888671875	256.0
275.91241455078125	140.0
276.0248107910156	168.0
276.2203674316406	144.0
276.3158874511719	148.0
276.4912414550781	152.0
276.5144348144531	148.0
277.76129150390625	124.0
278.02899169921875	204.0
280.31689453125	188.0
280.7102355957031	212.0
280.75360107421875	144.0
282.20947265625	180.0
282.5271911621094	240.0
282.828369140625	176.0
283.40771484375	160.0
283.6370544433594	212.0
284.202880859375	180.0
284.4957580566406	232.0
284.8400573730469	164.0
285.1678771972656	268.0
285.19439697265625	288.0
285.2758483886719	308.0
285.3218994140625	160.0
285.37664794921875	264.0
285.4534912109375	120.0
285.4988708496094	104.0
285.5163879394531	280.0
285.56719970703125	112.0
285.6306457519531	164.0
285.6788330078125	312.0
285.76220703125	132.0
285.794921875	140.0
285.8595886230469	356.0
285.9251708984375	176.0
285.9695129394531	368.0
285.9992980957031	276.0
286.0734558105469	376.0
286.13629150390625	444.0
286.2187194824219	270796.0
286.3062744140625	136.0
286.3586120605469	124.0
286.43695068359375	196.0
286.4818115234375	252.0
286.541259765625	244.0
286.578125	536.0
286.6067199707031	252.0
286.65264892578125	264.0
286.7283020019531	252.0
286.77142333984375	6264.0
286.8165588378906	400.0
286.8544006347656	188.0
286.9103088378906	324.0
286.9424743652344	188.0
286.9902038574219	216.0
287.0224304199219	220.0
287.07562255859375	172.0
287.111572265625	228.0
287.2208557128906	81336.0
287.32379150390625	240.0
287.3570251464844	172.0
287.41046142578125	272.0
287.6717224121094	108.0
287.7030334472656	104.0
287.85650634765625	108.0
287.9013977050781	116.0
288.0364685058594	124.0
288.12384033203125	168.0
288.2229309082031	7496.0
288.3828125	160.0
288.4939270019531	144.0
288.5574645996094	100.0
288.6133117675781	108.0
288.71343994140625	140.0
288.76593017578125	216.0
288.8159484863281	268.0
288.88702392578125	196.0
288.9158020019531	236.0
288.9642028808594	164.0
289.0806884765625	280.0
289.1386413574219	312.0
289.19244384765625	268.0
289.2274169921875	300.0
289.2604675292969	140.0
289.3009338378906	124.0
289.3734130859375	344.0
289.5090637207031	144.0
289.6479187011719	140.0
289.7749328613281	192.0
289.84881591796875	112.0
289.93328857421875	96.0
289.9727478027344	112.0
290.1344909667969	144.0
290.3167724609375	136.0
290.50079345703125	164.0
290.5782775878906	144.0
290.9169616699219	124.0
291.1427001953125	144.0
291.4230041503906	124.0
292.01824951171875	112.0
297.0577392578125	152.0
297.0908203125	96.0
297.9502868652344	148.0
300.19097900390625	152.0
301.0640563964844	168.0
301.2314453125	156.0
302.26702880859375	196.0
302.6616516113281	160.0
303.1397705078125	140.0
303.1753845214844	156.0
303.2430114746094	3660.0
304.2449035644531	468.0
304.2933044433594	100.0
304.7253723144531	144.0
305.1552429199219	220.0
315.6121520996094	140.0
423.7962341308594	156.0
743.50634765625	140.0
765.7747192382812	152.0
770.2203369140625	144.0
875.1959228515625	180.0
961.459716796875	96.0
1017.8328247070312	268.0
1128.8406982421875	156.0
1149.8748779296875	144.0
1151.1102294921875	204.0
1177.391357421875	156.0
1217.785888671875	240.0
1247.609619140625	160.0
1266.7691650390625	172.0
1321.2213134765625	148.0
1327.044189453125	160.0
1328.34228515625	204.0
1330.744384765625	180.0
1341.861572265625	212.0
1346.568115234375	176.0
1353.3690185546875	220.0
1364.8887939453125	160.0
1365.1461181640625	172.0
1370.00390625	180.0
1374.936767578125	188.0
1391.4063720703125	204.0
1429.30859375	140.0
1440.8896484375	204.0
1442.4691162109375	148.0
1478.0472412109375	156.0
1489.839111328125	176.0
1490.6995849609375	144.0
1504.9342041015625	172.0
1514.26025390625	176.0
1518.4609375	240.0
1566.4697265625	148.0
1572.525390625	172.0
1573.685791015625	180.0
1583.8477783203125	152.0
1593.0255126953125	168.0
1623.483154296875	156.0
1624.7183837890625	164.0
1636.66162109375	200.0
1640.1983642578125	176.0
1641.8753662109375	160.0
1642.197998046875	140.0
1650.2086181640625	172.0
1675.408447265625	140.0
1682.144287109375	148.0
1698.796875	192.0
1699.1168212890625	188.0
1702.8353271484375	144.0
1706.79638671875	160.0
1719.812744140625	152.0
1720.5626220703125	128.0
1728.6474609375	140.0
1729.8392333984375	144.0
1733.5579833984375	140.0
1734.13818359375	168.0
1734.8592529296875	188.0
1735.7298583984375	148.0
1736.68359375	176.0
1736.857666015625	208.0
1737.9361572265625	204.0
1758.5408935546875	192.0
1759.1920166015625	212.0
1764.4383544921875	156.0
1769.3826904296875	216.0
1776.53955078125	160.0
1783.16455078125	144.0
1786.4185791015625	164.0
1789.515625	176.0
1798.6370849609375	156.0
1802.4036865234375	140.0
1804.8126220703125	168.0
1809.7540283203125	140.0
1817.2889404296875	196.0
1820.2427978515625	156.0
1821.98388671875	176.0
1823.114013671875	184.0
1823.470947265625	144.0
1824.8055419921875	160.0
1826.8551025390625	252.0
1827.1954345703125	188.0
1827.9781494140625	196.0
1835.533935546875	176.0
1836.4635009765625	140.0
1847.2772216796875	144.0
1850.65771484375	160.0
1850.8289794921875	196.0
1851.4713134765625	188.0
1853.31298828125	168.0
1860.93798828125	144.0
1864.898193359375	168.0
1874.735107421875	164.0
1877.26953125	152.0
1877.4161376953125	156.0
1877.7784423828125	228.0
1892.1138916015625	140.0
1892.34765625	156.0
1895.855712890625	160.0
1899.306396484375	168.0
1899.47119140625	200.0
1900.1912841796875	188.0
1907.16943359375	184.0
1914.1590576171875	160.0
1921.131591796875	140.0
1925.4783935546875	168.0
1932.6639404296875	160.0
1935.5787353515625	164.0
1936.318603515625	160.0
1938.8111572265625	184.0
1939.2581787109375	140.0
1943.30078125	232.0
1950.2432861328125	124.0
1956.985595703125	168.0
1957.8397216796875	144.0
1958.0863037109375	176.0
1964.06201171875	208.0
1969.2607421875	140.0
1971.4959716796875	172.0
1972.5123291015625	160.0
1973.2637939453125	164.0
1977.819580078125	180.0
1979.041259765625	220.0
1984.561279296875	140.0
1984.7386474609375	200.0
1988.9171142578125	184.0
1989.3875732421875	144.0
1989.84912109375	212.0
1991.065673828125	156.0
1991.55419921875	168.0
1992.362548828125	140.0
1994.637451171875	148.0
1994.770751953125	168.0
1995.1441650390625	196.0
1998.915283203125	168.0
1999.778564453125	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079220
PEPMASS=416.285309
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Salmeterol [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2
INCHI=InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
INCHIAUX=GIIZNNXWQWCKIB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079220
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079220
SCANS=1207
45.8408088684082	200.0
46.24055480957031	196.0
46.92247009277344	176.0
47.66432571411133	156.0
47.76743698120117	220.0
50.87715148925781	200.0
51.46944046020508	176.0
52.358543395996094	176.0
52.37726593017578	140.0
53.05500793457031	220.0
55.21785354614258	160.0
55.89730453491211	148.0
56.3311653137207	176.0
56.53899383544922	152.0
58.22301483154297	176.0
60.2155876159668	148.0
62.863468170166016	156.0
63.2332763671875	168.0
65.56671142578125	152.0
69.58789825439453	144.0
72.16487121582031	144.0
75.5116195678711	188.0
75.89259338378906	192.0
77.79955291748047	224.0
86.38765716552734	208.0
87.17192840576172	148.0
87.33553314208984	140.0
91.05559539794922	1020.0
91.99398040771484	192.0
92.05570983886719	320.0
94.44401550292969	184.0
95.12608337402344	192.0
95.37083435058594	176.0
95.46026611328125	140.0
96.44090270996094	152.0
97.5936050415039	240.0
98.09805297851562	212.0
98.50213623046875	180.0
100.11463165283203	196.0
100.3377914428711	164.0
104.05968475341797	152.0
104.4053955078125	200.0
105.07032775878906	464.0
105.10002136230469	224.0
105.4430923461914	168.0
105.58211517333984	168.0
106.34220886230469	244.0
106.67290496826172	148.0
107.05148315429688	188.0
109.06452941894531	148.0
109.22047424316406	180.0
110.09619140625	260.0
115.05418395996094	112.0
115.51333618164062	164.0
116.06829071044922	132.0
116.51445770263672	148.0
117.07652282714844	116.0
118.07318878173828	180.0
118.16483306884766	128.0
118.71826171875	188.0
119.0434799194336	176.0
119.08395385742188	168.0
120.07552337646484	324.0
121.0656967163086	796.0
122.06581115722656	180.0
122.87432861328125	208.0
124.01094055175781	196.0
124.11055755615234	132.0
124.60786437988281	164.0
125.07708740234375	184.0
125.98914337158203	168.0
127.88169860839844	148.0
128.06407165527344	304.0
129.07290649414062	332.0
130.06622314453125	392.0
131.04873657226562	324.0
131.08482360839844	1732.0
132.08560180664062	228.0
132.44107055664062	204.0
132.7069091796875	160.0
133.06491088867188	3500.0
133.09971618652344	476.0
133.16815185546875	184.0
133.38873291015625	140.0
133.43931579589844	188.0
133.89723205566406	220.0
134.06228637695312	324.0
134.0972137451172	164.0
134.946044921875	136.0
134.99803161621094	188.0
135.08047485351562	2220.0
136.08282470703125	428.0
136.30078125	144.0
139.77320861816406	180.0
140.71128845214844	140.0
142.06118774414062	196.0
142.42816162109375	180.0
143.08851623535156	140.0
144.09100341796875	156.0
144.23193359375	156.0
144.6146240234375	196.0
144.75827026367188	152.0
145.0653533935547	524.0
145.101318359375	860.0
146.06126403808594	456.0
146.10311889648438	268.0
147.078125	728.0
148.07676696777344	2972.0
149.02780151367188	208.0
149.083984375	840.0
150.09117126464844	1560.0
151.07522583007812	492.0
152.0762481689453	248.0
152.34066772460938	152.0
154.39878845214844	172.0
154.7328338623047	140.0
156.0886688232422	148.0
157.09848022460938	148.0
158.06704711914062	168.0
158.09510803222656	168.0
158.814697265625	156.0
158.97024536132812	172.0
159.0795440673828	508.0
159.1183319091797	192.0
160.07650756835938	1816.0
161.08392333984375	344.0
161.1179962158203	348.0
162.09027099609375	1584.0
163.0930938720703	132.0
163.1166229248047	228.0
164.07969665527344	144.0
164.10635375976562	1048.0
165.07293701171875	140.0
165.10736083984375	168.0
165.78713989257812	164.0
166.0819549560547	256.0
167.7301788330078	176.0
168.71627807617188	152.0
170.0736541748047	144.0
171.07867431640625	504.0
171.47732543945312	176.0
172.072021484375	200.0
172.11729431152344	188.0
172.425537109375	164.0
173.0889434814453	292.0
174.09512329101562	228.0
174.50425720214844	168.0
174.5568389892578	140.0
175.10777282714844	172.0
175.13845825195312	236.0
175.7236785888672	152.0
176.10963439941406	176.0
177.99998474121094	188.0
178.0929412841797	244.0
178.12396240234375	124.0
178.40383911132812	152.0
179.0876922607422	168.0
179.33282470703125	176.0
181.0373077392578	164.0
181.48480224609375	188.0
183.07557678222656	180.0
184.08953857421875	220.0
184.83018493652344	140.0
185.06838989257812	140.0
185.0989227294922	172.0
185.1333770751953	136.0
185.58319091796875	144.0
185.6118927001953	156.0
186.09170532226562	256.0
187.09530639648438	168.0
188.11170959472656	404.0
188.30859375	208.0
190.1248779296875	192.0
191.08676147460938	152.0
191.21334838867188	176.0
195.06634521484375	160.0
197.09805297851562	144.0
198.10525512695312	140.0
199.10658264160156	156.0
199.39877319335938	164.0
199.6939697265625	144.0
200.10568237304688	312.0
201.11322021484375	436.0
202.12290954589844	120.0
203.13748168945312	152.0
203.16429138183594	144.0
203.57064819335938	116.0
203.75604248046875	176.0
204.13998413085938	104.0
204.87979125976562	168.0
205.04791259765625	204.0
205.18472290039062	180.0
207.0767059326172	112.0
209.0972442626953	192.0
211.846435546875	172.0
212.1159210205078	192.0
212.14773559570312	176.0
212.2347869873047	152.0
213.12503051757812	176.0
215.09750366210938	188.0
215.120849609375	160.0
215.1412811279297	324.0
215.21719360351562	184.0
216.13751220703125	164.0
217.00489807128906	152.0
217.14910888671875	380.0
218.15402221679688	340.0
219.09744262695312	164.0
219.1592254638672	132.0
221.10235595703125	164.0
221.32733154296875	156.0
221.7390899658203	224.0
222.1018829345703	156.0
222.5073699951172	212.0
222.9469757080078	164.0
223.0391082763672	172.0
223.11044311523438	184.0
224.4711151123047	168.0
227.05189514160156	180.0
227.6701202392578	156.0
228.14828491210938	224.0
228.26812744140625	156.0
229.14903259277344	216.0
229.69869995117188	180.0
230.15426635742188	7116.0
230.59848022460938	156.0
231.15574645996094	1556.0
231.23207092285156	104.0
232.16943359375	11940.0
232.35301208496094	112.0
232.7645263671875	204.0
233.17164611816406	1384.0
233.21719360351562	140.0
234.14210510253906	304.0
234.18057250976562	392.0
234.8278350830078	144.0
235.17079162597656	148.0
236.16867065429688	164.0
239.19410705566406	152.0
240.10610961914062	192.0
240.12770080566406	140.0
240.58436584472656	140.0
243.1038360595703	180.0
246.6481170654297	172.0
247.15243530273438	372.0
248.16494750976562	4284.0
249.1680145263672	368.0
249.2113800048828	156.0
249.9099578857422	184.0
250.2227783203125	116.0
250.80398559570312	160.0
251.08143615722656	188.0
251.17356872558594	168.0
251.747314453125	216.0
253.04901123046875	160.0
254.1466827392578	144.0
255.31805419921875	208.0
256.8795471191406	140.0
257.53387451171875	164.0
259.0340576171875	168.0
259.4891052246094	148.0
260.01837158203125	156.0
262.1344299316406	176.0
263.14691162109375	164.0
263.1956787109375	188.0
264.0358581542969	208.0
266.1693420410156	252.0
267.08135986328125	148.0
268.0254821777344	196.0
268.0873718261719	152.0
269.6375427246094	176.0
270.10015869140625	120.0
271.1167907714844	144.0
274.7969055175781	152.0
279.15576171875	120.0
280.12384033203125	164.0
280.1730651855469	160.0
281.0573425292969	160.0
281.1630859375	224.0
282.09588623046875	108.0
283.08837890625	252.0
283.1164855957031	172.0
285.1361083984375	152.0
285.5058898925781	172.0
286.08978271484375	348.0
290.11480712890625	156.0
291.0953674316406	160.0
294.5863952636719	184.0
295.5440979003906	156.0
297.173828125	300.0
298.17376708984375	208.0
298.390380859375	148.0
299.7706298828125	192.0
300.10113525390625	136.0
301.10211181640625	156.0
302.1038818359375	184.0
303.593994140625	200.0
305.96368408203125	152.0
308.1163024902344	408.0
308.19775390625	128.0
309.11224365234375	136.0
310.1240539550781	212.0
311.63653564453125	164.0
311.9387512207031	168.0
314.1078796386719	192.0
314.2066650390625	156.0
314.5842590332031	184.0
317.1487731933594	196.0
317.4430236816406	184.0
318.2698059082031	140.0
318.4402770996094	176.0
319.5102233886719	160.0
319.60272216796875	184.0
322.1161193847656	152.0
325.1164855957031	180.0
325.98553466796875	180.0
326.1294860839844	136.0
326.4169006347656	160.0
327.12567138671875	152.0
328.1415710449219	172.0
329.0976867675781	160.0
329.682861328125	148.0
332.0976867675781	152.0
333.3138427734375	180.0
334.4339294433594	228.0
335.00927734375	168.0
337.1035461425781	204.0
337.68115234375	172.0
338.21343994140625	160.0
338.240966796875	236.0
339.0137634277344	172.0
341.1829833984375	156.0
342.1468505859375	192.0
343.0678405761719	140.0
343.145263671875	148.0
345.36834716796875	144.0
346.86053466796875	148.0
348.6792297363281	152.0
351.6811218261719	216.0
352.2262878417969	172.0
352.2657775878906	144.0
352.693359375	148.0
352.9961853027344	164.0
353.1981201171875	180.0
353.2691955566406	144.0
353.67333984375	184.0
354.1810607910156	192.0
355.2396240234375	176.0
355.7574768066406	200.0
356.6382751464844	124.0
356.86199951171875	176.0
357.1515808105469	172.0
359.6119689941406	168.0
362.20196533203125	204.0
362.2452087402344	216.0
363.2785339355469	260.0
364.8393249511719	144.0
366.3805847167969	172.0
367.01324462890625	152.0
367.26715087890625	132.0
369.2701416015625	268.0
370.9050598144531	152.0
371.0852355957031	184.0
371.165771484375	140.0
371.5761413574219	164.0
373.87396240234375	144.0
374.8210754394531	176.0
378.17333984375	156.0
378.2336730957031	196.0
379.6634521484375	136.0
379.820068359375	160.0
380.0193786621094	180.0
380.14984130859375	180.0
380.2590637207031	23912.0
381.26336669921875	5512.0
381.8203125	200.0
381.9875793457031	160.0
382.2624206542969	684.0
383.1951599121094	244.0
383.26873779296875	104.0
383.521728515625	148.0
383.6949768066406	124.0
383.7517395019531	140.0
384.1378173828125	164.0
384.171630859375	192.0
385.3363037109375	204.0
387.2726745605469	140.0
387.5273132324219	168.0
390.18377685546875	140.0
392.0106506347656	156.0
392.19195556640625	156.0
392.3653869628906	164.0
393.10296630859375	196.0
393.7464599609375	140.0
394.14544677734375	168.0
394.4181213378906	180.0
395.7893981933594	104.0
395.9350280761719	148.0
396.0166320800781	200.0
396.242431640625	148.0
396.47015380859375	128.0
396.5713195800781	144.0
396.8586120605469	120.0
396.9347839355469	176.0
397.1938781738281	388.0
397.2489013671875	136.0
397.7255554199219	192.0
397.7572937011719	160.0
397.84100341796875	96.0
398.0222473144531	120.0
398.19110107421875	568.0
398.2707824707031	104776.0
398.3528137207031	236.0
398.5562438964844	136.0
398.60174560546875	96.0
398.6745300292969	160.0
398.7698669433594	112.0
398.87158203125	196.0
398.921142578125	304.0
399.1275939941406	236.0
399.1636962890625	308.0
399.2006530761719	204.0
399.27276611328125	22364.0
399.66937255859375	96.0
399.7507629394531	172.0
399.82537841796875	208.0
399.86993408203125	204.0
399.9689025878906	112.0
400.02093505859375	96.0
400.1273498535156	228.0
400.2760314941406	3340.0
400.4364929199219	124.0
400.7016296386719	112.0
400.8385314941406	148.0
400.87939453125	244.0
401.0194396972656	148.0
401.2196960449219	104.0
401.2750549316406	308.0
401.7112121582031	120.0
401.7215881347656	156.0
401.828369140625	128.0
401.8944091796875	216.0
402.0574645996094	124.0
402.4290771484375	148.0
402.75982666015625	96.0
402.8658447265625	116.0
402.93194580078125	136.0
403.0015869140625	104.0
403.349853515625	144.0
403.6457214355469	148.0
405.1746520996094	144.0
405.68359375	156.0
406.17681884765625	144.0
406.7110900878906	188.0
409.8876037597656	196.0
413.2069396972656	216.0
413.6534729003906	136.0
413.7089538574219	760.0
414.1061706542969	128.0
414.1402587890625	168.0
414.203857421875	548.0
414.2773132324219	112.0
414.707763671875	320.0
414.8153381347656	120.0
414.93182373046875	212.0
415.12237548828125	172.0
415.2035217285156	2088.0
415.3851318359375	240.0
415.5452575683594	148.0
415.58343505859375	132.0
415.687255859375	228.0
415.80828857421875	108.0
415.8585205078125	96.0
416.09942626953125	180.0
416.16070556640625	420.0
416.20367431640625	1060.0
416.2807312011719	68296.0
416.3879699707031	128.0
416.4994201660156	132.0
416.5329284667969	132.0
416.5953674316406	100.0
416.6564636230469	128.0
416.69573974609375	208.0
416.7461242675781	144.0
416.8704528808594	128.0
417.1070251464844	140.0
417.2131652832031	156.0
417.283935546875	19992.0
417.78643798828125	100.0
417.9604187011719	160.0
418.0920715332031	96.0
418.1294860839844	108.0
418.2869567871094	3844.0
418.9165344238281	108.0
418.9783935546875	160.0
419.1237487792969	120.0
419.2837829589844	452.0
419.5158386230469	96.0
419.54852294921875	140.0
419.7074279785156	104.0
419.736328125	200.0
419.85186767578125	240.0
419.9475402832031	188.0
420.015380859375	136.0
420.08843994140625	140.0
420.1787414550781	244.0
420.3525085449219	144.0
420.84527587890625	104.0
421.2763671875	148.0
423.1439514160156	120.0
451.2445373535156	156.0
533.911376953125	252.0
534.1735229492188	144.0
561.1643676757812	144.0
694.2489013671875	156.0
712.28759765625	132.0
1067.24853515625	184.0
1199.90576171875	144.0
1266.932861328125	220.0
1323.0531005859375	208.0
1339.888427734375	144.0
1348.7098388671875	216.0
1397.345458984375	180.0
1459.4217529296875	280.0
1495.514892578125	160.0
1532.4229736328125	208.0
1537.6944580078125	168.0
1558.2969970703125	224.0
1593.54296875	156.0
1627.17529296875	188.0
1643.497802734375	168.0
1655.88232421875	140.0
1675.9228515625	168.0
1687.7335205078125	180.0
1708.9442138671875	184.0
1714.23876953125	240.0
1715.7718505859375	148.0
1723.6705322265625	192.0
1729.169921875	264.0
1729.3851318359375	212.0
1766.387939453125	172.0
1806.1585693359375	160.0
1811.3642578125	204.0
1830.9759521484375	216.0
1832.2110595703125	156.0
1852.4232177734375	160.0
1928.36279296875	196.0
1935.0284423828125	140.0
1940.626953125	172.0
1941.9598388671875	204.0
1948.5787353515625	140.0
1962.2379150390625	180.0
1967.231201171875	180.0
1971.9656982421875	164.0
1978.9718017578125	212.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079221
PEPMASS=413.215576
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=VINCRISTINE SULFATE [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC[C@]1(O)C[C@@H]2CN(C1)CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@@H]7[C@@]86CCN9CC=C[C@](CC)([C@H]98)[C@@H](OC(=O)C)[C@]7(O)C(=O)OC
INCHI=InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
INCHIAUX=OGWKCGZFUXNPDA-CFWMRBGOSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079221
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079221
SCANS=1075
45.063907623291016	204.0
45.35028839111328	176.0
47.05073547363281	140.0
48.366329193115234	164.0
50.064144134521484	248.0
51.84281921386719	168.0
56.27593231201172	148.0
56.45225143432617	140.0
56.83572769165039	180.0
57.05500793457031	144.0
57.1407356262207	144.0
57.2686882019043	180.0
57.977272033691406	148.0
58.05458450317383	196.0
58.464759826660156	152.0
61.34678649902344	368.0
62.07695007324219	140.0
65.420166015625	140.0
66.09803009033203	152.0
67.1458511352539	200.0
67.93753051757812	232.0
68.50468444824219	160.0
70.42723846435547	200.0
71.00801849365234	172.0
71.4859390258789	108.0
72.31207275390625	184.0
74.42769622802734	152.0
78.30952453613281	152.0
78.76282501220703	188.0
78.80169677734375	220.0
79.0687026977539	144.0
80.6677474975586	144.0
80.68741607666016	156.0
81.38018035888672	168.0
83.29330444335938	148.0
83.69886016845703	156.0
86.04764556884766	176.0
86.32665252685547	208.0
89.30702209472656	152.0
90.30855560302734	160.0
91.05628204345703	212.0
91.46409606933594	188.0
91.72124481201172	148.0
92.0570297241211	176.0
93.05654907226562	284.0
93.06951904296875	224.0
93.08919525146484	140.0
93.46980285644531	140.0
94.05915832519531	164.0
95.06596374511719	156.0
95.0862808227539	708.0
95.34561157226562	184.0
96.3041763305664	144.0
97.06938171386719	192.0
98.09492492675781	428.0
98.7393569946289	200.0
99.06397247314453	140.0
99.08576202392578	168.0
100.07379913330078	152.0
100.98882293701172	188.0
101.00682830810547	148.0
102.63356018066406	180.0
103.0513687133789	144.0
104.20623016357422	148.0
104.5853042602539	108.0
105.06710052490234	188.0
105.10006713867188	160.0
105.85302734375	132.0
106.06602478027344	380.0
106.37715148925781	172.0
106.70378875732422	180.0
107.04534912109375	340.0
107.072021484375	244.0
107.08708953857422	148.0
107.10858917236328	116.0
107.48234558105469	176.0
108.08161926269531	1364.0
108.833984375	148.0
108.93367004394531	164.0
109.05210876464844	152.0
109.08120727539062	456.0
109.63275909423828	152.0
110.09548950195312	436.0
110.31526947021484	228.0
111.10030364990234	156.0
112.0755386352539	176.0
113.0892333984375	216.0
113.17657470703125	148.0
114.9258804321289	140.0
115.24828338623047	184.0
117.06945037841797	180.0
117.83301544189453	168.0
117.9281005859375	144.0
118.01024627685547	152.0
118.0643081665039	168.0
119.03176879882812	148.0
119.0872573852539	156.0
119.33934020996094	160.0
119.67440795898438	172.0
119.85737609863281	208.0
120.04159545898438	152.0
120.08385467529297	292.0
120.40055084228516	292.0
120.70211791992188	180.0
121.08881378173828	324.0
122.01545715332031	144.0
122.0960922241211	3928.0
123.0802993774414	452.0
123.10184478759766	712.0
124.11156463623047	2520.0
124.13507080078125	244.0
125.11356353759766	484.0
126.09082794189453	1456.0
126.1280288696289	368.0
127.09737396240234	328.0
128.1061248779297	300.0
129.23123168945312	184.0
129.43267822265625	224.0
129.61614990234375	148.0
130.06446838378906	948.0
130.60369873046875	148.0
131.07244873046875	192.0
131.6155548095703	180.0
132.0314483642578	152.0
132.0818328857422	384.0
133.05604553222656	428.0
133.0947265625	172.0
133.95025634765625	144.0
134.0570831298828	168.0
134.09471130371094	952.0
134.29832458496094	148.0
135.0656280517578	180.0
135.08351135253906	180.0
135.10684204101562	328.0
136.0795440673828	172.0
136.1092987060547	272.0
136.55889892578125	216.0
137.083984375	132.0
137.1207733154297	156.0
137.36480712890625	156.0
138.05848693847656	196.0
138.08973693847656	264.0
138.12847900390625	668.0
139.03863525390625	160.0
139.20677185058594	148.0
140.04635620117188	140.0
140.0702667236328	132.0
140.10702514648438	6204.0
140.6901092529297	144.0
141.1119384765625	508.0
141.5625762939453	196.0
141.9298553466797	156.0
142.02471923828125	156.0
142.0626678466797	204.0
142.12294006347656	1728.0
142.35223388671875	176.0
143.07269287109375	440.0
143.12574768066406	592.0
144.08102416992188	6388.0
144.11489868164062	180.0
144.50222778320312	152.0
145.0843048095703	676.0
145.91966247558594	180.0
146.0620574951172	148.0
146.09567260742188	212.0
147.10238647460938	252.0
148.09320068359375	576.0
148.11349487304688	164.0
148.3555908203125	208.0
149.06187438964844	144.0
149.10525512695312	156.0
149.1135711669922	132.0
150.0616912841797	168.0
150.0935516357422	956.0
151.06607055664062	616.0
152.0727996826172	316.0
152.10877990722656	248.0
152.14181518554688	112.0
152.9604034423828	160.0
153.08596801757812	204.0
153.1155242919922	272.0
153.68002319335938	160.0
154.06336975097656	148.0
154.12100219726562	1208.0
154.58934020996094	188.0
155.09848022460938	264.0
155.1292724609375	152.0
156.07720947265625	676.0
156.14041137695312	436.0
156.5977783203125	164.0
156.92173767089844	160.0
157.08895874023438	440.0
158.06593322753906	208.0
158.10678100585938	256.0
158.58409118652344	196.0
159.0880889892578	156.0
159.10353088378906	156.0
159.33187866210938	156.0
159.58822631835938	184.0
160.07264709472656	428.0
160.59689331054688	184.0
161.07882690429688	136.0
162.09286499023438	912.0
162.14791870117188	240.0
163.07174682617188	156.0
163.09561157226562	184.0
164.06979370117188	236.0
164.1055450439453	156.0
164.1358642578125	164.0
165.05255126953125	140.0
165.08946228027344	296.0
166.1230926513672	488.0
167.06948852539062	808.0
168.07415771484375	264.0
168.13551330566406	160.0
168.5767822265625	140.0
168.62330627441406	216.0
169.09130859375	184.0
169.1224822998047	196.0
169.57315063476562	192.0
169.5964813232422	204.0
170.06556701660156	196.0
170.0830535888672	244.0
170.10513305664062	200.0
170.15159606933594	144.0
170.5594482421875	140.0
171.0687713623047	180.0
171.08705139160156	316.0
171.5897979736328	200.0
171.68505859375	96.0
172.07542419433594	184.0
172.11997985839844	144.0
172.3142547607422	104.0
173.0814971923828	544.0
173.98414611816406	156.0
174.0915069580078	1556.0
174.58847045898438	144.0
175.09962463378906	188.0
176.06863403320312	116.0
176.11038208007812	176.0
177.13546752929688	140.0
177.92572021484375	144.0
178.11160278320312	152.0
179.1570281982422	164.0
179.58753967285156	172.0
180.07960510253906	196.0
180.10003662109375	312.0
180.57440185546875	304.0
181.18739318847656	144.0
181.6216583251953	144.0
182.05809020996094	156.0
182.0892791748047	568.0
182.631591796875	156.0
183.09637451171875	892.0
183.58229064941406	164.0
183.70635986328125	152.0
184.07530212402344	556.0
184.1050262451172	192.0
184.5688018798828	344.0
185.08209228515625	152.0
185.11329650878906	372.0
185.45855712890625	168.0
185.58326721191406	204.0
186.05262756347656	168.0
186.0892333984375	352.0
186.13136291503906	220.0
187.08859252929688	220.0
187.5732879638672	180.0
187.6005401611328	212.0
187.95782470703125	176.0
188.08926391601562	876.0
188.5916290283203	260.0
188.80465698242188	156.0
189.0939483642578	224.0
190.0857696533203	164.0
190.7568359375	168.0
191.08056640625	168.0
191.1005401611328	332.0
191.2079315185547	204.0
191.60719299316406	172.0
192.10397338867188	200.0
193.0792999267578	1016.0
193.35508728027344	188.0
193.6180877685547	152.0
194.08604431152344	224.0
194.12374877929688	196.0
195.10208129882812	160.0
195.58470153808594	360.0
196.08607482910156	120.0
196.10897827148438	160.0
196.58856201171875	140.0
197.09182739257812	616.0
197.5941925048828	316.0
197.7525177001953	168.0
198.09446716308594	296.0
198.11373901367188	220.0
198.58746337890625	184.0
199.07286071777344	200.0
199.08212280273438	192.0
199.11239624023438	100.0
199.61813354492188	204.0
199.72500610351562	180.0
200.0694122314453	248.0
200.10470581054688	532.0
200.4569854736328	176.0
200.58636474609375	172.0
200.7698974609375	172.0
201.0758514404297	264.0
201.78924560546875	188.0
202.08787536621094	116.0
202.12359619140625	152.0
202.59225463867188	476.0
203.08741760253906	504.0
203.12255859375	196.0
203.17459106445312	128.0
203.58595275878906	484.0
203.61695861816406	240.0
203.65670776367188	160.0
203.77603149414062	200.0
204.02896118164062	140.0
204.1005859375	320.0
204.60092163085938	220.0
205.079345703125	164.0
205.10459899902344	196.0
205.2931671142578	152.0
205.489990234375	216.0
205.59271240234375	176.0
206.0999755859375	324.0
206.5934600830078	192.0
207.09133911132812	348.0
207.59519958496094	172.0
208.1107177734375	260.0
208.13670349121094	152.0
208.58853149414062	160.0
208.8876495361328	140.0
209.11190795898438	320.0
209.13180541992188	188.0
209.56130981445312	156.0
209.60047912597656	336.0
209.62014770507812	256.0
210.09449768066406	140.0
210.57960510253906	344.0
210.62069702148438	172.0
211.0973358154297	164.0
211.5942840576172	212.0
212.07098388671875	284.0
212.1187744140625	168.0
212.5742645263672	216.0
212.62649536132812	188.0
213.1067352294922	280.0
213.60581970214844	148.0
214.08889770507812	708.0
214.1201629638672	120.0
214.58123779296875	152.0
214.60748291015625	164.0
214.6308135986328	180.0
215.08944702148438	268.0
215.47430419921875	220.0
215.5765838623047	156.0
215.59835815429688	168.0
216.1024932861328	380.0
216.60501098632812	180.0
217.06362915039062	180.0
217.0996551513672	316.0
217.59947204589844	476.0
218.02650451660156	164.0
218.09913635253906	456.0
218.4234161376953	216.0
219.0966339111328	144.0
219.11744689941406	192.0
219.5780029296875	192.0
219.61007690429688	196.0
220.0767059326172	148.0
220.10650634765625	220.0
220.13575744628906	168.0
220.60577392578125	152.0
221.0969696044922	428.0
221.6265869140625	164.0
222.1071014404297	316.0
222.60671997070312	288.0
223.0894317626953	292.0
223.14053344726562	136.0
223.614013671875	288.0
224.12677001953125	180.0
224.60556030273438	184.0
224.82919311523438	160.0
225.06439208984375	384.0
225.10484313964844	160.0
225.1389617919922	312.0
225.61233520507812	412.0
225.63499450683594	512.0
226.08631896972656	324.0
226.11497497558594	636.0
226.24298095703125	180.0
226.6153106689453	400.0
227.1040802001953	248.0
227.15049743652344	712.0
227.18397521972656	200.0
227.6056365966797	324.0
227.64096069335938	264.0
228.1022491455078	580.0
228.1599884033203	140.0
228.60897827148438	332.0
228.63912963867188	108.0
228.88954162597656	120.0
229.10195922851562	668.0
229.6031494140625	444.0
229.9541015625	124.0
230.07923889160156	116.0
230.10565185546875	400.0
230.11581420898438	216.0
230.6054229736328	368.0
231.10687255859375	392.0
231.60589599609375	176.0
232.1067352294922	344.0
232.6233673095703	428.0
233.0961456298828	176.0
233.1161651611328	220.0
233.62753295898438	184.0
234.09523010253906	264.0
234.14524841308594	180.0
234.63003540039062	176.0
234.8553924560547	168.0
235.13510131835938	560.0
235.60829162597656	212.0
235.63755798339844	528.0
236.10293579101562	180.0
236.14437866210938	200.0
236.60292053222656	232.0
237.11180114746094	476.0
237.55943298339844	188.0
237.61415100097656	1308.0
238.1004638671875	208.0
238.12289428710938	336.0
238.56668090820312	176.0
238.6149444580078	532.0
239.11094665527344	124.0
239.13755798339844	200.0
239.1942138671875	168.0
239.6182861328125	372.0
239.70237731933594	180.0
240.10105895996094	560.0
240.1291046142578	316.0
240.19874572753906	160.0
240.53199768066406	152.0
240.60777282714844	256.0
240.77590942382812	156.0
241.10824584960938	168.0
241.5548095703125	176.0
241.67855834960938	164.0
241.76519775390625	204.0
241.80233764648438	152.0
242.07785034179688	200.0
242.11097717285156	476.0
242.6030731201172	680.0
243.10377502441406	376.0
243.1392364501953	308.0
243.25912475585938	148.0
243.61109924316406	428.0
243.6414337158203	184.0
244.09329223632812	276.0
244.12286376953125	208.0
244.6035614013672	488.0
244.6446533203125	360.0
245.09263610839844	348.0
245.12840270996094	180.0
245.60601806640625	356.0
245.89236450195312	160.0
246.1045379638672	244.0
246.16397094726562	160.0
246.61524963378906	360.0
247.12022399902344	336.0
247.6100311279297	464.0
247.6387481689453	168.0
248.11721801757812	320.0
248.6297149658203	384.0
249.08920288085938	164.0
249.1370086669922	256.0
249.44113159179688	188.0
249.52915954589844	144.0
249.60626220703125	184.0
249.63433837890625	312.0
250.1088104248047	376.0
250.14341735839844	188.0
250.4214630126953	100.0
250.6171112060547	168.0
251.10137939453125	180.0
251.12303161621094	404.0
251.15098571777344	116.0
251.60992431640625	2228.0
252.00328063964844	200.0
252.02854919433594	152.0
252.1104278564453	1092.0
252.6152801513672	1036.0
252.72732543945312	144.0
253.119384765625	196.0
253.17276000976562	312.0
253.61390686035156	212.0
253.65524291992188	240.0
253.9501190185547	172.0
254.08016967773438	152.0
254.11322021484375	96.0
254.61483764648438	792.0
255.1156463623047	312.0
255.146484375	184.0
255.20765686035156	152.0
255.48753356933594	164.0
255.61582946777344	464.0
255.6424102783203	624.0
255.7580108642578	228.0
255.8694305419922	156.0
256.09991455078125	256.0
256.12078857421875	192.0
256.1426696777344	284.0
256.60369873046875	412.0
257.1063232421875	324.0
257.12969970703125	304.0
257.6361999511719	316.0
257.8630676269531	144.0
258.1155090332031	312.0
258.2691345214844	164.0
258.6322021484375	388.0
258.64434814453125	564.0
259.09442138671875	168.0
259.12481689453125	416.0
259.6244812011719	1160.0
259.81634521484375	224.0
259.92864990234375	220.0
260.1092224121094	404.0
260.1316833496094	580.0
260.3984069824219	180.0
260.6214294433594	340.0
260.73468017578125	176.0
261.1196594238281	532.0
261.1558532714844	160.0
261.28131103515625	164.0
261.53228759765625	172.0
261.6217346191406	540.0
261.7029113769531	152.0
262.1172790527344	172.0
262.5567626953125	136.0
262.62548828125	452.0
262.8407287597656	208.0
263.1127014160156	344.0
263.1361389160156	432.0
263.598388671875	236.0
263.6320495605469	380.0
264.10577392578125	164.0
264.1358947753906	752.0
264.6043395996094	300.0
264.6474914550781	4640.0
264.74627685546875	132.0
264.82379150390625	104.0
265.02374267578125	100.0
265.0556945800781	208.0
265.14630126953125	2136.0
265.3538818359375	148.0
265.6144104003906	556.0
265.64849853515625	612.0
265.75390625	200.0
266.1182861328125	692.0
266.15576171875	544.0
266.1778869628906	404.0
266.5717468261719	172.0
266.6158752441406	788.0
266.6539001464844	380.0
267.091064453125	140.0
267.1227111816406	400.0
267.62017822265625	1104.0
267.8802490234375	132.0
268.0965270996094	296.0
268.127685546875	336.0
268.1771240234375	188.0
268.31890869140625	272.0
268.6142883300781	832.0
269.1143798828125	696.0
269.1695861816406	316.0
269.6332092285156	888.0
269.8435974121094	140.0
270.0855712890625	148.0
270.1424560546875	468.0
270.59539794921875	152.0
270.6418151855469	504.0
271.11029052734375	140.0
271.1439208984375	544.0
271.1809997558594	260.0
271.6246032714844	296.0
272.095947265625	124.0
272.1260986328125	480.0
272.1378479003906	340.0
272.1767883300781	148.0
272.3702087402344	224.0
272.6434326171875	1036.0
273.1160888671875	568.0
273.14080810546875	528.0
273.621337890625	880.0
273.6470947265625	1296.0
274.0809326171875	140.0
274.12713623046875	700.0
274.6238098144531	172.0
274.65948486328125	220.0
275.117431640625	280.0
275.62078857421875	560.0
275.9656066894531	140.0
276.1294250488281	212.0
276.5963134765625	160.0
276.62457275390625	252.0
276.6463928222656	324.0
276.9194641113281	184.0
276.978271484375	152.0
277.1229248046875	288.0
277.1445007324219	608.0
277.17364501953125	464.0
277.6292419433594	840.0
277.9429931640625	148.0
278.1419372558594	564.0
278.64385986328125	1540.0
278.9194030761719	140.0
278.9426574707031	216.0
279.0623474121094	144.0
279.1473083496094	656.0
279.1866760253906	144.0
279.6513977050781	2320.0
279.7655944824219	168.0
280.1537780761719	1504.0
280.6280212402344	356.0
280.65643310546875	352.0
281.0841369628906	188.0
281.12939453125	452.0
281.159423828125	160.0
281.3277893066406	152.0
281.45465087890625	280.0
281.6204528808594	2812.0
281.6503601074219	376.0
282.1209411621094	1944.0
282.1702575683594	216.0
282.3937072753906	168.0
282.6275939941406	1784.0
283.13922119140625	372.0
283.1845703125	396.0
283.4013366699219	168.0
283.6376037597656	504.0
284.0923767089844	136.0
284.1525573730469	576.0
284.189453125	768.0
284.2563781738281	176.0
284.5617980957031	144.0
284.6453552246094	476.0
285.1407775878906	520.0
285.1871643066406	212.0
285.6531677246094	692.0
286.110595703125	412.0
286.1481628417969	1228.0
286.65167236328125	888.0
286.7833557128906	132.0
287.1086730957031	140.0
287.13043212890625	212.0
287.1521911621094	484.0
287.2897644042969	160.0
287.652099609375	516.0
288.1492004394531	316.0
288.449462890625	152.0
288.65765380859375	1128.0
289.13165283203125	652.0
289.1569519042969	908.0
289.2342224121094	172.0
289.29595947265625	132.0
289.6402282714844	848.0
289.70489501953125	148.0
290.12493896484375	396.0
290.1578063964844	180.0
290.6304626464844	864.0
291.1323547363281	620.0
291.6385498046875	588.0
292.1490478515625	1576.0
292.6485900878906	492.0
292.8060607910156	144.0
292.8401184082031	192.0
293.1528015136719	752.0
293.638916015625	820.0
294.14520263671875	656.0
294.4191589355469	152.0
294.6324768066406	464.0
295.1592102050781	176.0
295.1803894042969	600.0
295.34808349609375	172.0
295.62396240234375	204.0
295.6335754394531	228.0
296.10028076171875	176.0
296.1311340332031	152.0
296.1528015136719	124.0
296.1583557128906	456.0
296.1851806640625	464.0
296.6512756347656	700.0
296.7823791503906	108.0
297.1355895996094	308.0
297.16009521484375	316.0
297.6326599121094	352.0
297.99871826171875	192.0
298.13604736328125	324.0
298.1440734863281	124.0
298.15667724609375	460.0
298.6368408203125	812.0
298.765380859375	160.0
299.1360168457031	388.0
299.64764404296875	616.0
299.6983947753906	184.0
300.0926208496094	172.0
300.1473693847656	3580.0
300.6494140625	1788.0
300.7985534667969	152.0
301.14715576171875	724.0
301.5911865234375	152.0
301.63818359375	428.0
302.1112060546875	312.0
302.1493225097656	204.0
302.2723388671875	120.0
302.4577331542969	152.0
302.6567687988281	452.0
302.80584716796875	96.0
303.0810852050781	176.0
303.1368408203125	392.0
303.1520080566406	400.0
303.6334533691406	204.0
303.6745910644531	196.0
304.1258239746094	240.0
304.1631164550781	376.0
304.6238098144531	232.0
304.6493225097656	628.0
305.1620788574219	672.0
305.65631103515625	1500.0
305.845458984375	168.0
306.11297607421875	324.0
306.1611328125	228.0
306.6733093261719	220.0
307.1586608886719	528.0
307.5447692871094	108.0
307.57781982421875	304.0
307.6336669921875	1528.0
308.1326904296875	268.0
308.16900634765625	340.0
308.64190673828125	800.0
309.16058349609375	652.0
309.6595153808594	1176.0
310.1686096191406	960.0
310.3345031738281	152.0
310.6239318847656	336.0
310.6545104980469	184.0
310.8992614746094	196.0
311.1063537597656	156.0
311.1546936035156	732.0
311.6272277832031	576.0
311.6643981933594	328.0
312.1063537597656	192.0
312.13067626953125	444.0
312.18701171875	844.0
312.6403503417969	220.0
312.6910705566406	288.0
313.1324768066406	312.0
313.16400146484375	204.0
313.653564453125	524.0
313.7377624511719	256.0
314.05157470703125	152.0
314.0916748046875	212.0
314.17083740234375	1556.0
314.6065979003906	140.0
314.6718444824219	304.0
315.1287841796875	200.0
315.16632080078125	140.0
315.3438415527344	168.0
315.6354675292969	292.0
315.67474365234375	536.0
316.09710693359375	160.0
316.1661376953125	576.0
316.6506652832031	200.0
316.6780700683594	472.0
317.00006103515625	184.0
317.1443176269531	324.0
317.1672058105469	880.0
317.37579345703125	160.0
317.4183654785156	188.0
317.6678161621094	888.0
318.1658020019531	696.0
318.6783447265625	452.0
318.7850036621094	212.0
319.1677551269531	532.0
319.66009521484375	692.0
320.16143798828125	232.0
320.45025634765625	172.0
320.6361083984375	344.0
320.6620178222656	384.0
321.115234375	168.0
321.1534423828125	324.0
321.6688537597656	564.0
321.81500244140625	136.0
322.041259765625	156.0
322.17205810546875	972.0
322.2234191894531	164.0
322.41424560546875	120.0
322.6070861816406	160.0
322.6637268066406	320.0
323.1287536621094	160.0
323.1769714355469	2076.0
323.2436218261719	220.0
323.64215087890625	404.0
323.67999267578125	940.0
323.84368896484375	172.0
324.124267578125	136.0
324.176025390625	404.0
324.27740478515625	168.0
324.3929443359375	204.0
324.6737060546875	292.0
325.030517578125	172.0
325.1307373046875	796.0
325.1693115234375	832.0
325.189208984375	1140.0
325.68597412109375	352.0
325.9173889160156	144.0
326.1039733886719	132.0
326.1481018066406	452.0
326.172119140625	228.0
326.6781311035156	1012.0
326.9350280761719	168.0
327.1147155761719	96.0
327.1545104980469	228.0
327.3562316894531	144.0
327.46112060546875	264.0
327.6767883300781	164.0
328.115234375	312.0
328.1658020019531	1036.0
328.2503356933594	128.0
328.3508605957031	232.0
328.592529296875	160.0
328.6688537597656	224.0
329.05450439453125	172.0
329.15338134765625	292.0
329.6612243652344	1004.0
330.178955078125	1012.0
330.2608947753906	200.0
330.40740966796875	136.0
330.68231201171875	1496.0
330.7789001464844	200.0
331.1504821777344	240.0
331.1771240234375	392.0
331.30120849609375	116.0
331.66851806640625	572.0
331.744384765625	128.0
331.9842224121094	112.0
332.1198425292969	168.0
332.1789855957031	3524.0
332.3305358886719	132.0
332.6816101074219	1656.0
332.9507141113281	232.0
333.1019287109375	152.0
333.131591796875	120.0
333.1836242675781	932.0
333.6156311035156	164.0
333.68603515625	356.0
333.9608154296875	112.0
334.1043701171875	148.0
334.1617126464844	408.0
334.6597900390625	244.0
334.7034912109375	164.0
335.1077880859375	140.0
335.17529296875	1652.0
335.6690979003906	1224.0
335.9637145996094	108.0
336.17022705078125	580.0
336.3148193359375	152.0
336.767578125	248.0
336.9538879394531	160.0
337.0256652832031	168.0
337.17523193359375	1948.0
337.67218017578125	664.0
338.0572509765625	232.0
338.1660461425781	1568.0
338.6693420410156	1200.0
339.0928649902344	140.0
339.11810302734375	140.0
339.18670654296875	6708.0
339.4794616699219	176.0
339.5601501464844	140.0
339.6898498535156	2468.0
340.1218566894531	288.0
340.19012451171875	1428.0
340.2940673828125	168.0
340.6144104003906	168.0
340.6828918457031	216.0
341.06658935546875	188.0
341.1372375488281	436.0
341.1639404296875	384.0
341.65386962890625	172.0
341.79876708984375	104.0
342.146240234375	212.0
342.7215576171875	204.0
342.7831726074219	156.0
343.1415100097656	548.0
343.17767333984375	288.0
343.2449645996094	140.0
343.2892150878906	176.0
343.6752624511719	104.0
343.7503356933594	148.0
343.92242431640625	120.0
344.1812744140625	10464.0
344.32562255859375	288.0
344.3733215332031	128.0
344.6817932128906	5908.0
344.78802490234375	232.0
345.01934814453125	96.0
345.1833801269531	1232.0
345.6776123046875	380.0
345.7569580078125	276.0
345.9198303222656	172.0
346.1358642578125	188.0
346.171630859375	928.0
346.64202880859375	140.0
346.6765441894531	356.0
347.1706237792969	424.0
347.3575744628906	188.0
347.4672546386719	128.0
347.6711120605469	640.0
348.1930847167969	1788.0
348.4945068359375	208.0
348.6935119628906	856.0
348.7381896972656	188.0
348.9321594238281	188.0
349.0423278808594	176.0
349.1747131347656	1692.0
349.4253234863281	112.0
349.67791748046875	432.0
349.8733825683594	168.0
350.08935546875	180.0
350.17779541015625	384.0
350.45318603515625	100.0
350.50537109375	164.0
350.677978515625	200.0
350.7471618652344	136.0
351.17510986328125	496.0
351.3617858886719	184.0
351.40972900390625	180.0
351.52081298828125	232.0
351.6719665527344	156.0
351.716064453125	240.0
352.0859375	136.0
352.1747131347656	936.0
352.261962890625	96.0
352.32958984375	136.0
352.4259338378906	240.0
352.59088134765625	148.0
352.673095703125	364.0
352.89080810546875	200.0
352.96240234375	172.0
353.133544921875	564.0
353.1876220703125	50264.0
353.3126525878906	108.0
353.3475036621094	240.0
353.37640380859375	164.0
353.57318115234375	180.0
353.6881103515625	23392.0
353.7992248535156	480.0
353.8077392578125	208.0
353.8205261230469	336.0
353.85430908203125	196.0
354.0475158691406	208.0
354.1439514160156	388.0
354.1883544921875	6472.0
354.2550354003906	220.0
354.3396301269531	176.0
354.4185485839844	172.0
354.494873046875	160.0
354.68902587890625	1168.0
354.86334228515625	116.0
354.885009765625	216.0
354.93267822265625	108.0
355.0478210449219	188.0
355.1061706542969	148.0
355.1503601074219	416.0
355.1923828125	580.0
355.5774841308594	204.0
356.05206298828125	108.0
356.1487731933594	352.0
356.2122802734375	228.0
356.26202392578125	200.0
356.4232177734375	148.0
356.6654968261719	156.0
357.1593322753906	764.0
357.2162170410156	200.0
357.9533386230469	180.0
358.1771240234375	1604.0
358.61474609375	100.0
358.6813659667969	844.0
359.1725769042969	508.0
359.672119140625	284.0
360.1435241699219	128.0
360.1824645996094	216.0
360.7008361816406	392.0
361.15447998046875	312.0
361.18890380859375	448.0
361.4676818847656	176.0
361.663330078125	108.0
361.693115234375	400.0
361.8448791503906	128.0
361.9288330078125	120.0
361.9517517089844	140.0
362.13250732421875	104.0
362.19232177734375	20524.0
362.3326721191406	104.0
362.3890686035156	184.0
362.6933898925781	10476.0
362.8009948730469	100.0
362.89959716796875	144.0
363.0373840332031	104.0
363.10345458984375	108.0
363.19549560546875	2448.0
363.69134521484375	516.0
364.11370849609375	180.0
364.1463928222656	232.0
364.1960144042969	160.0
364.6856994628906	160.0
365.1246337890625	320.0
365.18939208984375	492.0
365.36895751953125	216.0
365.5078430175781	164.0
365.6776428222656	236.0
366.1538391113281	192.0
366.1921081542969	316.0
366.5203552246094	100.0
366.6055603027344	160.0
366.6804504394531	160.0
366.9267578125	148.0
367.113525390625	356.0
367.1819763183594	4276.0
367.2994384765625	156.0
367.5550537109375	184.0
367.6864318847656	2188.0
368.0036926269531	96.0
368.13916015625	412.0
368.18243408203125	752.0
368.6777038574219	456.0
369.1229248046875	228.0
369.1594543457031	276.0
369.1957092285156	672.0
369.7078857421875	164.0
370.1307067871094	276.0
370.146484375	236.0
370.1590576171875	332.0
370.6763000488281	108.0
371.13623046875	388.0
371.1740417480469	352.0
372.17352294921875	132.0
372.751220703125	156.0
373.1692199707031	416.0
373.6884765625	148.0
373.97802734375	208.0
374.1425476074219	108.0
374.19207763671875	1424.0
374.35089111328125	164.0
374.40997314453125	164.0
374.601806640625	180.0
374.6954650878906	984.0
374.8021545410156	144.0
375.1791687011719	448.0
375.6939697265625	124.0
376.1437072753906	304.0
376.1968994140625	376.0
376.70050048828125	160.0
377.15142822265625	212.0
377.1912536621094	612.0
377.71484375	200.0
378.061279296875	216.0
378.15380859375	392.0
378.1866455078125	408.0
378.2276916503906	148.0
378.9088134765625	96.0
379.07080078125	168.0
379.1646728515625	448.0
379.32391357421875	152.0
380.16082763671875	264.0
380.2106018066406	164.0
381.1130065917969	196.0
381.14398193359375	268.0
381.1829528808594	428.0
381.2102966308594	224.0
381.5444030761719	188.0
381.6874694824219	192.0
381.8709411621094	176.0
382.1939392089844	344.0
382.5680236816406	168.0
382.6181640625	156.0
382.70184326171875	244.0
382.84222412109375	220.0
383.0968017578125	176.0
383.1398010253906	296.0
383.1979675292969	33428.0
383.3026428222656	188.0
383.32891845703125	172.0
383.45440673828125	204.0
383.5433349609375	176.0
383.5920715332031	180.0
383.69854736328125	15828.0
383.8582763671875	100.0
383.90509033203125	116.0
383.954345703125	196.0
384.0277404785156	212.0
384.1449279785156	196.0
384.19927978515625	4720.0
384.2884521484375	168.0
384.499267578125	136.0
384.6039733886719	124.0
384.70001220703125	664.0
384.91986083984375	96.0
385.0466003417969	168.0
385.1543273925781	720.0
385.2063903808594	480.0
385.29351806640625	144.0
385.69793701171875	140.0
385.9753112792969	132.0
386.1568908691406	264.0
386.2222595214844	116.0
386.43780517578125	232.0
386.66448974609375	124.0
386.7362976074219	104.0
386.7855224609375	156.0
386.8511047363281	96.0
387.1348571777344	280.0
387.1754150390625	344.0
388.1326904296875	276.0
388.183349609375	148.0
388.4830322265625	152.0
389.11590576171875	160.0
389.154296875	284.0
389.246337890625	144.0
389.48504638671875	160.0
390.1697998046875	236.0
390.2851257324219	164.0
390.5715637207031	164.0
390.6422424316406	168.0
390.7655029296875	144.0
390.94366455078125	184.0
391.1641540527344	232.0
391.4252624511719	104.0
391.4788513183594	148.0
391.5636291503906	124.0
391.6208190917969	192.0
391.7031555175781	168.0
391.9156799316406	220.0
392.1014709472656	252.0
392.1407775878906	168.0
392.20361328125	22392.0
392.34112548828125	200.0
392.4956970214844	192.0
392.55535888671875	216.0
392.70367431640625	11828.0
392.8203125	176.0
393.2026672363281	3040.0
393.2672119140625	188.0
393.4012451171875	156.0
393.45770263671875	168.0
393.6092529296875	128.0
393.7059631347656	208.0
393.8489074707031	188.0
393.9459533691406	164.0
394.189208984375	624.0
394.2896423339844	100.0
394.792724609375	136.0
394.8801574707031	252.0
395.193603515625	432.0
395.2497863769531	184.0
395.33441162109375	152.0
395.376708984375	176.0
395.446044921875	100.0
395.5372619628906	176.0
395.63629150390625	256.0
395.83270263671875	108.0
396.0168151855469	180.0
396.2073669433594	352.0
396.2691650390625	104.0
396.3505859375	128.0
396.5677185058594	188.0
396.6428527832031	140.0
396.84503173828125	180.0
397.14837646484375	384.0
397.1803283691406	304.0
397.6463317871094	160.0
397.6853942871094	172.0
397.7939147949219	112.0
397.9366149902344	252.0
398.1902770996094	496.0
398.26654052734375	112.0
398.30072021484375	172.0
398.34912109375	152.0
398.376953125	180.0
398.6277160644531	168.0
398.6868591308594	200.0
398.88873291015625	288.0
399.1644287109375	464.0
399.434326171875	196.0
399.5385437011719	100.0
399.8481140136719	152.0
399.9589538574219	132.0
400.1587219238281	384.0
400.5727844238281	180.0
400.6946105957031	156.0
400.9331359863281	180.0
401.1543884277344	184.0
401.2021179199219	408.0
401.2304992675781	240.0
401.4782409667969	128.0
401.90435791015625	204.0
402.0654602050781	140.0
402.1258850097656	240.0
402.1423645019531	124.0
402.1512756347656	224.0
402.19732666015625	240.0
402.2795104980469	204.0
402.56134033203125	224.0
403.1706237792969	376.0
403.2198181152344	248.0
403.6446228027344	128.0
403.721435546875	200.0
403.8230895996094	128.0
403.8863220214844	172.0
404.2024230957031	8248.0
404.3611145019531	152.0
404.4580383300781	160.0
404.7038879394531	5132.0
404.91748046875	112.0
405.20318603515625	1176.0
405.7058410644531	284.0
405.8358459472656	228.0
406.0699462890625	132.0
406.1419677734375	212.0
406.17926025390625	256.0
406.4356994628906	224.0
406.64691162109375	180.0
406.78167724609375	204.0
406.8500061035156	124.0
406.9481506347656	128.0
407.1605224609375	860.0
407.1942443847656	804.0
407.268798828125	148.0
407.4451599121094	108.0
407.68780517578125	104.0
407.7777404785156	208.0
407.8302917480469	96.0
407.9665832519531	128.0
408.08203125	152.0
408.126708984375	256.0
408.1750183105469	312.0
408.20330810546875	576.0
408.383056640625	252.0
408.5345458984375	216.0
408.5821838378906	164.0
408.7672119140625	100.0
408.9159240722656	128.0
409.057373046875	292.0
409.17254638671875	800.0
409.2246398925781	488.0
409.345458984375	116.0
409.51788330078125	112.0
409.59771728515625	220.0
409.71783447265625	156.0
409.8139343261719	216.0
409.86199951171875	160.0
409.9870910644531	112.0
410.068359375	168.0
410.168701171875	408.0
410.2139892578125	340.0
410.3296813964844	176.0
410.37255859375	276.0
410.43780517578125	160.0
410.486572265625	128.0
410.5823059082031	184.0
410.6166687011719	176.0
410.68865966796875	176.0
410.7572021484375	196.0
410.82965087890625	176.0
410.88348388671875	188.0
410.8948669433594	164.0
410.9632263183594	408.0
411.070556640625	100.0
411.1207580566406	252.0
411.1904296875	520.0
411.3277893066406	172.0
411.3635559082031	340.0
411.39459228515625	212.0
411.42572021484375	148.0
411.52880859375	276.0
411.5767517089844	164.0
411.6146545410156	164.0
411.6581115722656	196.0
411.7159729003906	492.0
411.77239990234375	176.0
411.8295593261719	224.0
411.87646484375	400.0
411.9287109375	364.0
411.995849609375	240.0
412.06219482421875	332.0
412.103759765625	408.0
412.1449890136719	344.0
412.20330810546875	2704.0
412.26593017578125	284.0
412.31024169921875	380.0
412.36700439453125	156.0
412.4202575683594	456.0
412.4674072265625	288.0
412.5307922363281	476.0
412.5732421875	520.0
412.6179504394531	320.0
412.701904296875	1580.0
412.7530822753906	508.0
412.7928466796875	552.0
412.85345458984375	284.0
412.8816833496094	480.0
412.9174499511719	580.0
412.9668273925781	544.0
413.00225830078125	636.0
413.0610656738281	584.0
413.1358337402344	1248.0
413.210693359375	232520.0
413.3411865234375	228.0
413.48089599609375	404.0
413.48944091796875	644.0
413.53253173828125	408.0
413.58990478515625	1556.0
413.6221008300781	852.0
413.6518249511719	1104.0
413.71185302734375	196472.0
413.8298034667969	116.0
413.88836669921875	3036.0
413.939697265625	404.0
413.9804992675781	464.0
414.0856628417969	392.0
414.1227722167969	372.0
414.21209716796875	99476.0
414.32708740234375	160.0
414.3803405761719	828.0
414.4573669433594	512.0
414.5094299316406	416.0
414.585205078125	712.0
414.6609191894531	416.0
414.71221923828125	23660.0
414.83660888671875	308.0
414.8882751464844	284.0
414.91082763671875	228.0
414.9215087890625	352.0
414.96435546875	288.0
415.0005187988281	368.0
415.0639953613281	220.0
415.0936279296875	348.0
415.1438903808594	464.0
415.21240234375	4852.0
415.3026123046875	124.0
415.38525390625	132.0
415.4365234375	284.0
415.4813232421875	244.0
415.56640625	284.0
415.7160339355469	316.0
415.777099609375	188.0
415.8311767578125	244.0
415.8671875	312.0
415.95379638671875	224.0
416.0497741699219	248.0
416.0919494628906	128.0
416.162841796875	216.0
416.24066162109375	304.0
416.3031311035156	228.0
416.3120422363281	248.0
416.3583984375	132.0
416.4187316894531	212.0
416.513916015625	272.0
416.5506286621094	480.0
416.591064453125	260.0
416.6518249511719	360.0
416.7593994140625	416.0
416.81024169921875	340.0
416.85931396484375	196.0
416.87188720703125	364.0
416.9139709472656	436.0
416.94915771484375	288.0
416.9638671875	212.0
417.0240478515625	512.0
417.1192321777344	240.0
417.1479797363281	344.0
417.1803283691406	976.0
417.27117919921875	236.0
417.36474609375	280.0
417.4259948730469	276.0
417.495849609375	200.0
417.5278625488281	304.0
417.59088134765625	176.0
417.64190673828125	152.0
417.7486267089844	180.0
417.8197021484375	124.0
417.9720458984375	124.0
418.0406188964844	128.0
418.0956115722656	104.0
418.13671875	348.0
418.1849365234375	408.0
418.2608642578125	216.0
418.30487060546875	108.0
418.362060546875	124.0
418.4813537597656	136.0
418.62078857421875	132.0
418.68603515625	164.0
418.7912902832031	184.0
418.8540344238281	112.0
419.0464782714844	196.0
419.0917663574219	116.0
419.14385986328125	144.0
419.2027587890625	172.0
419.3935546875	132.0
419.58563232421875	144.0
419.7787780761719	100.0
419.86767578125	152.0
420.1174621582031	156.0
420.1707458496094	132.0
420.21075439453125	236.0
420.43817138671875	100.0
420.51318359375	220.0
420.5456237792969	140.0
420.6405334472656	260.0
420.7135009765625	204.0
420.9610290527344	188.0
421.0615234375	156.0
421.10784912109375	132.0
421.206298828125	2068.0
421.6285095214844	116.0
421.7101745605469	864.0
422.0223083496094	100.0
422.0912170410156	172.0
422.1842041015625	756.0
422.9186096191406	132.0
423.03076171875	108.0
423.11273193359375	116.0
423.19744873046875	676.0
423.5834045410156	120.0
423.8281555175781	116.0
423.93450927734375	96.0
424.0966796875	120.0
424.15142822265625	108.0
424.2022399902344	268.0
424.7012023925781	152.0
425.057861328125	104.0
425.111083984375	132.0
425.1370544433594	160.0
425.20361328125	808.0
425.43023681640625	120.0
425.9111328125	96.0
426.10662841796875	152.0
426.1722717285156	156.0
426.2200012207031	284.0
426.7564392089844	108.0
427.16680908203125	624.0
427.2353820800781	156.0
427.6385498046875	208.0
427.7204895019531	204.0
428.0797424316406	136.0
428.1579895019531	352.0
428.207275390625	200.0
428.48870849609375	172.0
428.9021301269531	100.0
429.04095458984375	216.0
429.1081237792969	96.0
429.20196533203125	204.0
429.6623840332031	132.0
429.9708251953125	120.0
430.0253601074219	144.0
430.1537780761719	248.0
430.2089538574219	144.0
430.24383544921875	192.0
430.5821533203125	108.0
430.6756286621094	100.0
430.7528381347656	96.0
431.04315185546875	124.0
431.1760559082031	152.0
431.2046813964844	224.0
431.6188659667969	136.0
432.0404052734375	144.0
432.17840576171875	240.0
432.2708435058594	156.0
432.7648620605469	176.0
433.15997314453125	172.0
433.2160949707031	356.0
433.65777587890625	104.0
433.7220764160156	516.0
433.7779541015625	96.0
434.0086669921875	104.0
434.18634033203125	336.0
434.2268981933594	504.0
434.6517333984375	120.0
434.70941162109375	128.0
435.1885070800781	2880.0
435.58013916015625	120.0
436.19415283203125	1220.0
436.24395751953125	376.0
436.6611022949219	132.0
437.04656982421875	192.0
437.14447021484375	132.0
437.2082214355469	336.0
437.9486999511719	160.0
438.1418151855469	140.0
438.1876525878906	236.0
438.26617431640625	204.0
438.31903076171875	188.0
439.1454772949219	144.0
439.1824035644531	128.0
439.238525390625	232.0
439.74896240234375	116.0
440.18914794921875	444.0
441.1976318359375	360.0
441.2481689453125	176.0
441.6148376464844	196.0
442.1968078613281	448.0
443.1570129394531	292.0
443.6247253417969	184.0
444.17596435546875	428.0
445.1267395019531	216.0
445.1761474609375	416.0
446.1031494140625	160.0
446.2131042480469	484.0
447.1457214355469	356.0
447.2019348144531	152.0
448.1582336425781	256.0
448.2040100097656	376.0
449.1627197265625	248.0
449.20831298828125	352.0
450.1792297363281	496.0
450.2125549316406	436.0
450.25830078125	328.0
451.1927185058594	300.0
451.2289123535156	168.0
451.37158203125	192.0
452.2147521972656	160.0
452.3869934082031	164.0
453.1581726074219	132.0
453.20159912109375	1204.0
453.3569030761719	148.0
453.6398010253906	116.0
454.20684814453125	284.0
455.2138977050781	420.0
456.2014465332031	256.0
456.2522277832031	368.0
457.18292236328125	144.0
457.1972351074219	312.0
458.1623229980469	200.0
458.21722412109375	256.0
459.1920166015625	304.0
459.2543640136719	136.0
460.1455993652344	160.0
460.1996154785156	452.0
461.2109375	480.0
461.8677673339844	192.0
462.2203674316406	412.0
462.3281555175781	144.0
463.2108459472656	316.0
464.2290344238281	264.0
465.18988037109375	116.0
465.23797607421875	120.0
465.6761779785156	148.0
466.1642150878906	144.0
466.21490478515625	304.0
466.7439270019531	168.0
467.17889404296875	228.0
467.21624755859375	404.0
468.1396484375	168.0
468.1846618652344	168.0
469.0797424316406	108.0
469.1247863769531	176.0
469.1982116699219	104.0
469.2357177734375	120.0
470.1944580078125	212.0
470.2557067871094	156.0
470.36578369140625	104.0
471.1876220703125	116.0
472.21148681640625	540.0
472.48773193359375	116.0
473.2112121582031	384.0
473.2367248535156	192.0
474.21710205078125	1672.0
474.31890869140625	164.0
475.1437072753906	132.0
475.2225646972656	708.0
475.72503662109375	140.0
476.207275390625	592.0
476.240966796875	788.0
477.0945739746094	180.0
477.2052001953125	540.0
477.2360534667969	588.0
477.96441650390625	144.0
478.2067565917969	512.0
478.24896240234375	1308.0
479.1860656738281	200.0
479.2176818847656	336.0
480.2065734863281	156.0
481.2347717285156	332.0
482.1586608886719	104.0
482.222412109375	128.0
483.2145080566406	288.0
484.20550537109375	248.0
484.2392578125	120.0
484.6143493652344	196.0
485.21240234375	160.0
485.4559326171875	180.0
486.2051086425781	184.0
486.2198486328125	136.0
486.3641052246094	144.0
487.2159729003906	388.0
488.2380676269531	296.0
489.2225646972656	272.0
489.7629699707031	156.0
490.208251953125	612.0
491.1741943359375	96.0
491.22802734375	712.0
492.2253112792969	1120.0
493.2247009277344	388.0
493.62017822265625	140.0
494.23828125	252.0
495.210205078125	1284.0
496.0412292480469	124.0
496.215576171875	512.0
497.2220458984375	536.0
498.2065734863281	224.0
498.25775146484375	124.0
499.202392578125	136.0
499.267578125	104.0
500.1943359375	160.0
500.2887268066406	156.0
501.1824645996094	124.0
501.2228698730469	108.0
502.1990661621094	328.0
502.26751708984375	220.0
503.2222900390625	280.0
503.2674255371094	96.0
504.2282409667969	588.0
504.2839050292969	108.0
504.983154296875	156.0
505.2356262207031	1352.0
505.3565673828125	224.0
506.044921875	96.0
506.241943359375	1360.0
506.6704406738281	180.0
506.817138671875	100.0
506.9268493652344	140.0
507.24822998046875	804.0
507.5243225097656	100.0
507.66546630859375	148.0
508.21417236328125	348.0
508.2463684082031	524.0
508.3966979980469	144.0
509.2572937011719	128.0
509.3155822753906	156.0
510.2442626953125	468.0
510.3282165527344	144.0
511.2101135253906	232.0
511.24786376953125	408.0
511.3055419921875	136.0
512.2033081054688	124.0
512.2536010742188	172.0
512.3264770507812	168.0
513.220947265625	356.0
513.6111450195312	168.0
514.2254028320312	132.0
514.263671875	496.0
515.2138061523438	248.0
515.2554931640625	392.0
515.3447265625	140.0
516.1085815429688	196.0
516.227783203125	300.0
516.2709350585938	364.0
517.2483520507812	152.0
517.2874755859375	360.0
518.2047729492188	840.0
518.2819213867188	236.0
518.3582153320312	148.0
519.2152709960938	328.0
519.3147583007812	236.0
520.217529296875	360.0
520.2469482421875	580.0
520.9715576171875	140.0
521.2206420898438	340.0
521.2603149414062	160.0
521.853271484375	168.0
522.2411499023438	672.0
523.2406005859375	716.0
524.2515869140625	568.0
524.3634033203125	104.0
524.7033081054688	140.0
525.1929321289062	176.0
525.2484130859375	400.0
526.2076416015625	132.0
526.2666015625	744.0
527.27099609375	284.0
528.287109375	932.0
529.2217407226562	268.0
529.2582397460938	192.0
529.2852783203125	512.0
530.2078247070312	124.0
530.2603149414062	220.0
530.67431640625	144.0
531.0474853515625	180.0
531.210693359375	148.0
531.2625732421875	264.0
531.3118286132812	148.0
531.9175415039062	156.0
532.0846557617188	100.0
532.2236938476562	684.0
532.8151245117188	120.0
533.2177124023438	456.0
534.0036010742188	164.0
534.2386474609375	3696.0
534.731689453125	108.0
535.2435302734375	1040.0
535.4742431640625	96.0
536.2434692382812	1132.0
536.3214111328125	336.0
537.2174682617188	152.0
537.2589721679688	300.0
537.3094482421875	192.0
537.3642578125	124.0
538.2611083984375	524.0
539.24658203125	464.0
539.4445190429688	160.0
540.1914672851562	164.0
540.2835693359375	396.0
541.252685546875	172.0
542.2693481445312	244.0
543.2164916992188	144.0
543.2756958007812	456.0
543.9960327148438	160.0
544.2274169921875	604.0
544.2791748046875	2576.0
544.3472290039062	104.0
545.2285766601562	244.0
545.2799682617188	1392.0
545.3497924804688	212.0
545.5775756835938	168.0
546.231201171875	140.0
546.2724609375	360.0
546.306640625	484.0
547.2085571289062	112.0
547.2538452148438	340.0
548.2100219726562	152.0
548.2595825195312	728.0
548.3118286132812	156.0
549.02783203125	156.0
549.2507934570312	164.0
550.23291015625	988.0
550.5585327148438	140.0
551.228515625	416.0
551.2623291015625	440.0
551.872802734375	152.0
552.249267578125	2696.0
552.6085815429688	132.0
553.2543334960938	476.0
553.3712768554688	104.0
554.1912231445312	116.0
554.2449951171875	284.0
554.3515014648438	124.0
555.2865600585938	572.0
556.2780151367188	944.0
557.2830810546875	252.0
558.275390625	220.0
558.2890014648438	216.0
559.3073120117188	196.0
560.2031860351562	116.0
560.2742309570312	160.0
560.3338012695312	144.0
561.1161499023438	156.0
561.242919921875	340.0
561.447509765625	136.0
561.993408203125	140.0
562.2301025390625	388.0
562.2885131835938	104.0
563.2464599609375	112.0
564.2532958984375	1328.0
564.465087890625	148.0
565.2596435546875	716.0
566.2649536132812	520.0
567.2303466796875	224.0
567.2648315429688	232.0
567.6221923828125	148.0
568.2510986328125	256.0
569.2562866210938	272.0
569.7864990234375	100.0
570.1428833007812	148.0
570.2921752929688	388.0
571.2899780273438	692.0
572.2399291992188	148.0
572.289794921875	356.0
573.285888671875	296.0
574.0369262695312	164.0
574.1336669921875	168.0
574.232177734375	184.0
574.2938842773438	284.0
575.1643676757812	104.0
575.2650146484375	664.0
575.8265380859375	160.0
576.25927734375	544.0
576.3135375976562	216.0
576.8563842773438	96.0
577.258544921875	248.0
577.3148193359375	272.0
577.432373046875	152.0
578.2360229492188	340.0
578.31005859375	116.0
579.2440185546875	376.0
579.864501953125	140.0
580.247314453125	432.0
581.2509155273438	584.0
582.27001953125	524.0
582.3287353515625	128.0
583.2923583984375	552.0
584.2166748046875	140.0
584.2836303710938	928.0
584.98193359375	96.0
585.2793579101562	332.0
586.2823486328125	304.0
587.2813720703125	220.0
588.271484375	296.0
589.2513427734375	164.0
589.3182983398438	112.0
590.2654418945312	224.0
590.3012084960938	156.0
591.2304077148438	272.0
591.295654296875	212.0
592.2366943359375	496.0
592.302734375	392.0
593.247314453125	276.0
593.2899780273438	248.0
594.2612915039062	944.0
594.3899536132812	212.0
595.26171875	568.0
595.3120727539062	492.0
596.2391967773438	320.0
597.2674560546875	172.0
597.5140991210938	140.0
597.6124267578125	152.0
598.2913818359375	620.0
598.4179077148438	128.0
599.2413330078125	172.0
599.2968139648438	420.0
600.296875	288.0
601.25390625	188.0
601.3034057617188	104.0
602.2879028320312	380.0
603.2855834960938	156.0
604.2888793945312	156.0
605.304931640625	132.0
606.2742309570312	212.0
607.0288696289062	168.0
607.3134155273438	148.0
608.2733154296875	472.0
609.22216796875	132.0
609.2900390625	128.0
610.2525024414062	360.0
610.3328247070312	148.0
611.2698974609375	280.0
612.2083129882812	196.0
612.27099609375	440.0
613.2713012695312	204.0
613.3365478515625	152.0
616.2645263671875	152.0
616.3143310546875	184.0
618.3320922851562	160.0
620.3058471679688	192.0
621.3129272460938	144.0
621.3674926757812	156.0
622.3042602539062	116.0
623.3314208984375	124.0
623.362548828125	460.0
624.2569580078125	292.0
624.3577270507812	148.0
625.2700805664062	136.0
625.336181640625	120.0
626.2894897460938	312.0
627.348388671875	156.0
628.2676391601562	108.0
630.2990112304688	96.0
630.4486083984375	104.0
631.3223876953125	232.0
632.304443359375	116.0
633.3062744140625	112.0
633.3489990234375	236.0
634.2549438476562	96.0
634.3244018554688	264.0
636.3143920898438	192.0
636.5477905273438	128.0
637.3499145507812	156.0
638.3168334960938	112.0
639.26025390625	156.0
639.3211059570312	228.0
640.2965698242188	136.0
641.3095092773438	148.0
642.3240966796875	128.0
643.28271484375	160.0
643.3343505859375	136.0
643.676513671875	144.0
644.2991943359375	884.0
645.3002319335938	476.0
645.3333740234375	504.0
646.3465576171875	240.0
648.336669921875	156.0
649.3798828125	260.0
650.3229370117188	124.0
651.2939453125	148.0
651.3654174804688	276.0
652.3679809570312	116.0
652.4468994140625	148.0
653.2908325195312	156.0
653.3662109375	156.0
653.8151245117188	276.0
655.2946166992188	176.0
656.2839965820312	108.0
658.3399047851562	220.0
659.3516235351562	112.0
660.2789916992188	168.0
660.3147583007812	212.0
661.3367919921875	216.0
662.2340698242188	164.0
662.2803344726562	116.0
662.896728515625	96.0
663.293701171875	148.0
663.3475341796875	260.0
664.3252563476562	156.0
665.3029174804688	116.0
666.5125122070312	144.0
667.3302001953125	140.0
668.3334350585938	112.0
669.3724975585938	140.0
670.2636108398438	104.0
673.3361206054688	308.0
675.5607299804688	220.0
677.3643798828125	112.0
680.3802490234375	160.0
683.2125854492188	152.0
686.305419921875	500.0
686.3599853515625	220.0
687.3040161132812	136.0
687.36474609375	228.0
691.3392944335938	144.0
692.3182373046875	272.0
694.3361206054688	112.0
698.3351440429688	140.0
702.3458862304688	128.0
703.7661743164062	100.0
705.3662719726562	916.0
706.3657836914062	776.0
707.3778076171875	260.0
708.371337890625	160.0
710.3426513671875	140.0
715.3460083007812	136.0
720.3275146484375	160.0
722.2100830078125	140.0
723.2095336914062	144.0
723.3784790039062	4320.0
724.3749389648438	2896.0
725.3900146484375	812.0
725.5933227539062	140.0
726.3878784179688	324.0
728.18896484375	128.0
730.9052734375	164.0
733.3738403320312	112.0
734.3130493164062	108.0
735.311279296875	124.0
736.2581787109375	140.0
744.9351196289062	144.0
748.370849609375	144.0
751.3452758789062	120.0
765.38037109375	784.0
766.3920288085938	348.0
767.3768920898438	300.0
781.3859252929688	184.0
783.399169921875	384.0
784.4087524414062	336.0
785.4028930664062	320.0
788.5625610351562	152.0
794.6270751953125	180.0
801.0978393554688	236.0
831.1404418945312	140.0
911.7610473632812	124.0
951.0011596679688	144.0
956.3053588867188	148.0
959.9503784179688	120.0
980.1793212890625	148.0
980.5906372070312	148.0
983.4971313476562	164.0
1106.194091796875	176.0
1180.768798828125	164.0
1190.706298828125	160.0
1195.0438232421875	216.0
1231.6409912109375	244.0
1236.54931640625	220.0
1236.8642578125	144.0
1263.2239990234375	140.0
1289.375732421875	196.0
1394.9737548828125	156.0
1421.577880859375	164.0
1433.50439453125	168.0
1451.214599609375	192.0
1455.2813720703125	172.0
1462.60986328125	176.0
1478.156005859375	224.0
1481.1724853515625	208.0
1501.980224609375	188.0
1503.1451416015625	180.0
1511.79052734375	196.0
1513.7275390625	164.0
1524.147705078125	164.0
1524.7044677734375	164.0
1528.8885498046875	180.0
1544.166015625	124.0
1592.423583984375	168.0
1637.8150634765625	164.0
1651.249267578125	128.0
1655.413330078125	156.0
1664.6658935546875	144.0
1678.2138671875	164.0
1679.9591064453125	236.0
1686.42626953125	184.0
1706.600830078125	164.0
1711.644775390625	140.0
1732.4661865234375	152.0
1803.8424072265625	176.0
1807.5018310546875	156.0
1832.280029296875	148.0
1834.0269775390625	172.0
1847.1595458984375	176.0
1889.6494140625	148.0
1889.86572265625	160.0
1894.8699951171875	224.0
1897.9468994140625	160.0
1899.542724609375	148.0
1904.7811279296875	152.0
1911.6280517578125	156.0
1931.7999267578125	216.0
1939.4443359375	220.0
1941.995849609375	140.0
1945.9534912109375	164.0
1947.4287109375	144.0
1957.4896240234375	184.0
1972.9830322265625	160.0
1987.0401611328125	148.0
1989.771484375	216.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079222
PEPMASS=825.416626
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=41.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=VINCRISTINE SULFATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC[C@]1(O)C[C@@H]2CN(C1)CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@@H]7[C@@]86CCN9CC=C[C@](CC)([C@H]98)[C@@H](OC(=O)C)[C@]7(O)C(=O)OC
INCHI=InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
INCHIAUX=OGWKCGZFUXNPDA-CFWMRBGOSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079222
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079222
SCANS=1079
77.22134399414062	176.0
109.09575653076172	168.0
116.9144515991211	144.0
122.10153198242188	200.0
124.11170196533203	232.0
134.1023406982422	196.0
138.13392639160156	204.0
140.10760498046875	148.0
142.1172332763672	148.0
144.0774383544922	284.0
147.6945343017578	204.0
152.10784912109375	148.0
154.0602264404297	160.0
156.0851287841797	188.0
156.13351440429688	152.0
164.1052703857422	184.0
165.5284881591797	140.0
168.0743865966797	128.0
178.1222381591797	152.0
186.09878540039062	140.0
192.0703125	148.0
194.133544921875	212.0
222.10684204101562	188.0
223.65492248535156	180.0
224.1290740966797	500.0
225.1371307373047	564.0
226.14707946777344	200.0
228.09385681152344	148.0
254.10556030273438	160.0
264.17657470703125	204.0
265.1729736328125	264.0
265.2144775390625	140.0
266.1715087890625	176.0
278.1753234863281	156.0
293.1712646484375	160.0
295.1850280761719	140.0
305.1636047363281	176.0
312.5156555175781	180.0
336.1834411621094	184.0
337.1893310546875	276.0
353.1459045410156	176.0
355.2020263671875	148.0
356.236572265625	208.0
367.1392517089844	144.0
368.2040100097656	140.0
370.192626953125	152.0
383.186767578125	168.0
393.7110900878906	220.0
394.1811828613281	168.0
395.9178161621094	184.0
400.2198486328125	168.0
412.2201232910156	148.0
413.2190246582031	164.0
425.1598815917969	140.0
425.19091796875	168.0
428.1591796875	184.0
435.1991271972656	104.0
437.19781494140625	156.0
442.2256774902344	192.0
453.1973876953125	188.0
454.23455810546875	184.0
455.215087890625	128.0
465.2831115722656	196.0
466.219482421875	144.0
467.2106628417969	168.0
492.2679748535156	176.0
494.58905029296875	140.0
501.2685852050781	216.0
507.25299072265625	152.0
511.2008361816406	168.0
529.3070678710938	344.0
531.2429809570312	140.0
532.2481079101562	152.0
540.2756958007812	120.0
541.2916870117188	112.0
542.2865600585938	160.0
548.7620239257812	148.0
550.7313232421875	172.0
552.2969360351562	112.0
554.2727661132812	140.0
556.2847290039062	116.0
557.2777099609375	164.0
562.2293701171875	148.0
564.2722778320312	128.0
566.2739868164062	244.0
571.3125610351562	176.0
572.31201171875	172.0
576.29931640625	164.0
584.2858276367188	148.0
587.2928466796875	148.0
588.2965087890625	148.0
589.3687133789062	168.0
590.281982421875	144.0
596.2483520507812	104.0
598.9842529296875	192.0
599.2926025390625	352.0
600.281982421875	144.0
602.2863159179688	116.0
604.3079833984375	232.0
606.3327026367188	196.0
612.2945556640625	172.0
616.2942504882812	160.0
623.3017578125	108.0
627.322021484375	144.0
628.3526000976562	152.0
636.3131713867188	124.0
637.3800659179688	144.0
639.401611328125	144.0
646.34033203125	232.0
648.3211059570312	128.0
649.3861694335938	164.0
650.313232421875	112.0
654.2777099609375	160.0
655.3375244140625	116.0
659.3689575195312	236.0
661.3278198242188	168.0
663.3522338867188	120.0
664.308349609375	252.0
664.343017578125	148.0
665.3264770507812	112.0
665.349609375	96.0
670.134765625	180.0
674.3278198242188	100.0
676.3104858398438	140.0
677.3047485351562	140.0
678.3090209960938	144.0
678.3428955078125	388.0
679.3379516601562	104.0
682.0113525390625	148.0
683.3322143554688	144.0
687.3416137695312	148.0
687.4329223632812	172.0
688.3605346679688	108.0
691.3469848632812	172.0
694.32958984375	112.0
695.3184204101562	100.0
696.3505249023438	216.0
697.3519287109375	220.0
701.3257446289062	140.0
705.3662719726562	1164.0
706.1409912109375	180.0
706.3700561523438	448.0
707.3655395507812	188.0
715.3342895507812	132.0
716.3739013671875	136.0
717.3513793945312	100.0
719.3949584960938	172.0
723.3804931640625	768.0
724.3710327148438	164.0
725.378662109375	292.0
733.364013671875	448.0
734.3692016601562	252.0
736.328369140625	148.0
737.3939208984375	120.0
747.3756713867188	248.0
748.3737182617188	408.0
749.3790283203125	236.0
765.3833618164062	1912.0
765.5332641601562	196.0
766.388427734375	708.0
767.3904418945312	340.0
768.3921508789062	140.0
775.365478515625	236.0
776.3729858398438	100.0
777.6627807617188	140.0
778.37646484375	136.0
781.5527954101562	192.0
783.3937377929688	568.0
785.3610229492188	128.0
789.1886596679688	152.0
793.3699340820312	148.0
800.8600463867188	204.0
806.7636108398438	156.0
807.395751953125	1676.0
807.5665283203125	160.0
808.4002685546875	1000.0
809.4014282226562	216.0
810.3063354492188	192.0
812.0806274414062	140.0
813.3402099609375	140.0
822.3821411132812	164.0
823.3892822265625	1036.0
824.3980712890625	420.0
825.1483154296875	100.0
825.201171875	144.0
825.2980346679688	204.0
825.4077758789062	11124.0
825.5471801757812	164.0
825.6848754882812	136.0
826.4135131835938	5484.0
826.5401000976562	164.0
826.6275634765625	140.0
827.0328979492188	156.0
827.2936401367188	124.0
827.411376953125	1908.0
828.0677490234375	156.0
828.136474609375	164.0
828.3369750976562	156.0
828.42041015625	376.0
829.3740844726562	148.0
829.4187622070312	244.0
829.9443359375	160.0
830.3789672851562	324.0
831.36572265625	136.0
833.1901245117188	292.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079223
PEPMASS=294.150452
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=21.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Irinotecan hydrochloride [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15
INCHI=InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1
INCHIAUX=UWKQSNNFCGGAFS-XIFFEERXSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079223
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079223
SCANS=1054
46.12141799926758	152.0
70.1450424194336	140.0
70.46879577636719	176.0
98.09933471679688	148.0
110.06001281738281	636.0
111.0625	304.0
115.25863647460938	212.0
116.4561767578125	164.0
122.54772186279297	196.0
124.1100845336914	144.0
135.05320739746094	156.0
138.06044006347656	388.0
139.92115783691406	148.0
142.07412719726562	156.0
144.56163024902344	180.0
148.06198120117188	160.0
150.06671142578125	164.0
156.56993103027344	216.0
157.06591796875	208.0
158.6362762451172	144.0
159.06271362304688	160.0
162.05116271972656	212.0
163.07635498046875	180.0
165.0623016357422	252.0
166.06875610351562	184.0
166.58981323242188	144.0
167.11788940429688	1212.0
167.26097106933594	232.0
167.56741333007812	260.0
168.08050537109375	200.0
169.07281494140625	144.0
169.11422729492188	140.0
173.0345916748047	144.0
174.55776977539062	232.0
175.567626953125	356.0
176.07168579101562	184.0
176.17652893066406	156.0
179.5830078125	336.0
180.0803985595703	284.0
181.08071899414062	140.0
181.85723876953125	144.0
182.082763671875	192.0
182.5503692626953	172.0
186.0710906982422	156.0
186.58700561523438	548.0
187.09510803222656	136.0
187.20765686035156	172.0
187.59237670898438	296.0
190.28927612304688	288.0
194.08755493164062	564.0
194.59359741210938	224.0
195.08802795410156	312.0
195.1472625732422	312.0
198.54762268066406	200.0
199.59506225585938	208.0
200.08078002929688	384.0
200.58827209472656	624.0
201.0542449951172	172.0
201.08953857421875	584.0
201.59445190429688	460.0
202.08847045898438	140.0
202.1139373779297	184.0
202.58726501464844	172.0
203.07862854003906	232.0
204.09661865234375	220.0
206.6035919189453	212.0
207.07302856445312	184.0
207.47418212890625	208.0
208.10365295410156	216.0
208.60662841796875	172.0
209.0855712890625	152.0
209.58087158203125	148.0
210.2383270263672	168.0
211.10496520996094	140.0
211.26693725585938	172.0
212.09364318847656	196.0
214.08236694335938	180.0
214.58493041992188	368.0
215.09580993652344	368.0
215.18162536621094	148.0
215.58944702148438	832.0
215.6168670654297	380.0
216.0968475341797	260.0
216.57945251464844	188.0
217.58233642578125	160.0
218.10227966308594	212.0
220.587158203125	164.0
221.11956787109375	168.0
222.09136962890625	216.0
222.12252807617188	876.0
222.59674072265625	340.0
222.6287078857422	152.0
223.10122680664062	820.0
223.12710571289062	192.0
223.60479736328125	460.0
224.57691955566406	124.0
224.60775756835938	216.0
228.1236114501953	132.0
228.5998077392578	196.0
228.62855529785156	464.0
229.097900390625	136.0
229.13253784179688	784.0
229.60670471191406	2164.0
229.63632202148438	1140.0
230.1088104248047	568.0
230.13790893554688	712.0
230.6165008544922	212.0
231.1121826171875	140.0
232.13214111328125	176.0
234.0806121826172	156.0
235.12319946289062	188.0
235.6117401123047	144.0
236.1053924560547	200.0
236.578125	140.0
236.62403869628906	144.0
237.08270263671875	356.0
237.12953186035156	788.0
237.58567810058594	200.0
237.6385040283203	440.0
238.14195251464844	184.0
238.59365844726562	180.0
239.92051696777344	148.0
241.33143615722656	144.0
241.5850372314453	156.0
242.59307861328125	204.0
242.625732421875	720.0
242.88294982910156	176.0
243.13204956054688	696.0
243.63169860839844	1132.0
243.98223876953125	188.0
244.13595581054688	1144.0
244.63893127441406	376.0
245.63340759277344	192.0
246.1101837158203	168.0
246.64126586914062	180.0
247.14031982421875	172.0
247.64480590820312	152.0
249.1028289794922	120.0
249.15065002441406	212.0
249.64163208007812	180.0
250.10321044921875	148.0
250.17022705078125	152.0
250.64263916015625	148.0
251.1407470703125	156.0
251.60275268554688	1060.0
252.07757568359375	156.0
252.10250854492188	212.0
252.59951782226562	192.0
253.13491821289062	144.0
253.4928741455078	236.0
255.9833221435547	152.0
257.13177490234375	736.0
257.62176513671875	316.0
257.6482849121094	220.0
258.0605163574219	148.0
258.13543701171875	244.0
258.6307678222656	188.0
258.656982421875	184.0
259.13592529296875	176.0
259.16156005859375	152.0
259.6115417480469	168.0
260.62774658203125	176.0
262.11767578125	176.0
263.1119384765625	108.0
264.1211853027344	304.0
264.63592529296875	224.0
265.1086120605469	272.0
265.14434814453125	156.0
265.6282043457031	404.0
265.6496276855469	324.0
266.14337158203125	432.0
271.1448974609375	236.0
271.6431884765625	392.0
272.1517333984375	4808.0
272.6522216796875	2096.0
272.81304931640625	196.0
272.9215393066406	172.0
273.1056823730469	192.0
273.1556396484375	484.0
273.6453857421875	160.0
274.11639404296875	116.0
274.60430908203125	180.0
275.1184997558594	584.0
276.1249084472656	116.0
276.58343505859375	176.0
277.1199035644531	172.0
278.1422119140625	220.0
279.1097717285156	168.0
279.31866455078125	140.0
279.62750244140625	316.0
280.13372802734375	212.0
284.1275329589844	152.0
285.1473388671875	260.0
285.3370666503906	176.0
286.13128662109375	544.0
286.6358337402344	272.0
287.6851806640625	140.0
289.1419982910156	140.0
289.41619873046875	144.0
290.1004943847656	176.0
290.4769592285156	216.0
291.111083984375	376.0
292.1178283691406	280.0
292.159912109375	168.0
292.20269775390625	236.0
292.44464111328125	120.0
292.66558837890625	144.0
292.7415466308594	104.0
293.0538635253906	208.0
293.08734130859375	160.0
293.1304626464844	728.0
293.19842529296875	104.0
293.2393493652344	252.0
293.5464782714844	160.0
293.6027526855469	184.0
293.6381530761719	316.0
293.66778564453125	136.0
293.7051696777344	156.0
293.7766418457031	256.0
293.8673095703125	124.0
293.94476318359375	156.0
294.0495910644531	188.0
294.1475830078125	80988.0
294.2840270996094	232.0
294.33953857421875	96.0
294.3825988769531	260.0
294.423583984375	272.0
294.46441650390625	232.0
294.4964599609375	236.0
294.52215576171875	104.0
294.55267333984375	236.0
294.6484069824219	33252.0
294.72882080078125	156.0
294.8226623535156	232.0
294.87860107421875	228.0
294.9124450683594	136.0
294.97698974609375	148.0
295.01861572265625	144.0
295.05474853515625	232.0
295.1495666503906	5736.0
295.2065734863281	108.0
295.2649841308594	228.0
295.3360900878906	180.0
295.4482727050781	124.0
295.5373840332031	124.0
295.5680236816406	112.0
295.6508483886719	1172.0
296.1437683105469	304.0
296.1850280761719	164.0
296.3922424316406	120.0
296.5955810546875	276.0
296.8907165527344	108.0
296.9279479980469	192.0
296.96954345703125	216.0
297.149658203125	200.0
297.20489501953125	204.0
297.24761962890625	120.0
297.27294921875	132.0
297.3106994628906	100.0
297.3778381347656	136.0
298.63201904296875	116.0
299.0191650390625	192.0
302.1315612792969	148.0
303.15435791015625	164.0
304.11712646484375	144.0
304.1448669433594	144.0
305.1488342285156	220.0
306.13323974609375	188.0
306.8966369628906	140.0
307.1058349609375	448.0
310.1197814941406	184.0
314.66204833984375	660.0
316.14013671875	160.0
316.20587158203125	164.0
317.1334533691406	152.0
318.09783935546875	144.0
318.1483154296875	156.0
319.10430908203125	348.0
319.14349365234375	176.0
320.1518859863281	396.0
321.15447998046875	408.0
322.15875244140625	200.0
323.12701416015625	156.0
324.1092529296875	200.0
328.1732177734375	160.0
330.1339416503906	176.0
330.1773376464844	164.0
331.13983154296875	420.0
332.14306640625	168.0
333.15679931640625	292.0
334.04742431640625	184.0
335.1013488769531	284.0
335.1374816894531	152.0
336.13836669921875	140.0
337.1191711425781	144.0
339.8783264160156	164.0
342.94903564453125	184.0
345.1209716796875	176.0
345.17303466796875	148.0
346.111328125	316.0
347.1407470703125	240.0
348.1455993652344	800.0
349.0352478027344	144.0
349.15484619140625	4720.0
349.36627197265625	192.0
350.15692138671875	1260.0
351.1627197265625	204.0
351.4675598144531	212.0
352.1573486328125	160.0
353.12994384765625	152.0
358.1971130371094	176.0
360.16400146484375	216.0
361.15618896484375	124.0
362.1707763671875	172.0
363.13641357421875	208.0
364.1036682128906	164.0
365.0882263183594	132.0
371.32208251953125	148.0
372.1676940917969	132.0
373.11529541015625	104.0
373.1798400878906	264.0
374.1834716796875	360.0
375.1160583496094	196.0
375.1518859863281	144.0
375.1904296875	196.0
376.1723937988281	124.0
376.9001159667969	160.0
377.16290283203125	104.0
384.26953125	164.0
385.1947326660156	156.0
386.1640930175781	148.0
386.19146728515625	176.0
387.149169921875	180.0
391.1617431640625	132.0
392.1556396484375	128.0
393.14215087890625	656.0
394.1476745605469	268.0
395.1498718261719	184.0
400.1689147949219	100.0
401.1789855957031	96.0
402.13653564453125	148.0
402.18084716796875	372.0
404.1609191894531	1588.0
405.1630859375	340.0
406.1678161621094	140.0
412.81317138671875	144.0
414.1365661621094	148.0
414.21478271484375	140.0
417.16357421875	160.0
418.16827392578125	144.0
419.1028137207031	212.0
428.1630859375	144.0
429.0685729980469	172.0
430.20416259765625	284.0
431.1695861816406	144.0
431.2109069824219	224.0
432.1206359863281	144.0
432.1959533691406	196.0
432.234619140625	124.0
440.1842956542969	232.0
440.2135314941406	200.0
443.1750183105469	168.0
444.16693115234375	136.0
445.1598205566406	236.0
446.1845397949219	168.0
447.7758483886719	136.0
448.1456298828125	372.0
449.1387939453125	208.0
450.1554260253906	156.0
456.1864929199219	364.0
458.20635986328125	4624.0
459.2095031738281	1380.0
459.3291931152344	168.0
460.1665954589844	228.0
460.2135925292969	780.0
461.2200622558594	236.0
462.16162109375	144.0
473.15045166015625	208.0
474.15374755859375	208.0
474.1965637207031	248.0
475.2408142089844	140.0
484.1900939941406	176.0
487.2795715332031	168.0
502.1978759765625	2100.0
503.1935119628906	524.0
504.20166015625	320.0
505.22296142578125	180.0
505.5898742675781	152.0
586.4811401367188	164.0
783.73876953125	160.0
1017.3040771484375	160.0
1984.82373046875	192.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079224
PEPMASS=587.295471
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=36.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Irinotecan hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15
INCHI=InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1
INCHIAUX=UWKQSNNFCGGAFS-XIFFEERXSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079224
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079224
SCANS=1065
46.54282760620117	172.0
48.17406463623047	144.0
51.8814582824707	184.0
54.71554946899414	256.0
59.26179122924805	172.0
60.63172149658203	156.0
60.72629165649414	156.0
61.434043884277344	268.0
64.3874740600586	196.0
76.32662963867188	212.0
80.31053161621094	188.0
85.7358169555664	168.0
85.93312072753906	144.0
88.7679214477539	156.0
89.03251647949219	148.0
89.17906188964844	212.0
92.044677734375	192.0
92.65943908691406	192.0
93.05451965332031	156.0
96.0893325805664	176.0
96.6148681640625	144.0
97.63483428955078	180.0
98.09685516357422	624.0
98.42701721191406	216.0
99.0559310913086	200.0
99.0975341796875	156.0
108.0566177368164	148.0
110.06035614013672	1932.0
111.06810760498047	208.0
111.10254669189453	168.0
111.50360107421875	164.0
112.07608795166016	612.0
112.32264709472656	172.0
113.19126892089844	264.0
120.61357116699219	128.0
124.05522155761719	216.0
124.11272430419922	9088.0
125.11692810058594	1060.0
126.10872650146484	100.0
128.05496215820312	148.0
136.06842041015625	156.0
136.22634887695312	160.0
137.103515625	152.0
138.83583068847656	264.0
140.15692138671875	188.0
145.54946899414062	152.0
149.21482849121094	212.0
149.30690002441406	124.0
150.12709045410156	708.0
151.13096618652344	160.0
153.82545471191406	140.0
154.1193389892578	156.0
159.37692260742188	192.0
161.8893280029297	148.0
161.95010375976562	200.0
167.11819458007812	19284.0
167.17926025390625	168.0
168.12081909179688	2872.0
168.1479034423828	156.0
169.1248779296875	240.0
175.55474853515625	216.0
184.5298309326172	160.0
188.67318725585938	164.0
188.9029083251953	164.0
194.08193969726562	344.0
195.1190185546875	184.0
195.14913940429688	8336.0
196.0714874267578	156.0
196.1521453857422	1120.0
197.17056274414062	104.0
198.16954040527344	160.0
200.01177978515625	140.0
207.08636474609375	308.0
208.0999755859375	152.0
213.1605987548828	160.0
215.59678649902344	184.0
224.1788330078125	164.0
231.08517456054688	188.0
235.11444091796875	212.0
235.82911682128906	144.0
241.1092071533203	148.0
243.0974578857422	160.0
246.1111297607422	360.0
246.1480712890625	204.0
247.1223907470703	600.0
249.1014862060547	160.0
251.07809448242188	176.0
260.1337585449219	144.0
262.1020202636719	200.0
262.730712890625	140.0
263.92572021484375	144.0
265.1331481933594	180.0
270.9756774902344	172.0
272.0874938964844	180.0
273.0762023925781	160.0
273.1025085449219	112.0
273.31011962890625	144.0
274.11358642578125	444.0
275.11767578125	420.0
276.014892578125	152.0
276.12225341796875	128.0
278.4007873535156	220.0
281.0337829589844	144.0
282.7078552246094	188.0
285.1413269042969	164.0
286.6772155761719	180.0
287.1446838378906	144.0
288.12005615234375	148.0
288.6384582519531	168.0
290.1257019042969	164.0
291.1104431152344	132.0
292.1215515136719	248.0
298.1358337402344	156.0
299.16424560546875	140.0
300.0840759277344	140.0
301.0927734375	216.0
302.10076904296875	148.0
302.17706298828125	188.0
303.113525390625	328.0
303.1475830078125	984.0
304.1228332519531	144.0
305.0950622558594	156.0
305.1285095214844	152.0
306.0887145996094	160.0
306.1249084472656	120.0
307.1020812988281	316.0
307.2005920410156	144.0
315.1435241699219	144.0
316.118896484375	700.0
317.129150390625	268.0
318.134033203125	1440.0
318.1985778808594	156.0
319.1080017089844	284.0
319.1411437988281	608.0
320.1166076660156	184.0
321.15216064453125	108.0
322.08953857421875	180.0
325.1341857910156	152.0
329.12615966796875	668.0
329.1905212402344	252.0
329.8525085449219	152.0
330.1261901855469	292.0
331.0992736816406	156.0
331.1430969238281	6272.0
331.9886474609375	216.0
332.14813232421875	1624.0
333.08447265625	124.0
333.1481018066406	308.0
333.71514892578125	160.0
334.0860900878906	324.0
334.1328430175781	132.0
334.166259765625	196.0
334.4324951171875	120.0
334.56475830078125	144.0
335.1369323730469	632.0
336.1408386230469	188.0
338.0906677246094	168.0
339.0956726074219	212.0
340.0903625488281	168.0
341.63153076171875	100.0
342.1024475097656	172.0
343.13067626953125	216.0
344.1537170410156	224.0
345.1169128417969	148.0
345.1602783203125	300.0
346.09405517578125	1916.0
346.1587219238281	132.0
346.36749267578125	152.0
347.1009826660156	592.0
347.14306640625	488.0
348.1109924316406	1988.0
349.08197021484375	320.0
349.1103820800781	268.0
349.15997314453125	300.0
350.0916442871094	160.0
350.1299133300781	164.0
351.0839538574219	144.0
351.1336669921875	284.0
352.3381042480469	160.0
353.1866455078125	164.0
353.8265380859375	156.0
357.17816162109375	184.0
357.7797546386719	152.0
358.09002685546875	168.0
358.157958984375	240.0
359.13861083984375	152.0
360.16754150390625	264.0
361.153564453125	1356.0
362.1180725097656	132.0
362.1553649902344	436.0
363.1343994140625	2452.0
364.1368408203125	1096.0
365.1445617675781	144.0
367.6805419921875	168.0
369.1666259765625	152.0
369.8591003417969	148.0
370.1554870605469	244.0
370.2215881347656	184.0
372.17022705078125	1248.0
373.1740417480469	376.0
374.1700744628906	188.0
375.1348571777344	2396.0
375.2719421386719	212.0
376.1377258300781	1172.0
377.1026916503906	160.0
377.14202880859375	500.0
378.08599853515625	528.0
378.1546325683594	140.0
379.09039306640625	884.0
379.12847900390625	240.0
380.10906982421875	128.0
381.0931396484375	152.0
384.15185546875	128.0
384.1802673339844	164.0
385.1822509765625	136.0
386.18646240234375	160.0
387.1245422363281	112.0
389.0879821777344	224.0
389.154052734375	224.0
389.86962890625	232.0
389.9482116699219	172.0
390.17095947265625	180.0
390.89990234375	172.0
391.12615966796875	512.0
391.1798095703125	172.0
392.12860107421875	148.0
392.19561767578125	152.0
393.1508483886719	492.0
394.1494140625	144.0
395.1415100097656	184.0
396.6186218261719	208.0
398.79766845703125	144.0
400.17010498046875	200.0
401.1601867675781	112.0
402.1549987792969	384.0
403.1391296386719	396.0
403.1777038574219	376.0
403.5014953613281	148.0
404.16607666015625	172.0
405.0461730957031	148.0
405.1437683105469	2400.0
406.14971923828125	1000.0
407.1211853027344	2368.0
408.1247253417969	392.0
409.14361572265625	136.0
412.2019348144531	176.0
412.26812744140625	148.0
412.361083984375	156.0
412.607666015625	160.0
413.1920471191406	136.0
413.7344970703125	164.0
414.2171630859375	4624.0
415.1383056640625	152.0
415.2213439941406	1836.0
416.1556091308594	564.0
416.20947265625	260.0
417.1236572265625	184.0
417.1633605957031	276.0
417.23748779296875	160.0
418.1612548828125	160.0
419.1233215332031	152.0
421.1535339355469	304.0
423.0467529296875	152.0
423.11224365234375	152.0
425.22564697265625	160.0
425.28485107421875	204.0
429.157958984375	248.0
430.1283874511719	148.0
430.1790466308594	232.0
430.2101745605469	168.0
431.1737365722656	160.0
431.75738525390625	140.0
435.55804443359375	176.0
437.33349609375	152.0
440.970458984375	144.0
441.18780517578125	276.0
443.17578125	364.0
446.126953125	308.0
446.2144470214844	240.0
447.1517639160156	160.0
448.1484069824219	112.0
449.16265869140625	156.0
450.83843994140625	212.0
452.2425537109375	140.0
454.0898132324219	180.0
454.21282958984375	140.0
456.1853942871094	256.0
457.1528625488281	224.0
458.2071533203125	6940.0
459.061279296875	168.0
459.09967041015625	164.0
459.2109069824219	2264.0
460.0682373046875	196.0
460.1521301269531	664.0
460.2116394042969	396.0
460.8267822265625	136.0
461.0234680175781	112.0
461.1531677246094	340.0
471.1179504394531	200.0
471.1957092285156	144.0
472.17694091796875	144.0
473.1510009765625	352.0
474.1524353027344	260.0
474.2027282714844	352.0
475.15435791015625	120.0
475.22296142578125	112.0
484.17633056640625	120.0
485.1572265625	176.0
485.1947326660156	152.0
486.1660461425781	180.0
486.20770263671875	148.0
486.2608337402344	232.0
487.1846923828125	156.0
487.9186096191406	144.0
491.71368408203125	120.0
493.8230285644531	152.0
496.6493835449219	164.0
500.1323547363281	164.0
500.1852722167969	108.0
501.1818542480469	276.0
501.7315368652344	188.0
502.0960388183594	144.0
502.1967468261719	12660.0
502.3838806152344	184.0
502.4852294921875	236.0
502.73956298828125	164.0
502.97821044921875	120.0
503.2000427246094	4448.0
503.43597412109375	148.0
504.19873046875	920.0
504.5250244140625	136.0
505.2040710449219	176.0
505.5749206542969	180.0
506.1996765136719	156.0
506.30352783203125	112.0
508.625	256.0
511.5693359375	152.0
515.9090576171875	144.0
516.2510375976562	188.0
518.1370849609375	144.0
518.2388305664062	144.0
519.2549438476562	104.0
521.252685546875	164.0
523.1219482421875	164.0
523.5863647460938	148.0
527.3502807617188	188.0
529.30419921875	156.0
531.3845825195312	176.0
532.7251586914062	152.0
535.8949584960938	192.0
539.2127685546875	160.0
541.3269653320312	156.0
541.5538940429688	140.0
542.3771362304688	124.0
543.22021484375	136.0
543.2970581054688	4600.0
544.0635375976562	136.0
544.298095703125	1540.0
545.3092651367188	612.0
548.1927490234375	272.0
555.6787109375	140.0
558.23974609375	172.0
558.287841796875	220.0
559.2417602539062	192.0
560.8656616210938	164.0
564.373291015625	212.0
568.1527099609375	140.0
571.1026000976562	140.0
571.169189453125	160.0
571.2652587890625	260.0
572.2484130859375	164.0
578.6298217773438	136.0
580.1226806640625	144.0
583.0259399414062	112.0
583.2379760742188	192.0
583.53955078125	116.0
583.6343994140625	96.0
583.941162109375	112.0
584.1487426757812	128.0
584.3639526367188	144.0
585.1136474609375	140.0
585.28466796875	364.0
585.4537353515625	140.0
585.6182250976562	156.0
585.7063598632812	108.0
585.7407836914062	228.0
585.8480834960938	188.0
585.9744873046875	216.0
586.1232299804688	104.0
586.1971435546875	288.0
586.2789916992188	232.0
586.3299560546875	120.0
586.37939453125	164.0
586.4342651367188	128.0
586.4902954101562	144.0
586.5242309570312	204.0
586.5933837890625	208.0
586.7055053710938	140.0
586.789794921875	208.0
586.8847045898438	192.0
586.95166015625	140.0
587.060546875	460.0
587.1038208007812	212.0
587.1619262695312	372.0
587.2880249023438	147992.0
587.405029296875	596.0
587.4542236328125	360.0
587.5175170898438	168.0
587.5517578125	116.0
587.6073608398438	136.0
587.70166015625	256.0
587.7418823242188	136.0
587.7877807617188	220.0
587.8811645507812	196.0
587.953369140625	140.0
588.0304565429688	196.0
588.0784912109375	480.0
588.1610107421875	312.0
588.2897338867188	57628.0
588.4638061523438	304.0
588.5451049804688	140.0
588.6382446289062	144.0
588.7027587890625	160.0
588.74853515625	148.0
588.8178100585938	412.0
588.8750610351562	248.0
588.9439086914062	236.0
589.0157470703125	104.0
589.0805053710938	124.0
589.2926635742188	12080.0
589.5250244140625	148.0
589.693359375	160.0
589.7813720703125	104.0
590.0349731445312	116.0
590.1771850585938	116.0
590.2921752929688	1576.0
590.4306640625	160.0
590.681640625	188.0
590.83837890625	100.0
590.922119140625	96.0
590.97607421875	96.0
591.2340087890625	196.0
591.2986450195312	96.0
591.3790283203125	212.0
591.4592895507812	220.0
591.5729370117188	272.0
591.6364135742188	188.0
591.6926879882812	160.0
591.7453002929688	240.0
591.9180297851562	172.0
592.1611938476562	104.0
592.3762817382812	120.0
592.4210205078125	152.0
592.5206909179688	160.0
592.85400390625	120.0
593.0206909179688	156.0
593.7138671875	132.0
594.0797729492188	236.0
596.8045043945312	120.0
606.0021362304688	124.0
630.3490600585938	140.0
633.1505126953125	164.0
637.8289794921875	136.0
687.458251953125	140.0
739.2576293945312	156.0
740.3890380859375	148.0
795.7053833007812	116.0
835.3621826171875	160.0
892.2830810546875	152.0
1194.148193359375	140.0
1406.585205078125	140.0
1508.0550537109375	176.0
1631.753662109375	276.0
1637.8856201171875	172.0
1662.950927734375	172.0
1694.2388916015625	140.0
1755.5374755859375	188.0
1764.88134765625	196.0
1779.1661376953125	224.0
1794.6719970703125	140.0
1823.640869140625	216.0
1860.6630859375	200.0
1893.4906005859375	140.0
1893.9149169921875	196.0
1907.511962890625	184.0
1919.779541015625	204.0
1994.09521484375	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079225
PEPMASS=243.152466
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(5R,9R,Z)-5-amino-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2-ol" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C/C=C\1/[C@@H]2Cc3nc(O)ccc3[C@@]1(N)CC(=C2)C
INCHI=InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3-/t10-,15+/m0/s1
INCHIAUX=ZRJBHWIHUMBLCN-SEQYCRGISA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079225
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079225
SCANS=989
45.00907516479492	140.0
55.14682388305664	168.0
56.55240249633789	184.0
56.796634674072266	176.0
58.80300521850586	140.0
59.1989631652832	140.0
59.48874282836914	212.0
61.410621643066406	140.0
63.60409164428711	176.0
63.88217544555664	212.0
64.57604217529297	212.0
67.2958755493164	144.0
68.03096771240234	272.0
68.6611557006836	156.0
68.99139404296875	168.0
69.16763305664062	148.0
70.44884490966797	144.0
70.50064086914062	176.0
71.03810119628906	176.0
72.24935150146484	168.0
74.47223663330078	160.0
76.45184326171875	140.0
76.70613098144531	176.0
78.07005310058594	140.0
81.52974700927734	204.0
82.02110290527344	220.0
82.51935577392578	216.0
82.66043853759766	212.0
83.80802154541016	152.0
84.27693939208984	192.0
84.39757537841797	168.0
84.78199005126953	160.0
92.11609649658203	144.0
92.2479476928711	160.0
94.12889099121094	176.0
94.94941711425781	192.0
95.86895751953125	264.0
96.4388427734375	176.0
96.61286926269531	148.0
99.19157409667969	144.0
99.49018096923828	160.0
101.11871337890625	152.0
101.73407745361328	188.0
103.0521011352539	200.0
103.17044830322266	156.0
104.04766082763672	192.0
104.37883758544922	152.0
104.80017852783203	168.0
105.0305404663086	176.0
105.3959732055664	144.0
106.06668853759766	352.0
106.1656494140625	168.0
106.34003448486328	216.0
106.9978256225586	196.0
108.66361999511719	180.0
109.0290756225586	140.0
110.0748291015625	144.0
110.60795593261719	228.0
110.90957641601562	140.0
113.47938537597656	148.0
115.0567398071289	204.0
115.27802276611328	180.0
116.05557250976562	128.0
116.3017349243164	248.0
116.41767120361328	140.0
117.05634307861328	216.0
119.07086944580078	144.0
119.44789123535156	196.0
120.03592681884766	152.0
121.01043701171875	176.0
125.01463317871094	168.0
127.054931640625	120.0
127.22967529296875	160.0
127.27682495117188	144.0
127.54192352294922	208.0
128.03689575195312	144.0
128.06134033203125	292.0
129.05007934570312	152.0
129.06854248046875	1012.0
130.0649871826172	196.0
130.51934814453125	148.0
131.0746307373047	152.0
131.31411743164062	140.0
132.04383850097656	180.0
132.08155822753906	140.0
132.8489532470703	192.0
133.05316162109375	340.0
133.61856079101562	156.0
134.0585174560547	804.0
134.09423828125	248.0
135.05331420898438	260.0
135.10064697265625	112.0
136.11712646484375	144.0
137.08482360839844	148.0
138.45846557617188	148.0
138.83811950683594	192.0
139.05642700195312	148.0
140.05320739746094	204.0
141.06837463378906	264.0
142.07650756835938	364.0
142.5824432373047	216.0
143.0857391357422	212.0
144.0764923095703	300.0
144.167236328125	152.0
145.27340698242188	144.0
145.41978454589844	156.0
146.05917358398438	708.0
147.05401611328125	280.0
147.5419464111328	172.0
148.6221466064453	168.0
150.484130859375	140.0
151.07554626464844	152.0
151.68040466308594	140.0
152.0663299560547	256.0
152.10720825195312	228.0
153.06915283203125	396.0
153.36936950683594	160.0
153.43807983398438	228.0
154.06472778320312	620.0
155.0692901611328	316.0
156.0830078125	1096.0
157.0642547607422	208.0
157.0901641845703	204.0
158.063720703125	512.0
158.0930938720703	276.0
159.0679473876953	232.0
159.1005859375	148.0
159.8218994140625	164.0
160.07244873046875	164.0
160.9990997314453	172.0
161.08251953125	320.0
162.16287231445312	200.0
162.2515869140625	180.0
162.93173217773438	144.0
163.44786071777344	172.0
163.5878448486328	192.0
164.08460998535156	168.0
165.0684814453125	692.0
165.46165466308594	172.0
165.74339294433594	184.0
165.97665405273438	176.0
166.06759643554688	692.0
166.7956085205078	184.0
167.07566833496094	568.0
167.2225799560547	152.0
168.08203125	1644.0
169.0899658203125	840.0
169.27496337890625	188.0
169.8736572265625	148.0
170.06260681152344	416.0
170.095458984375	1024.0
170.36949157714844	144.0
171.06979370117188	416.0
171.09765625	148.0
172.07862854003906	672.0
172.1162872314453	156.0
173.07940673828125	148.0
176.5608367919922	164.0
177.05838012695312	240.0
177.38427734375	184.0
178.06494140625	1020.0
178.94635009765625	184.0
179.06947326660156	520.0
180.08013916015625	1416.0
181.09962463378906	1492.0
182.06057739257812	1972.0
182.0963897705078	1040.0
182.7765655517578	244.0
183.06610107421875	2056.0
183.1042938232422	740.0
184.0763702392578	2652.0
184.1174774169922	160.0
185.07493591308594	324.0
185.12014770507812	172.0
186.09014892578125	484.0
187.0871124267578	584.0
187.64114379882812	152.0
188.09701538085938	144.0
188.80982971191406	160.0
190.06431579589844	136.0
191.0749969482422	316.0
192.080810546875	588.0
192.32110595703125	208.0
192.9951629638672	164.0
193.08827209472656	1512.0
194.09332275390625	144.0
195.0709686279297	156.0
195.09100341796875	340.0
196.07533264160156	4628.0
196.16567993164062	208.0
197.08360290527344	6480.0
198.0921630859375	3136.0
198.1274871826172	1228.0
199.09571838378906	496.0
199.1288299560547	252.0
199.1500701904297	220.0
200.0906219482422	112.0
200.5299530029297	232.0
200.63424682617188	148.0
201.46392822265625	168.0
202.105712890625	156.0
203.83253479003906	152.0
204.38131713867188	148.0
206.09349060058594	412.0
207.10194396972656	140.0
207.2824249267578	152.0
208.04534912109375	148.0
208.11155700683594	1712.0
209.1078338623047	700.0
210.09031677246094	4800.0
210.12448120117188	232.0
210.22706604003906	224.0
211.0983123779297	4064.0
211.1312713623047	168.0
212.10302734375	768.0
213.10357666015625	704.0
213.26803588867188	152.0
216.14060974121094	184.0
218.4466094970703	240.0
220.11180114746094	144.0
221.753662109375	168.0
224.00294494628906	204.0
224.10765075683594	1432.0
225.11080932617188	460.0
225.62179565429688	128.0
225.93783569335938	164.0
226.00100708007812	164.0
226.12344360351562	42996.0
226.21173095703125	112.0
226.42218017578125	108.0
226.49200439453125	152.0
226.94190979003906	128.0
226.97666931152344	140.0
227.0726318359375	180.0
227.1241912841797	5788.0
227.54537963867188	96.0
228.12937927246094	744.0
228.1737823486328	124.0
228.61483764648438	244.0
228.65293884277344	180.0
228.6830291748047	148.0
228.82150268554688	140.0
229.13650512695312	180.0
232.40609741210938	200.0
233.9408721923828	152.0
238.5598602294922	212.0
243.0787353515625	160.0
243.14932250976562	14716.0
243.3363494873047	196.0
243.38401794433594	256.0
243.861328125	180.0
244.15185546875	2868.0
245.10133361816406	192.0
245.1534881591797	540.0
1095.343017578125	176.0
1467.9254150390625	172.0
1520.4696044921875	152.0
1533.7928466796875	180.0
1556.9180908203125	116.0
1596.7923583984375	160.0
1744.0225830078125	140.0
1751.028076171875	188.0
1796.3917236328125	164.0
1840.678466796875	256.0
1895.70751953125	176.0
1956.958251953125	144.0
1964.8638916015625	204.0
1973.4927978515625	176.0
1988.321533203125	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079226
PEPMASS=264.179596
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Metylperon [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
INCHI=InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3
INCHIAUX=DKMFBWQBDIGMHM-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079226
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079226
SCANS=1077
45.22438430786133	184.0
45.35028839111328	176.0
45.46831130981445	188.0
45.523353576660156	152.0
45.575740814208984	156.0
45.655052185058594	148.0
45.91632080078125	184.0
45.94599914550781	152.0
46.27206039428711	184.0
47.283111572265625	172.0
47.29953384399414	144.0
47.36115264892578	228.0
47.418697357177734	160.0
47.48725128173828	156.0
47.56271743774414	184.0
47.68083572387695	148.0
47.71107482910156	148.0
47.91751480102539	160.0
48.284698486328125	168.0
48.38294219970703	156.0
48.40093994140625	144.0
48.6838264465332	172.0
48.90627670288086	160.0
48.91880416870117	140.0
48.956398010253906	152.0
49.044212341308594	136.0
49.08320617675781	188.0
49.24369430541992	192.0
49.26045608520508	188.0
49.30796432495117	252.0
49.50101852416992	140.0
50.192378997802734	172.0
50.21070861816406	152.0
50.37444305419922	152.0
50.44792556762695	192.0
50.794864654541016	144.0
50.87575149536133	148.0
50.972900390625	120.0
51.23128128051758	148.0
51.37812042236328	152.0
51.927406311035156	176.0
51.95465850830078	152.0
52.05369567871094	152.0
52.7741584777832	196.0
52.859500885009766	176.0
52.889892578125	144.0
53.05358123779297	164.0
53.310489654541016	156.0
53.41226577758789	148.0
53.68607711791992	160.0
54.01590347290039	180.0
54.15375518798828	140.0
54.17426300048828	188.0
54.2885856628418	140.0
54.49114990234375	168.0
54.6970329284668	160.0
54.892982482910156	140.0
54.9563102722168	176.0
54.980018615722656	156.0
55.01396942138672	196.0
55.163169860839844	224.0
55.52741622924805	156.0
55.55263137817383	160.0
55.64464569091797	176.0
55.87947082519531	148.0
55.97175598144531	208.0
56.122249603271484	360.0
56.26249313354492	180.0
56.48964309692383	216.0
56.513580322265625	156.0
56.71425247192383	176.0
56.91227722167969	144.0
57.41337585449219	148.0
57.66932678222656	144.0
58.0758171081543	216.0
58.1668586730957	208.0
58.305076599121094	168.0
58.71003341674805	236.0
58.75884246826172	144.0
59.00931930541992	204.0
59.03531265258789	208.0
59.53797149658203	180.0
60.11063766479492	160.0
60.562068939208984	172.0
60.76514434814453	176.0
60.92971420288086	248.0
61.225250244140625	148.0
61.25640106201172	228.0
61.680843353271484	160.0
61.716800689697266	176.0
62.84456253051758	204.0
62.85560607910156	184.0
62.9073486328125	148.0
63.22064208984375	164.0
64.1434326171875	264.0
64.68334197998047	204.0
64.97982025146484	156.0
65.21266174316406	148.0
65.22552490234375	176.0
65.38314056396484	156.0
65.65863037109375	160.0
65.77803039550781	152.0
66.02200317382812	152.0
66.24212646484375	172.0
66.31990051269531	168.0
66.5145492553711	272.0
66.96656799316406	160.0
66.97797393798828	144.0
67.2747573852539	232.0
67.5656509399414	188.0
67.68512725830078	144.0
67.73917388916016	144.0
68.04913330078125	196.0
68.17725372314453	208.0
68.28575897216797	220.0
68.4371566772461	160.0
69.50328063964844	220.0
69.64546966552734	136.0
69.98326873779297	124.0
70.17691802978516	160.0
70.31036376953125	208.0
70.42556762695312	160.0
71.17415618896484	144.0
71.19766235351562	140.0
71.37747192382812	140.0
71.53898620605469	152.0
71.7613754272461	176.0
71.79678344726562	176.0
71.99254608154297	172.0
72.26860809326172	228.0
72.37808990478516	184.0
72.85977935791016	148.0
72.89546203613281	220.0
73.12504577636719	140.0
73.17781829833984	192.0
73.48289489746094	140.0
73.52725982666016	200.0
73.54945373535156	224.0
73.88939666748047	176.0
74.5531005859375	176.0
74.67516326904297	160.0
74.74913787841797	200.0
74.96094512939453	164.0
75.47173309326172	236.0
75.57366180419922	176.0
75.96720123291016	140.0
76.04354858398438	192.0
76.20156860351562	292.0
76.46240234375	160.0
76.54074096679688	160.0
76.58428192138672	176.0
76.66616821289062	140.0
76.72019958496094	204.0
77.03082275390625	160.0
77.16363525390625	220.0
77.3963394165039	156.0
77.60835266113281	164.0
77.6521987915039	184.0
77.73289489746094	152.0
77.7837905883789	140.0
77.84700012207031	196.0
78.06490325927734	180.0
78.2162094116211	156.0
78.33280944824219	128.0
78.35884857177734	152.0
78.39937591552734	252.0
78.64981842041016	184.0
78.73103332519531	176.0
78.79774475097656	272.0
78.94486999511719	180.0
79.02092742919922	192.0
79.0394058227539	136.0
79.28121948242188	180.0
79.36808013916016	188.0
79.78887176513672	152.0
79.86711883544922	152.0
80.00057220458984	188.0
80.11454772949219	236.0
80.17512512207031	140.0
80.86808776855469	184.0
81.05791473388672	160.0
81.0830078125	156.0
81.3646240234375	168.0
81.74747467041016	196.0
81.763671875	140.0
81.87348937988281	164.0
82.06809997558594	228.0
82.33697509765625	156.0
82.85067749023438	156.0
83.0373764038086	184.0
83.4295883178711	216.0
83.49323272705078	140.0
83.83912658691406	140.0
84.21861267089844	176.0
84.24418640136719	160.0
84.26611328125	156.0
84.50745391845703	144.0
85.4100341796875	172.0
85.50202941894531	228.0
85.63826751708984	232.0
85.80043029785156	180.0
85.9664306640625	156.0
86.16769409179688	164.0
86.26749420166016	140.0
86.55796813964844	160.0
86.62093353271484	148.0
86.93798065185547	144.0
86.98438262939453	172.0
87.37835693359375	168.0
87.94298553466797	232.0
87.96538543701172	144.0
88.08489227294922	144.0
88.13720703125	196.0
88.2923583984375	168.0
88.38401794433594	264.0
88.47198486328125	172.0
88.48509216308594	160.0
88.51879119873047	176.0
88.58434295654297	168.0
89.22239685058594	236.0
89.2974624633789	100.0
89.4293212890625	140.0
89.5140380859375	148.0
89.67789459228516	192.0
90.22157287597656	232.0
90.65122985839844	168.0
90.81237030029297	160.0
91.04771423339844	204.0
91.1198959350586	180.0
91.80131530761719	164.0
91.99593353271484	152.0
92.0302963256836	148.0
92.17163848876953	176.0
92.70361328125	164.0
93.037353515625	172.0
93.23519134521484	200.0
93.31562042236328	152.0
93.41015625	172.0
93.51213836669922	208.0
93.63497161865234	160.0
94.37443542480469	156.0
94.38796997070312	176.0
94.45565795898438	140.0
94.49628448486328	148.0
95.00387573242188	168.0
95.02894592285156	2080.0
95.0911865234375	140.0
95.22321319580078	184.0
95.56534576416016	180.0
95.76974487304688	216.0
95.87690734863281	160.0
96.03319549560547	204.0
96.08554077148438	180.0
96.10310363769531	164.0
96.14408111572266	144.0
96.3393325805664	152.0
96.85952758789062	156.0
96.96351623535156	144.0
97.15763854980469	184.0
97.29501342773438	176.0
97.54647064208984	152.0
97.60938262939453	152.0
97.713623046875	164.0
97.72740173339844	180.0
98.02152252197266	300.0
98.0956802368164	168.0
98.49625396728516	172.0
98.53378295898438	148.0
98.78089904785156	184.0
98.86756896972656	184.0
98.95108795166016	172.0
99.00284576416016	144.0
99.0229721069336	440.0
99.08076477050781	168.0
99.149169921875	248.0
99.21656799316406	140.0
99.37919616699219	176.0
99.97731018066406	156.0
100.07286071777344	344.0
100.11204528808594	1516.0
100.14083099365234	180.0
100.36974334716797	168.0
100.85685729980469	156.0
101.14397430419922	136.0
101.2149658203125	204.0
101.30509185791016	164.0
102.64968872070312	144.0
102.79695129394531	176.0
102.90998840332031	208.0
102.93623352050781	160.0
103.08369445800781	196.0
104.49900817871094	160.0
104.5152816772461	160.0
105.09191131591797	180.0
105.17353820800781	172.0
105.61283874511719	220.0
105.66193389892578	192.0
106.60513305664062	152.0
107.61032104492188	156.0
107.73836517333984	156.0
107.98020935058594	148.0
108.23267364501953	144.0
109.04403686523438	304.0
109.44319915771484	160.0
109.70645904541016	144.0
109.72447204589844	208.0
110.1836166381836	188.0
110.20450592041016	140.0
110.30094909667969	136.0
110.34453582763672	184.0
110.71281433105469	152.0
111.02629089355469	236.0
111.04813385009766	172.0
111.2467041015625	164.0
111.26847076416016	196.0
111.85077667236328	208.0
111.86550903320312	180.0
111.89976501464844	176.0
111.94303894042969	208.0
112.1056137084961	156.0
112.39872741699219	252.0
112.52325439453125	176.0
112.639404296875	192.0
113.01782989501953	188.0
113.04096984863281	320.0
113.4753189086914	160.0
113.56226348876953	180.0
113.68531036376953	208.0
114.03785705566406	216.0
114.23561096191406	232.0
114.32709503173828	168.0
114.39946746826172	168.0
114.48250579833984	168.0
114.61457061767578	144.0
115.1414794921875	164.0
115.22692108154297	172.0
115.68885803222656	140.0
116.06807708740234	140.0
116.94365692138672	196.0
117.12760162353516	192.0
117.23963165283203	180.0
117.39916229248047	168.0
117.5088119506836	144.0
117.54369354248047	212.0
117.66024017333984	168.0
117.70342254638672	168.0
118.08809661865234	164.0
119.30673217773438	180.0
119.940185546875	312.0
120.72835540771484	168.0
120.75022888183594	156.0
120.98654174804688	180.0
121.00843811035156	160.0
121.0756607055664	384.0
121.77750396728516	180.0
121.80010223388672	220.0
121.98406982421875	196.0
122.1012191772461	152.0
122.1422119140625	188.0
122.44454193115234	156.0
122.502197265625	160.0
122.58332824707031	152.0
122.64429473876953	296.0
122.67471313476562	200.0
122.76510620117188	148.0
122.86555480957031	176.0
122.8832015991211	148.0
122.95671844482422	196.0
122.97334289550781	316.0
123.0256118774414	102092.0
123.07151794433594	244.0
123.12309265136719	124.0
123.16551208496094	132.0
123.22420501708984	192.0
123.25220489501953	160.0
123.26979064941406	192.0
123.34526062011719	192.0
123.36747741699219	124.0
123.38796997070312	1428.0
123.48734283447266	116.0
123.76270294189453	204.0
123.88677215576172	204.0
123.9656753540039	152.0
124.02780151367188	8232.0
124.10086059570312	156.0
124.23796081542969	136.0
124.35813903808594	124.0
124.59902954101562	164.0
124.66619873046875	280.0
124.7390365600586	152.0
124.78876495361328	136.0
124.83992767333984	232.0
124.85795593261719	120.0
124.89913940429688	296.0
124.95657348632812	156.0
125.03104400634766	848.0
125.06105041503906	160.0
125.10279083251953	104.0
126.03773498535156	188.0
126.26463317871094	232.0
126.50578308105469	164.0
126.75214385986328	152.0
127.2702865600586	160.0
127.47245025634766	156.0
127.52863311767578	160.0
127.87049865722656	200.0
127.97179412841797	160.0
128.22634887695312	188.0
128.8468780517578	148.0
129.04368591308594	188.0
129.40550231933594	148.0
129.50967407226562	164.0
129.5345916748047	176.0
129.76800537109375	180.0
130.0561065673828	168.0
130.9564971923828	156.0
131.07040405273438	144.0
131.14332580566406	260.0
131.34397888183594	140.0
131.6749267578125	156.0
131.72061157226562	180.0
131.86912536621094	184.0
132.20074462890625	180.0
132.4250946044922	184.0
133.04656982421875	176.0
133.29080200195312	132.0
133.529052734375	144.0
134.78543090820312	156.0
134.8270263671875	168.0
135.00271606445312	160.0
135.0547332763672	136.0
135.5467071533203	144.0
135.64173889160156	160.0
135.76693725585938	168.0
135.97573852539062	280.0
136.109619140625	384.0
136.3705596923828	200.0
136.5542449951172	176.0
136.93826293945312	180.0
137.07106018066406	144.0
137.12489318847656	152.0
137.69158935546875	152.0
137.72427368164062	220.0
138.5102081298828	140.0
138.8242645263672	168.0
138.98696899414062	176.0
139.07998657226562	208.0
139.39939880371094	192.0
139.9921875	312.0
140.02044677734375	184.0
141.1319122314453	168.0
141.2004852294922	156.0
141.67625427246094	152.0
141.7828826904297	244.0
141.926025390625	104.0
142.0057373046875	140.0
143.99305725097656	152.0
144.1292266845703	208.0
144.63623046875	152.0
145.4320068359375	176.0
145.4488067626953	188.0
145.82350158691406	212.0
145.87158203125	208.0
146.05142211914062	332.0
146.16615295410156	132.0
146.47314453125	192.0
147.0637664794922	560.0
147.165283203125	144.0
147.2957000732422	168.0
147.51162719726562	156.0
147.97039794921875	152.0
148.0067138671875	160.0
148.0769500732422	176.0
148.19805908203125	156.0
148.3628692626953	156.0
148.99627685546875	156.0
149.0774688720703	396.0
149.44850158691406	188.0
149.7454833984375	236.0
149.8551025390625	188.0
150.15493774414062	164.0
150.2329864501953	164.0
152.50289916992188	180.0
152.60861206054688	164.0
153.47776794433594	156.0
154.1400146484375	176.0
155.05987548828125	280.0
155.8937225341797	144.0
156.21446228027344	184.0
156.34881591796875	160.0
156.5106201171875	220.0
156.9815673828125	140.0
158.43624877929688	152.0
158.589111328125	176.0
158.94960021972656	156.0
159.09776306152344	144.0
159.9605712890625	204.0
160.61318969726562	152.0
161.00439453125	144.0
161.47193908691406	156.0
161.94854736328125	132.0
162.0237579345703	216.0
162.1200408935547	160.0
162.1808624267578	164.0
162.36087036132812	144.0
162.5308380126953	176.0
162.7096405029297	144.0
162.95993041992188	176.0
163.45066833496094	156.0
163.57791137695312	172.0
163.60845947265625	144.0
164.59771728515625	172.0
164.74330139160156	148.0
164.7611846923828	156.0
164.8037109375	148.0
164.86338806152344	288.0
164.88243103027344	136.0
164.9337615966797	364.0
164.96817016601562	332.0
164.99867248535156	172.0
165.02442932128906	352.0
165.0719451904297	205336.0
165.1337127685547	160.0
165.20399475097656	148.0
165.22543334960938	124.0
165.24754333496094	244.0
165.3093719482422	212.0
165.36886596679688	320.0
165.41592407226562	228.0
165.4928741455078	284.0
165.53343200683594	112.0
165.5628204345703	108.0
165.60470581054688	176.0
165.68174743652344	116.0
165.7433624267578	108.0
165.9555206298828	196.0
166.04039001464844	212.0
166.0750732421875	20420.0
166.21180725097656	212.0
166.43605041503906	116.0
166.5491943359375	200.0
166.60057067871094	160.0
166.65969848632812	296.0
166.75360107421875	108.0
167.013916015625	160.0
167.0774383544922	1240.0
167.12579345703125	252.0
167.16903686523438	128.0
167.2540740966797	100.0
167.3239288330078	204.0
167.40284729003906	192.0
167.4700164794922	216.0
167.97006225585938	192.0
168.20745849609375	160.0
168.5251007080078	144.0
168.85340881347656	220.0
170.47979736328125	148.0
170.5646514892578	140.0
170.9131317138672	148.0
172.6844482421875	156.0
172.76292419433594	160.0
173.682373046875	156.0
175.00949096679688	172.0
175.3186492919922	144.0
176.27032470703125	188.0
176.54483032226562	128.0
178.1036376953125	212.0
178.4304962158203	176.0
180.48080444335938	152.0
180.70013427734375	140.0
183.0406494140625	148.0
184.08961486816406	156.0
184.31381225585938	208.0
184.5516815185547	152.0
185.09011840820312	176.0
185.4910888671875	164.0
187.24087524414062	160.0
187.37979125976562	152.0
187.76959228515625	172.0
188.151611328125	316.0
189.61776733398438	168.0
191.80812072753906	140.0
192.2579345703125	196.0
194.0834503173828	120.0
194.2666778564453	216.0
195.09298706054688	588.0
195.2471466064453	144.0
195.46414184570312	164.0
195.7007293701172	216.0
196.0865936279297	100.0
196.77972412109375	184.0
196.8662872314453	152.0
197.48960876464844	252.0
197.7843780517578	176.0
198.94662475585938	176.0
200.16685485839844	192.0
200.3048553466797	160.0
200.45135498046875	208.0
200.8601531982422	248.0
201.23548889160156	164.0
201.51510620117188	148.0
201.6884307861328	132.0
201.82882690429688	172.0
202.0918731689453	152.0
202.2729949951172	232.0
202.87921142578125	156.0
203.0833740234375	144.0
203.48916625976562	148.0
203.53460693359375	156.0
204.11087036132812	124.0
204.13417053222656	348.0
205.0679473876953	160.0
205.5641632080078	144.0
205.71258544921875	208.0
206.54698181152344	156.0
207.2225799560547	216.0
208.33250427246094	100.0
208.60585021972656	148.0
208.925048828125	208.0
209.1035614013672	104.0
209.17539978027344	224.0
209.42015075683594	160.0
210.92633056640625	208.0
211.84652709960938	184.0
212.4495086669922	208.0
212.54234313964844	160.0
213.77149963378906	188.0
214.5928955078125	144.0
216.9170379638672	192.0
217.26895141601562	180.0
217.81788635253906	180.0
219.02978515625	184.0
220.10623168945312	216.0
220.48435974121094	140.0
220.51686096191406	180.0
220.7533721923828	184.0
221.013671875	164.0
221.40145874023438	160.0
222.32640075683594	200.0
222.98272705078125	152.0
225.35772705078125	148.0
226.03048706054688	156.0
226.68792724609375	164.0
226.87808227539062	216.0
227.16297912597656	208.0
227.4240264892578	160.0
227.59214782714844	148.0
228.1840362548828	160.0
228.37950134277344	180.0
228.75563049316406	224.0
230.32363891601562	176.0
230.37498474121094	164.0
230.5321044921875	156.0
230.67112731933594	196.0
233.22337341308594	168.0
234.69985961914062	152.0
234.89808654785156	204.0
235.28564453125	156.0
235.43832397460938	148.0
236.37680053710938	144.0
238.056640625	236.0
238.4007110595703	168.0
239.151123046875	148.0
239.49905395507812	188.0
239.65924072265625	160.0
240.94580078125	160.0
241.51150512695312	176.0
241.65379333496094	148.0
243.47647094726562	232.0
244.6051025390625	184.0
244.63623046875	140.0
244.6922607421875	140.0
244.8853302001953	188.0
246.16571044921875	800.0
246.73574829101562	152.0
246.7920379638672	196.0
247.0328369140625	184.0
247.14129638671875	168.0
247.166259765625	152.0
247.7841796875	156.0
248.9510040283203	176.0
249.1049041748047	188.0
249.8468017578125	148.0
250.0009765625	160.0
250.9995574951172	204.0
251.2581787109375	216.0
251.43173217773438	188.0
253.8010711669922	248.0
254.0230712890625	176.0
254.1245880126953	176.0
256.16558837890625	168.0
256.4332580566406	148.0
256.567138671875	168.0
256.74249267578125	164.0
256.9211120605469	188.0
257.0870361328125	148.0
257.109375	156.0
257.66497802734375	156.0
258.6531066894531	144.0
258.7811584472656	140.0
259.5918273925781	140.0
260.3427429199219	172.0
261.1236877441406	140.0
261.39068603515625	144.0
261.6876220703125	124.0
261.8381652832031	160.0
262.1236877441406	152.0
262.35369873046875	168.0
262.6207275390625	124.0
262.7605285644531	112.0
262.7955627441406	144.0
262.8374938964844	152.0
262.96893310546875	164.0
263.0697937011719	160.0
263.12347412109375	244.0
263.1881103515625	148.0
263.2409973144531	140.0
263.3206481933594	152.0
263.3428649902344	232.0
263.3800048828125	192.0
263.4149169921875	120.0
263.4795227050781	160.0
263.5079345703125	152.0
263.5581970214844	216.0
263.60504150390625	160.0
263.70648193359375	400.0
263.7327575683594	296.0
263.7757568359375	164.0
263.83935546875	132.0
263.8760986328125	176.0
263.89825439453125	360.0
263.92279052734375	164.0
263.9545593261719	124.0
263.9969177246094	276.0
264.0293273925781	348.0
264.07611083984375	448.0
264.1392517089844	580.0
264.1787109375	222884.0
264.258056640625	140.0
264.28924560546875	244.0
264.3511962890625	108.0
264.3908386230469	136.0
264.4413757324219	260.0
264.4731140136719	428.0
264.4967041015625	204.0
264.541015625	184.0
264.58660888671875	156.0
264.623291015625	264.0
264.6645202636719	120.0
264.7091979980469	6704.0
264.7517395019531	328.0
264.78662109375	420.0
264.92169189453125	180.0
264.94342041015625	168.0
265.06329345703125	148.0
265.1798095703125	54104.0
265.3007507324219	156.0
265.3403625488281	116.0
265.4046936035156	124.0
265.5379333496094	156.0
265.5986328125	116.0
265.6830139160156	164.0
265.71624755859375	132.0
265.9678649902344	176.0
266.0448913574219	148.0
266.1819763183594	4484.0
266.2671203613281	108.0
266.3893737792969	104.0
266.48992919921875	132.0
266.6141357421875	148.0
266.7099609375	260.0
266.8238220214844	120.0
266.87432861328125	112.0
266.9957580566406	144.0
267.0584411621094	212.0
267.1181335449219	312.0
267.18096923828125	472.0
267.2613220214844	112.0
267.36572265625	200.0
267.45843505859375	116.0
267.6775207519531	100.0
267.8723449707031	112.0
268.16217041015625	176.0
274.22735595703125	100.0
275.9457702636719	148.0
276.4167175292969	96.0
277.1028137207031	108.0
285.24041748046875	140.0
291.05133056640625	172.0
333.253173828125	152.0
356.10308837890625	172.0
455.4825134277344	180.0
784.5438232421875	96.0
887.2615356445312	148.0
917.4649047851562	144.0
937.8020629882812	140.0
956.8101196289062	164.0
959.1694946289062	168.0
972.1017456054688	180.0
1019.6635131835938	160.0
1058.249755859375	228.0
1061.0421142578125	188.0
1065.1759033203125	156.0
1075.33984375	172.0
1091.5670166015625	156.0
1095.6082763671875	248.0
1100.079345703125	204.0
1118.4542236328125	228.0
1121.9248046875	148.0
1161.0797119140625	172.0
1205.911865234375	172.0
1241.7899169921875	164.0
1244.7864990234375	236.0
1271.27978515625	200.0
1285.6478271484375	148.0
1300.68505859375	148.0
1301.4747314453125	152.0
1302.7674560546875	212.0
1312.0870361328125	180.0
1319.3062744140625	164.0
1327.5386962890625	188.0
1329.395751953125	180.0
1345.014404296875	152.0
1348.125732421875	184.0
1349.2806396484375	164.0
1352.94580078125	168.0
1363.8831787109375	192.0
1367.8404541015625	200.0
1382.65380859375	144.0
1384.371337890625	180.0
1422.7637939453125	156.0
1424.7012939453125	288.0
1429.844482421875	196.0
1435.65283203125	140.0
1446.237548828125	160.0
1452.2059326171875	160.0
1463.3026123046875	276.0
1466.967041015625	144.0
1468.2784423828125	148.0
1490.15576171875	144.0
1492.084716796875	144.0
1502.628173828125	184.0
1513.3326416015625	144.0
1522.490478515625	264.0
1525.4739990234375	160.0
1527.41796875	168.0
1535.3389892578125	164.0
1538.4757080078125	184.0
1541.9749755859375	192.0
1555.0858154296875	160.0
1555.1722412109375	168.0
1560.1759033203125	172.0
1560.5596923828125	128.0
1572.4560546875	184.0
1576.1597900390625	168.0
1592.5823974609375	172.0
1605.826416015625	152.0
1615.5474853515625	164.0
1617.3399658203125	172.0
1626.5257568359375	220.0
1632.1092529296875	156.0
1633.8544921875	180.0
1636.905029296875	156.0
1637.396240234375	140.0
1640.78857421875	156.0
1643.5308837890625	140.0
1645.621337890625	192.0
1649.725341796875	188.0
1651.8521728515625	152.0
1652.4912109375	192.0
1653.0009765625	160.0
1654.7412109375	188.0
1659.0430908203125	188.0
1663.39111328125	144.0
1664.1461181640625	228.0
1664.6658935546875	168.0
1665.6241455078125	152.0
1668.7611083984375	204.0
1680.86474609375	192.0
1689.378173828125	184.0
1701.104736328125	164.0
1707.4478759765625	148.0
1719.50927734375	160.0
1721.2015380859375	212.0
1721.4237060546875	168.0
1722.31640625	144.0
1726.49853515625	180.0
1727.797119140625	184.0
1732.1845703125	212.0
1733.1456298828125	152.0
1740.2869873046875	188.0
1752.263671875	156.0
1754.1470947265625	164.0
1760.2542724609375	160.0
1762.83544921875	144.0
1762.90234375	156.0
1769.0162353515625	204.0
1769.141845703125	152.0
1769.8116455078125	180.0
1776.1556396484375	152.0
1780.1337890625	180.0
1782.2841796875	148.0
1797.803466796875	164.0
1799.9307861328125	148.0
1810.5350341796875	184.0
1812.89013671875	160.0
1813.3223876953125	144.0
1814.4327392578125	204.0
1819.090087890625	152.0
1823.9573974609375	200.0
1825.887451171875	188.0
1827.239990234375	276.0
1829.929443359375	148.0
1830.32958984375	200.0
1830.4998779296875	176.0
1835.203369140625	148.0
1836.380126953125	144.0
1838.7008056640625	212.0
1840.7239990234375	172.0
1844.0643310546875	192.0
1847.1168212890625	192.0
1851.0537109375	160.0
1852.141357421875	140.0
1853.1522216796875	208.0
1859.6121826171875	128.0
1860.81982421875	232.0
1870.861328125	176.0
1871.1109619140625	216.0
1873.513671875	192.0
1879.229736328125	176.0
1879.343994140625	156.0
1883.2869873046875	160.0
1883.7275390625	196.0
1889.55419921875	148.0
1892.9124755859375	208.0
1894.263671875	292.0
1895.23388671875	196.0
1897.03662109375	200.0
1900.92919921875	164.0
1903.100830078125	148.0
1905.3330078125	224.0
1908.114013671875	152.0
1909.0096435546875	144.0
1912.9161376953125	184.0
1916.4781494140625	200.0
1926.1744384765625	168.0
1926.4150390625	176.0
1928.6607666015625	160.0
1928.9754638671875	220.0
1935.80859375	404.0
1945.7691650390625	144.0
1949.071533203125	156.0
1950.0821533203125	144.0
1953.0780029296875	180.0
1957.3839111328125	144.0
1958.3438720703125	204.0
1960.0	144.0
1962.22998046875	204.0
1964.725830078125	172.0
1965.3963623046875	240.0
1967.052490234375	160.0
1968.556396484375	144.0
1975.229248046875	152.0
1977.53857421875	260.0
1977.9368896484375	144.0
1981.0538330078125	148.0
1982.4537353515625	140.0
1984.0491943359375	160.0
1986.922607421875	164.0
1991.8316650390625	152.0
1992.3114013671875	200.0
1997.6629638671875	156.0
1999.3624267578125	192.0
2000.3148193359375	156.0
2001.39208984375	140.0
2002.8436279296875	172.0
2003.146484375	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079227
PEPMASS=173.104126
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=SB 205607 [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c5cccc(O)c5
INCHI=InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1
INCHIAUX=LEPBHAAYNPPRRA-WMZHIEFXSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079227
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079227
SCANS=987
44.94767379760742	152.0
45.12398147583008	156.0
45.61330032348633	164.0
45.91625213623047	184.0
46.62703323364258	192.0
48.77823257446289	192.0
49.55276870727539	168.0
52.178619384765625	144.0
52.43339920043945	208.0
53.633506774902344	160.0
54.70136260986328	148.0
55.11283493041992	160.0
58.38099670410156	176.0
58.56667709350586	208.0
61.30460739135742	160.0
63.42485427856445	232.0
63.71684265136719	208.0
68.99635314941406	144.0
69.80548858642578	164.0
71.24794006347656	236.0
71.91983795166016	200.0
72.26457977294922	180.0
73.0755844116211	172.0
73.43331146240234	208.0
73.94586944580078	140.0
74.78343963623047	216.0
76.79680633544922	148.0
76.93290710449219	144.0
77.88902282714844	144.0
77.99797058105469	156.0
78.3516845703125	188.0
78.9659652709961	156.0
79.65045928955078	156.0
80.51217651367188	236.0
82.12928771972656	252.0
82.94477844238281	148.0
84.82231140136719	176.0
85.24627685546875	156.0
86.01058959960938	160.0
86.5800552368164	140.0
87.99137878417969	152.0
89.83241271972656	160.0
90.54231262207031	184.0
92.19824981689453	192.0
92.64024353027344	164.0
93.06600189208984	168.0
95.04834747314453	212.0
95.23743438720703	140.0
96.42906951904297	192.0
96.5431900024414	284.0
96.56005859375	200.0
97.04696655273438	372.0
97.0653076171875	176.0
97.65052795410156	172.0
97.84730529785156	164.0
98.18228149414062	164.0
98.59093475341797	172.0
99.50209045410156	220.0
100.72083282470703	152.0
101.36103057861328	140.0
102.26273345947266	156.0
102.63138580322266	144.0
103.05374908447266	216.0
103.56816864013672	168.0
104.05976104736328	208.0
105.07262420654297	208.0
106.97106170654297	196.0
107.04792022705078	1168.0
108.05388641357422	272.0
108.54413604736328	208.0
110.05394744873047	168.0
111.12348175048828	156.0
111.31868743896484	156.0
111.56240844726562	240.0
112.06423950195312	340.0
113.03669738769531	196.0
114.35458374023438	152.0
114.433349609375	180.0
115.05386352539062	156.0
115.55230712890625	172.0
115.59022521972656	212.0
116.0700454711914	232.0
117.05887603759766	616.0
118.06590270996094	516.0
118.5728759765625	212.0
118.71813201904297	224.0
119.04832458496094	152.0
119.07392120361328	180.0
121.06307220458984	272.0
121.22947692871094	140.0
121.55066680908203	652.0
122.056884765625	436.0
122.17361450195312	160.0
122.55728149414062	308.0
122.7330322265625	176.0
124.06500244140625	324.0
124.1069107055664	224.0
124.56741333007812	192.0
125.07344055175781	1552.0
126.08040618896484	644.0
126.41829681396484	164.0
126.5794677734375	356.0
127.01649475097656	148.0
127.04838562011719	500.0
127.08173370361328	200.0
127.43405151367188	176.0
127.54915618896484	356.0
128.06198120117188	1440.0
128.55856323242188	608.0
129.07119750976562	900.0
129.55250549316406	244.0
130.06715393066406	588.0
130.57620239257812	212.0
130.61032104492188	140.0
131.04966735839844	332.0
131.07931518554688	164.0
131.93292236328125	140.0
132.0602569580078	148.0
133.06375122070312	392.0
133.09910583496094	176.0
133.55088806152344	1232.0
134.05422973632812	1168.0
134.56036376953125	780.0
134.9423828125	180.0
135.0582733154297	352.0
135.08346557617188	156.0
135.544189453125	152.0
135.60906982421875	164.0
136.0512237548828	296.0
136.56100463867188	168.0
136.57960510253906	160.0
137.62364196777344	140.0
138.57557678222656	172.0
139.03518676757812	180.0
139.05709838867188	140.0
139.99903869628906	168.0
140.0577850341797	616.0
140.0885467529297	180.0
140.56004333496094	528.0
141.0645751953125	348.0
141.09149169921875	160.0
141.5197296142578	184.0
141.5614776611328	400.0
142.0634765625	340.0
142.55764770507812	600.0
143.07264709472656	292.0
143.5650634765625	564.0
144.06712341308594	480.0
145.0599822998047	164.0
145.08953857421875	416.0
145.56141662597656	156.0
145.71994018554688	140.0
145.84490966796875	244.0
146.0717010498047	468.0
146.54037475585938	164.0
146.55723571777344	232.0
147.04676818847656	152.0
147.08395385742188	192.0
147.5298614501953	192.0
147.5637969970703	240.0
148.04754638671875	172.0
148.0715789794922	236.0
149.0625762939453	368.0
149.10296630859375	212.0
149.56021118164062	144.0
149.57968139648438	228.0
149.6461639404297	180.0
150.02328491210938	192.0
150.0478057861328	168.0
150.0658721923828	364.0
150.84324645996094	168.0
151.14405822753906	176.0
151.5569610595703	184.0
152.06378173828125	200.0
152.0875701904297	168.0
153.06735229492188	216.0
154.06854248046875	1092.0
154.54208374023438	184.0
154.56187438964844	188.0
155.0712890625	308.0
155.4911651611328	172.0
155.5854949951172	176.0
155.65501403808594	196.0
156.0277099609375	168.0
156.04510498046875	144.0
156.08087158203125	8456.0
156.57760620117188	152.0
156.78414916992188	200.0
156.91151428222656	168.0
156.9638671875	192.0
157.08668518066406	2584.0
157.58236694335938	176.0
158.00433349609375	216.0
158.09072875976562	1088.0
159.08226013183594	484.0
159.6659393310547	216.0
160.95364379882812	144.0
161.7930450439453	164.0
163.05369567871094	192.0
163.85125732421875	184.0
165.07984924316406	144.0
166.06202697753906	232.0
166.3640594482422	168.0
167.07383728027344	1336.0
167.9775390625	164.0
168.07986450195312	2112.0
169.08419799804688	468.0
170.09632873535156	136.0
170.36949157714844	208.0
170.7203826904297	140.0
170.87384033203125	168.0
172.09202575683594	744.0
172.27621459960938	124.0
172.3626251220703	200.0
172.38438415527344	172.0
172.44546508789062	144.0
172.5417022705078	148.0
172.5876007080078	284.0
172.61343383789062	224.0
172.67196655273438	120.0
172.71971130371094	212.0
172.7959747314453	136.0
172.81297302246094	136.0
172.83544921875	184.0
172.86956787109375	168.0
172.9430389404297	184.0
172.95599365234375	172.0
172.96128845214844	180.0
173.00790405273438	224.0
173.0323944091797	168.0
173.06646728515625	156.0
173.10311889648438	165624.0
173.1782684326172	360.0
173.29556274414062	96.0
173.31553649902344	344.0
173.37513732910156	196.0
173.41140747070312	132.0
173.4312286376953	136.0
173.4611053466797	284.0
173.50677490234375	204.0
173.5323944091797	3940.0
173.56668090820312	304.0
173.60366821289062	61368.0
173.69772338867188	208.0
173.76829528808594	128.0
173.8051300048828	104.0
173.8236083984375	284.0
173.8680419921875	124.0
173.93431091308594	256.0
173.96157836914062	152.0
174.02391052246094	116.0
174.10501098632812	6804.0
174.15550231933594	176.0
174.25514221191406	276.0
174.4110107421875	104.0
174.43338012695312	224.0
174.52207946777344	152.0
174.56875610351562	136.0
174.60719299316406	1352.0
174.68089294433594	260.0
174.72442626953125	144.0
174.81129455566406	124.0
174.8647918701172	144.0
174.94664001464844	232.0
174.9738311767578	140.0
175.0503387451172	116.0
175.0980224609375	160.0
175.1468963623047	260.0
175.18869018554688	144.0
175.2704620361328	212.0
175.292236328125	280.0
175.33221435546875	184.0
175.37545776367188	176.0
175.42098999023438	136.0
175.45201110839844	204.0
175.55572509765625	120.0
175.59359741210938	132.0
175.66500854492188	112.0
175.70596313476562	168.0
175.82809448242188	156.0
175.8916473388672	100.0
176.00567626953125	96.0
176.0877685546875	148.0
176.67721557617188	144.0
177.10118103027344	100.0
178.1315460205078	164.0
179.0712890625	324.0
180.0809326171875	4836.0
180.41995239257812	100.0
181.08682250976562	1192.0
181.1737060546875	144.0
182.04432678222656	128.0
182.09759521484375	2484.0
182.39431762695312	128.0
183.10235595703125	368.0
183.6359405517578	152.0
184.10415649414062	116.0
184.70013427734375	172.0
186.48423767089844	140.0
188.0934600830078	144.0
188.10354614257812	120.0
188.17315673828125	308.0
190.0800323486328	136.0
191.07235717773438	328.0
191.49395751953125	152.0
192.0795440673828	448.0
192.97857666015625	184.0
193.08815002441406	1468.0
193.6153564453125	488.0
194.09649658203125	3804.0
195.10122680664062	1084.0
196.11453247070312	480.0
197.10342407226562	196.0
197.80259704589844	144.0
198.52545166015625	172.0
202.0802459716797	140.0
204.08285522460938	356.0
205.0867462158203	124.0
205.53530883789062	152.0
206.0973663330078	2232.0
207.10037231445312	544.0
208.11158752441406	3268.0
208.78378295898438	140.0
209.11668395996094	936.0
210.72903442382812	128.0
213.15469360351562	152.0
216.04991149902344	164.0
216.07659912109375	160.0
217.08944702148438	148.0
218.0936737060547	284.0
219.10121154785156	264.0
220.11160278320312	636.0
221.11769104003906	228.0
226.0795135498047	152.0
227.07862854003906	172.0
228.0861053466797	252.0
230.09523010253906	780.0
231.01246643066406	148.0
231.10403442382812	240.0
231.15769958496094	140.0
232.11099243164062	164.0
233.08706665039062	316.0
234.13137817382812	224.0
235.1272735595703	136.0
241.083984375	244.0
241.28228759765625	140.0
242.09353637695312	128.0
243.1071319580078	132.0
243.97634887695312	160.0
244.1107940673828	372.0
245.08273315429688	112.0
246.09027099609375	336.0
246.12615966796875	248.0
247.09161376953125	132.0
247.12753295898438	324.0
248.099853515625	184.0
249.13375854492188	296.0
252.07872009277344	212.0
254.09527587890625	388.0
254.35903930664062	220.0
255.10726928710938	348.0
256.1076354980469	424.0
257.11248779296875	116.0
258.092041015625	172.0
258.132080078125	188.0
259.09271240234375	728.0
259.12835693359375	256.0
259.97637939453125	180.0
260.10797119140625	832.0
261.0846862792969	232.0
262.11480712890625	164.0
263.1178894042969	180.0
263.8932800292969	140.0
265.0909118652344	164.0
265.1589660644531	208.0
267.0933532714844	124.0
268.1110534667969	444.0
269.1239929199219	104.0
270.0889892578125	352.0
270.12799072265625	244.0
271.09454345703125	232.0
271.1311950683594	108.0
272.10693359375	4176.0
273.1091613769531	1312.0
273.9048767089844	128.0
274.05413818359375	144.0
274.12200927734375	2468.0
275.13055419921875	788.0
276.1394958496094	304.0
280.10687255859375	268.0
282.12738037109375	148.0
283.104248046875	136.0
284.10711669921875	504.0
284.14947509765625	320.0
284.2494812011719	96.0
285.1147155761719	444.0
286.1224670410156	4100.0
286.41094970703125	208.0
286.8860778808594	184.0
287.1279602050781	1764.0
288.13580322265625	696.0
289.1383972167969	416.0
298.12530517578125	284.0
298.37286376953125	180.0
300.1378479003906	880.0
301.1390686035156	344.0
302.1542053222656	2616.0
303.1591796875	688.0
304.0689392089844	140.0
304.1614074707031	156.0
304.6939392089844	152.0
310.1131896972656	140.0
314.1515808105469	828.0
315.16937255859375	160.0
345.1875	152.0
658.4942626953125	144.0
1487.465576171875	196.0
1504.9644775390625	164.0
1528.668212890625	152.0
1562.336181640625	156.0
1565.02783203125	220.0
1672.0203857421875	140.0
1763.392578125	268.0
1769.867431640625	236.0
1846.5836181640625	212.0
1855.1890869140625	180.0
1858.010498046875	164.0
1877.8983154296875	160.0
1879.5977783203125	176.0
1903.7578125	164.0
1917.72998046875	140.0
1925.09326171875	148.0
1927.7138671875	264.0
1934.2646484375	168.0
1940.35302734375	236.0
1945.3623046875	200.0
1953.3411865234375	164.0
1958.302978515625	216.0
1997.15283203125	248.0
2002.065673828125	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079228
PEPMASS=345.200623
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=SB 205607 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c5cccc(O)c5
INCHI=InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1
INCHIAUX=LEPBHAAYNPPRRA-WMZHIEFXSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079228
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079228
SCANS=990
53.346744537353516	200.0
82.07518768310547	196.0
105.85417175292969	140.0
107.05136108398438	140.0
109.08103942871094	212.0
133.0577850341797	176.0
147.07090759277344	144.0
156.08168029785156	396.0
157.091064453125	152.0
158.09693908691406	172.0
158.32579040527344	148.0
162.0919189453125	160.0
168.07958984375	160.0
168.0988006591797	188.0
169.0859832763672	360.0
170.0964813232422	580.0
173.08456420898438	180.0
180.0764617919922	176.0
181.0816650390625	144.0
182.1051025390625	276.0
188.10877990722656	324.0
195.0997772216797	152.0
198.0910186767578	236.0
199.08950805664062	164.0
199.12466430664062	340.0
200.10459899902344	312.0
200.1271209716797	140.0
206.1050567626953	112.0
207.1048126220703	176.0
208.11253356933594	208.0
210.10299682617188	176.0
211.1232452392578	172.0
212.1333465576172	172.0
222.64073181152344	160.0
225.11244201660156	204.0
226.12246704101562	136.0
227.12832641601562	332.0
243.14659118652344	212.0
244.15127563476562	396.0
245.0001983642578	144.0
245.1573944091797	116.0
265.1299133300781	120.0
266.1711120605469	140.0
272.1098327636719	128.0
274.1293029785156	192.0
284.1150207519531	208.0
286.1182556152344	444.0
288.2192077636719	144.0
300.14093017578125	148.0
300.387451171875	152.0
302.1531677246094	1152.0
303.15618896484375	316.0
310.4181823730469	196.0
311.1690673828125	164.0
314.142822265625	156.0
315.1474609375	296.0
335.271240234375	140.0
343.06378173828125	148.0
344.2481384277344	156.0
345.0499267578125	144.0
345.1959533691406	10448.0
345.2840881347656	136.0
346.2000427246094	1980.0
347.2007751464844	320.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079229
PEPMASS=288.119537
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=R(+)-SCH-23390 hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c3ccccc3
INCHI=InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
INCHIAUX=GOTMKOSCLKVOGG-OAHLLOKOSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079229
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079229
SCANS=1076
45.0772705078125	172.0
46.1283073425293	180.0
53.17978286743164	140.0
59.65320587158203	140.0
63.52326583862305	168.0
64.58094024658203	144.0
65.57801818847656	152.0
65.8781509399414	176.0
66.13363647460938	172.0
67.8030776977539	200.0
68.34662628173828	188.0
68.62828826904297	188.0
68.71900177001953	180.0
69.4054183959961	228.0
70.7148208618164	196.0
76.68359375	168.0
82.04466247558594	176.0
83.3641586303711	188.0
86.33405303955078	148.0
86.68578338623047	196.0
90.0363998413086	240.0
90.48265075683594	176.0
91.05452728271484	692.0
91.0833740234375	232.0
93.6064682006836	156.0
93.9263916015625	244.0
96.38426971435547	176.0
97.05565643310547	176.0
98.15087890625	204.0
103.05773162841797	316.0
104.06812286376953	212.0
105.07012176513672	1312.0
106.07560729980469	144.0
110.62068939208984	188.0
111.42597961425781	140.0
112.09086608886719	184.0
112.64363098144531	168.0
112.95012664794922	152.0
115.05707550048828	416.0
116.0650405883789	172.0
117.07160186767578	168.0
119.07881164550781	184.0
120.05731964111328	188.0
120.0819091796875	140.0
121.06079864501953	184.0
122.92071533203125	188.0
125.0181655883789	104.0
127.01445007324219	164.0
128.06292724609375	444.0
128.65040588378906	220.0
129.06991577148438	1604.0
130.07313537597656	180.0
131.04989624023438	140.0
132.05552673339844	316.0
132.08058166503906	156.0
134.0950469970703	920.0
137.01031494140625	300.0
139.9709930419922	260.0
140.24664306640625	184.0
141.01173400878906	1484.0
142.01495361328125	140.0
142.07452392578125	140.0
143.0069580078125	668.0
143.04965209960938	548.0
144.05816650390625	1768.0
145.06455993652344	508.0
146.06080627441406	192.0
146.07838439941406	160.0
146.81781005859375	148.0
147.07472229003906	412.0
147.58570861816406	164.0
147.92681884765625	152.0
148.07395935058594	136.0
149.01084899902344	192.0
149.64320373535156	184.0
151.5360565185547	152.0
153.00961303710938	504.0
153.16477966308594	160.0
154.01576232910156	140.0
154.9285430908203	152.0
155.02565002441406	1456.0
156.03115844726562	228.0
156.77716064453125	140.0
157.02435302734375	432.0
158.03115844726562	392.0
159.06773376464844	176.0
160.0751953125	408.0
161.08181762695312	320.0
162.0877227783203	280.0
165.0125732421875	196.0
165.070556640625	296.0
165.64117431640625	140.0
166.07435607910156	296.0
166.207763671875	152.0
167.0256805419922	236.0
167.0873260498047	240.0
167.11085510253906	120.0
169.02261352539062	600.0
173.55386352539062	212.0
173.90277099609375	140.0
174.09185791015625	152.0
174.1154327392578	188.0
174.7068328857422	152.0
176.10903930664062	164.0
177.06924438476562	172.0
177.7691192626953	152.0
178.07760620117188	152.0
179.0251007080078	1824.0
179.08786010742188	128.0
179.11441040039062	180.0
180.02806091308594	400.0
180.08529663085938	148.0
180.67605590820312	184.0
181.0232391357422	680.0
181.1000213623047	216.0
182.0384521484375	536.0
182.5831756591797	252.0
183.04710388183594	132.0
184.0536346435547	380.0
185.04013061523438	144.0
185.9060516357422	168.0
186.04991149902344	180.0
186.3785400390625	208.0
188.5859375	152.0
189.01675415039062	240.0
189.0618133544922	160.0
189.51637268066406	160.0
190.07847595214844	152.0
192.0951385498047	140.0
193.02587890625	172.0
193.0987091064453	456.0
194.07260131835938	124.0
194.1145477294922	132.0
195.04405212402344	268.0
195.08628845214844	212.0
196.0518798828125	2012.0
196.08970642089844	248.0
196.8048553466797	168.0
197.05946350097656	712.0
197.49790954589844	192.0
198.05029296875	156.0
199.05612182617188	140.0
199.09263610839844	252.0
201.026611328125	144.0
201.0604705810547	192.0
203.08897399902344	496.0
204.08297729492188	152.0
204.97390747070312	152.0
205.0764923095703	156.0
207.08047485351562	1124.0
207.1509552001953	140.0
207.448974609375	160.0
208.0859375	168.0
209.0977783203125	284.0
210.06846618652344	388.0
210.1036834716797	148.0
211.1084747314453	320.0
211.4874725341797	188.0
212.06631469726562	136.0
213.65512084960938	188.0
214.5054473876953	144.0
215.03045654296875	188.0
216.02304077148438	132.0
218.93553161621094	172.0
221.09483337402344	1124.0
221.52854919433594	220.0
222.07273864746094	240.0
222.10397338867188	2584.0
223.1077880859375	372.0
223.3484344482422	152.0
224.12026977539062	272.0
224.14218139648438	152.0
225.13975524902344	148.0
227.9105224609375	192.0
228.03176879882812	384.0
229.0400848388672	120.0
229.91604614257812	140.0
230.0309600830078	252.0
230.05410766601562	236.0
231.0547332763672	320.0
231.0919189453125	140.0
234.07215881347656	220.0
235.58856201171875	168.0
236.58798217773438	148.0
238.11192321777344	152.0
238.15798950195312	152.0
240.02294921875	256.0
240.96743774414062	216.0
242.0534210205078	676.0
242.10572814941406	144.0
244.02024841308594	152.0
245.07791137695312	252.0
245.150146484375	188.0
246.29202270507812	172.0
246.5607147216797	148.0
247.58998107910156	164.0
248.08816528320312	184.0
248.12892150878906	148.0
248.7500762939453	164.0
249.47572326660156	148.0
250.12464904785156	192.0
250.6339111328125	188.0
251.2266387939453	176.0
251.9021759033203	168.0
252.28541564941406	132.0
253.14996337890625	108.0
255.0516357421875	152.0
256.0595397949219	200.0
257.0732727050781	1024.0
257.8183288574219	168.0
257.891845703125	192.0
258.0816955566406	340.0
259.07318115234375	692.0
259.1654968261719	172.0
260.07305908203125	156.0
261.0850830078125	284.0
262.8826599121094	144.0
266.580810546875	156.0
267.7687072753906	120.0
269.1313171386719	260.0
271.12225341796875	116.0
272.41619873046875	204.0
277.1240234375	212.0
278.13470458984375	2024.0
278.3191833496094	240.0
278.63531494140625	728.0
278.76983642578125	144.0
279.1456298828125	416.0
279.4082336425781	168.0
279.66778564453125	188.0
280.0140380859375	160.0
280.0986022949219	136.0
280.4305114746094	156.0
282.126220703125	204.0
286.0881042480469	152.0
286.153076171875	168.0
286.3878173828125	248.0
286.6910095214844	220.0
287.1402587890625	192.0
287.49700927734375	152.0
287.6284484863281	360.0
287.7016296386719	180.0
287.8282470703125	156.0
287.8568420410156	176.0
287.8973693847656	204.0
287.9485778808594	116.0
287.98992919921875	164.0
288.04571533203125	140.0
288.1160583496094	81868.0
288.2027587890625	144.0
288.2547607421875	256.0
288.43487548828125	152.0
288.5007629394531	176.0
288.5323181152344	156.0
288.6695251464844	160.0
288.7918701171875	208.0
288.9411315917969	112.0
289.0459899902344	136.0
289.11834716796875	12564.0
289.3492126464844	140.0
289.4337463378906	124.0
289.62884521484375	128.0
289.7789001464844	128.0
290.113037109375	23252.0
290.3307189941406	156.0
290.6346130371094	312.0
290.7337646484375	100.0
290.95953369140625	140.0
291.0411682128906	144.0
291.11566162109375	2492.0
291.22552490234375	136.0
292.0280456542969	108.0
292.1593322753906	156.0
292.2388610839844	184.0
292.2789001464844	112.0
299.1277770996094	116.0
302.1808776855469	188.0
303.1434631347656	176.0
306.1095275878906	152.0
309.4130859375	160.0
317.1382751464844	216.0
318.61090087890625	188.0
327.11993408203125	216.0
333.1286926269531	140.0
359.0932922363281	112.0
360.1009216308594	140.0
361.1172790527344	104.0
362.1171875	216.0
472.18780517578125	140.0
557.2684936523438	584.0
558.2838134765625	136.0
1114.4774169921875	172.0
1227.1259765625	160.0
1301.6326904296875	188.0
1495.93896484375	140.0
1558.9891357421875	148.0
1626.4534912109375	252.0
1643.68408203125	140.0
1667.5823974609375	188.0
1677.610595703125	240.0
1755.606201171875	160.0
1763.2198486328125	140.0
1767.2420654296875	156.0
1778.8828125	192.0
1787.75830078125	224.0
1846.9200439453125	200.0
1855.46630859375	164.0
1884.4791259765625	180.0
1944.654296875	152.0
1964.0289306640625	148.0
1981.5677490234375	156.0
1984.5013427734375	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079230
PEPMASS=478.22876
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=34.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=LACIDIPINE [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCO/C(=C\1/C(C(=C(C)N=C1C)C(=O)OCC)c2ccccc2/C=C/C(=O)OC(C)(C)C)/O
INCHI=InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,29H,8-9H2,1-7H3/b15-14+,24-21+
INCHIAUX=HRWNZPORSDJVBT-ANJOCGSNSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079230
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079230
SCANS=2912
66.3521728515625	140.0
75.01074981689453	200.0
77.3646469116211	188.0
78.09813690185547	140.0
84.98561096191406	100.0
90.35375213623047	176.0
102.82698059082031	192.0
103.06729125976562	156.0
103.53660583496094	200.0
104.26492309570312	140.0
107.6761474609375	188.0
111.4698486328125	152.0
116.62383270263672	140.0
119.18257141113281	144.0
119.86798858642578	152.0
120.11434936523438	164.0
125.0212173461914	144.0
125.72989654541016	156.0
126.45848083496094	140.0
129.37124633789062	140.0
130.72853088378906	152.0
131.45089721679688	256.0
131.70660400390625	152.0
133.08294677734375	160.0
134.6950225830078	160.0
136.3888397216797	192.0
136.4237060546875	164.0
142.21270751953125	204.0
145.6621856689453	152.0
146.39573669433594	160.0
148.40374755859375	168.0
150.06192016601562	168.0
150.38148498535156	140.0
151.28590393066406	160.0
153.92649841308594	176.0
158.13040161132812	156.0
159.6909637451172	176.0
160.52706909179688	172.0
168.88922119140625	144.0
170.63963317871094	192.0
172.783447265625	164.0
173.28611755371094	148.0
174.30416870117188	160.0
176.00048828125	176.0
179.03675842285156	180.0
179.27542114257812	120.0
179.9967498779297	192.0
180.1383056640625	160.0
180.83392333984375	128.0
181.46791076660156	368.0
182.1768798828125	180.0
186.0684814453125	160.0
186.65536499023438	184.0
187.36573791503906	164.0
188.26585388183594	148.0
190.3717498779297	184.0
191.07264709472656	168.0
192.14434814453125	148.0
193.33248901367188	180.0
194.08872985839844	148.0
194.677001953125	248.0
196.06167602539062	260.0
197.9620361328125	148.0
198.05445861816406	152.0
198.52810668945312	200.0
199.9552459716797	160.0
200.61154174804688	196.0
201.15879821777344	140.0
203.2077178955078	144.0
204.1280059814453	156.0
205.01046752929688	140.0
205.52374267578125	172.0
205.8548583984375	184.0
206.4178009033203	156.0
206.90420532226562	152.0
207.1189727783203	232.0
207.77542114257812	156.0
208.59674072265625	164.0
209.56947326660156	144.0
210.48092651367188	168.0
210.68453979492188	160.0
214.31552124023438	176.0
217.0706329345703	192.0
217.99661254882812	172.0
218.13180541992188	180.0
219.3511199951172	124.0
220.11251831054688	172.0
220.84158325195312	140.0
221.0930633544922	208.0
222.3614959716797	152.0
223.07470703125	100.0
224.0898895263672	116.0
224.77197265625	164.0
224.96896362304688	140.0
225.0973358154297	312.0
226.0120086669922	144.0
226.2823486328125	112.0
227.5255584716797	148.0
230.09072875976562	320.0
231.09397888183594	156.0
231.47535705566406	140.0
231.5995330810547	192.0
231.654052734375	164.0
232.0449981689453	168.0
232.51820373535156	176.0
233.061767578125	160.0
234.0131072998047	112.0
235.6179962158203	144.0
236.26304626464844	156.0
238.1298065185547	152.0
239.07638549804688	152.0
239.51390075683594	164.0
240.10267639160156	852.0
240.55921936035156	140.0
241.10499572753906	208.0
241.2666473388672	224.0
242.10516357421875	148.0
243.86114501953125	172.0
245.0623321533203	196.0
246.52264404296875	144.0
246.8508758544922	144.0
248.14088439941406	156.0
249.0352325439453	164.0
252.12327575683594	244.0
252.41358947753906	164.0
253.055908203125	184.0
253.11822509765625	176.0
254.40011596679688	152.0
256.48046875	168.0
256.7086181640625	192.0
256.9380187988281	136.0
258.6877136230469	140.0
259.0591735839844	176.0
259.0901184082031	200.0
260.111083984375	140.0
260.9333801269531	176.0
262.076416015625	160.0
262.2306213378906	156.0
263.372802734375	244.0
264.02899169921875	120.0
264.102294921875	160.0
264.84771728515625	164.0
265.108642578125	152.0
266.35601806640625	144.0
266.6744384765625	156.0
268.12908935546875	752.0
269.1394348144531	248.0
269.3070373535156	212.0
270.1438293457031	152.0
270.69696044921875	148.0
270.89019775390625	212.0
271.0570983886719	324.0
271.6927490234375	100.0
272.0313720703125	144.0
272.0610046386719	140.0
272.23822021484375	140.0
272.52398681640625	144.0
273.2999267578125	204.0
273.3624572753906	172.0
273.635986328125	184.0
274.0833740234375	296.0
274.41650390625	180.0
274.7007751464844	156.0
275.08551025390625	96.0
275.1324157714844	148.0
275.5815734863281	148.0
276.3817138671875	172.0
277.16314697265625	176.0
277.5376892089844	144.0
278.04522705078125	156.0
279.0284423828125	236.0
279.57061767578125	196.0
280.0899963378906	292.0
280.1300354003906	712.0
280.1866149902344	200.0
280.2799072265625	396.0
280.3798828125	176.0
280.47320556640625	144.0
280.89666748046875	164.0
282.0252685546875	204.0
282.1117248535156	384.0
283.1185302734375	164.0
283.2063903808594	140.0
283.5146179199219	140.0
284.11297607421875	348.0
284.6282958984375	164.0
284.8365173339844	236.0
285.0582580566406	160.0
285.4212951660156	168.0
285.7946472167969	144.0
286.0816955566406	420.0
287.1746826171875	152.0
288.790283203125	220.0
288.82073974609375	176.0
289.0859069824219	196.0
290.0797119140625	148.0
290.1153259277344	656.0
290.4974670410156	212.0
291.1177673339844	328.0
291.2340393066406	152.0
292.0633850097656	164.0
292.1254577636719	244.0
292.4521789550781	120.0
292.5329895019531	240.0
293.10174560546875	172.0
293.1398010253906	180.0
294.52435302734375	156.0
296.3682861328125	156.0
297.4039306640625	152.0
297.5721435546875	184.0
298.687255859375	140.0
299.07440185546875	148.0
300.197509765625	180.0
300.7460632324219	148.0
302.0431823730469	124.0
302.1139221191406	640.0
302.87945556640625	144.0
303.1207275390625	588.0
303.964599609375	172.0
303.99505615234375	148.0
304.0374755859375	132.0
304.133544921875	284.0
304.836181640625	168.0
305.0884704589844	184.0
306.0536193847656	148.0
306.48553466796875	216.0
306.63885498046875	180.0
308.1323547363281	176.0
308.8804626464844	224.0
309.9832763671875	148.0
310.14324951171875	1204.0
310.63189697265625	164.0
311.0845642089844	152.0
311.1448669433594	744.0
312.14215087890625	336.0
312.33905029296875	140.0
312.5197448730469	132.0
314.0614318847656	144.0
315.1876220703125	152.0
315.9866638183594	228.0
316.2025146484375	152.0
318.1048889160156	192.0
319.61279296875	152.0
320.06121826171875	160.0
320.3782653808594	164.0
321.05548095703125	200.0
321.5679626464844	124.0
322.7159118652344	168.0
325.87713623046875	148.0
326.1178894042969	140.0
328.4222412109375	140.0
330.0837707519531	168.0
330.2575378417969	160.0
330.67315673828125	152.0
331.9701232910156	208.0
332.125244140625	4204.0
333.1273193359375	2208.0
333.19329833984375	200.0
333.2223815917969	252.0
334.0972900390625	124.0
334.24407958984375	152.0
334.6699523925781	160.0
334.7264404296875	132.0
335.1296081542969	160.0
335.3219909667969	152.0
335.5079040527344	152.0
335.9065246582031	152.0
336.1228942871094	272.0
336.2447204589844	152.0
336.5075378417969	152.0
340.0216369628906	188.0
340.3960876464844	176.0
340.62744140625	148.0
341.2264709472656	152.0
341.92535400390625	164.0
342.97503662109375	188.0
343.9709777832031	260.0
344.3106384277344	168.0
344.5075378417969	172.0
346.02874755859375	232.0
346.2448425292969	140.0
346.7857666015625	168.0
346.9481506347656	144.0
347.0527648925781	140.0
347.83917236328125	196.0
348.1199645996094	224.0
348.16961669921875	160.0
348.2586364746094	128.0
348.7454833984375	244.0
349.1209716796875	300.0
350.7852478027344	176.0
351.25677490234375	108.0
351.3073425292969	176.0
352.07623291015625	156.0
353.0553283691406	156.0
354.0732727050781	200.0
354.1263122558594	200.0
354.3017578125	140.0
355.1358642578125	156.0
356.14190673828125	340.0
356.2074279785156	152.0
357.094482421875	196.0
357.196044921875	188.0
357.3051452636719	160.0
357.4330749511719	148.0
357.54595947265625	148.0
357.9788818359375	200.0
358.11566162109375	292.0
359.1073913574219	152.0
360.411865234375	144.0
360.50634765625	156.0
361.5500793457031	180.0
361.9172668457031	184.0
363.1602478027344	308.0
364.04583740234375	276.0
364.45855712890625	192.0
365.05914306640625	268.0
366.8486328125	172.0
368.00457763671875	164.0
368.7915344238281	140.0
369.0589904785156	108.0
369.300048828125	148.0
370.869873046875	180.0
372.7849426269531	212.0
373.4884948730469	180.0
373.5962219238281	144.0
374.1271667480469	664.0
374.1773376464844	152.0
374.63641357421875	636.0
375.1484069824219	208.0
375.8822021484375	140.0
376.1134033203125	732.0
376.1781311035156	156.0
376.96600341796875	176.0
377.12188720703125	268.0
377.1592712402344	144.0
377.2017822265625	212.0
377.7934265136719	164.0
378.1706848144531	412.0
379.171875	240.0
379.31915283203125	168.0
380.5450439453125	164.0
381.1082458496094	196.0
381.6873779296875	220.0
381.92462158203125	148.0
383.064208984375	224.0
383.1352233886719	168.0
383.17999267578125	188.0
384.1669921875	308.0
384.4843444824219	216.0
384.6248474121094	180.0
385.03656005859375	180.0
387.1756896972656	120.0
387.7303466796875	160.0
387.9694519042969	148.0
388.1850891113281	148.0
388.2599792480469	128.0
390.83258056640625	160.0
392.07452392578125	136.0
392.7905578613281	144.0
393.39825439453125	156.0
394.12127685546875	256.0
394.21978759765625	152.0
394.42926025390625	196.0
394.70599365234375	184.0
395.13116455078125	112.0
395.7228698730469	176.0
396.03173828125	160.0
396.1269836425781	164.0
396.3526306152344	144.0
396.67364501953125	160.0
396.7212219238281	168.0
397.1404724121094	264.0
398.07415771484375	188.0
399.1170654296875	100.0
400.1059265136719	168.0
400.17864990234375	104.0
401.18585205078125	100.0
401.3330383300781	152.0
401.887451171875	148.0
402.1816711425781	140.0
403.28515625	164.0
404.14111328125	172.0
408.65875244140625	144.0
408.97265625	212.0
409.4517517089844	152.0
409.8102722167969	188.0
409.9404602050781	156.0
410.0858459472656	304.0
410.1890869140625	156.0
411.09197998046875	120.0
412.132568359375	120.0
412.205810546875	196.0
412.3525390625	176.0
412.388916015625	140.0
412.5384521484375	168.0
413.1976623535156	160.0
413.5415954589844	176.0
413.7035217285156	168.0
414.54193115234375	140.0
415.01617431640625	204.0
415.5704345703125	180.0
416.7806091308594	124.0
416.816162109375	200.0
416.87933349609375	148.0
416.9879150390625	156.0
417.0926513671875	132.0
417.2161560058594	124.0
417.3443908691406	300.0
417.8254699707031	356.0
417.9048767089844	112.0
418.0399169921875	128.0
418.112060546875	156.0
418.3453674316406	156.0
418.4159851074219	176.0
418.4559020996094	172.0
418.5684509277344	112.0
418.70941162109375	140.0
418.82403564453125	152.0
419.0684509277344	104.0
419.1482849121094	1044.0
419.2333068847656	132.0
419.3455505371094	208.0
419.3822326660156	188.0
419.4443054199219	108.0
419.6501770019531	1504.0
419.72491455078125	140.0
420.0516662597656	104.0
420.09619140625	100.0
420.1500244140625	636.0
420.2998046875	184.0
420.344482421875	152.0
420.46087646484375	128.0
420.5569152832031	248.0
420.6483154296875	272.0
420.7432861328125	156.0
420.8487854003906	176.0
420.88970947265625	108.0
421.05328369140625	104.0
421.13653564453125	200.0
421.2311096191406	120.0
421.32757568359375	96.0
421.4151916503906	136.0
421.45635986328125	96.0
421.5725402832031	144.0
421.6982116699219	248.0
421.7354736328125	272.0
421.8502197265625	196.0
421.85821533203125	340.0
421.8944396972656	136.0
421.95587158203125	212.0
421.98529052734375	308.0
422.0323181152344	268.0
422.0893249511719	364.0
422.1590881347656	206484.0
422.2657470703125	112.0
422.3107604980469	228.0
422.4295959472656	104.0
422.4888000488281	164.0
422.5368957519531	376.0
422.63812255859375	316.0
422.67706298828125	204.0
422.7544250488281	172.0
422.78509521484375	152.0
422.833251953125	5044.0
422.8904113769531	384.0
422.9708557128906	220.0
423.0479736328125	216.0
423.1617736816406	90332.0
423.4269714355469	252.0
423.5550842285156	272.0
423.6501159667969	124.0
423.6875	140.0
423.7398681640625	252.0
423.7721252441406	136.0
423.83447265625	472.0
423.87841796875	356.0
423.913330078125	168.0
424.0733337402344	96.0
424.1629638671875	15504.0
424.2830505371094	156.0
424.4032897949219	164.0
424.44696044921875	284.0
424.496337890625	160.0
424.519775390625	256.0
424.7918395996094	104.0
424.8359375	188.0
424.96954345703125	116.0
425.01116943359375	156.0
425.08843994140625	120.0
425.1669921875	1584.0
425.3028869628906	116.0
425.3327331542969	132.0
425.38409423828125	228.0
425.425048828125	116.0
425.4660949707031	204.0
425.4840087890625	120.0
425.5633239746094	340.0
425.62530517578125	344.0
425.6886901855469	196.0
425.7615051269531	276.0
425.802490234375	132.0
425.8451843261719	276.0
425.880859375	252.0
425.9139709472656	268.0
425.9559020996094	328.0
425.9966125488281	176.0
426.1119079589844	136.0
426.1585998535156	188.0
426.206298828125	104.0
426.6123352050781	144.0
426.658935546875	108.0
426.72393798828125	128.0
426.80181884765625	144.0
426.8669128417969	184.0
426.9022521972656	188.0
427.0503845214844	112.0
427.12890625	112.0
427.2665710449219	136.0
427.42822265625	244.0
427.6744384765625	136.0
427.78369140625	96.0
427.9364013671875	108.0
428.0807800292969	296.0
428.16259765625	168.0
428.4836120605469	148.0
428.8117980957031	108.0
429.3181457519531	120.0
430.022705078125	112.0
430.364013671875	108.0
430.7947082519531	132.0
431.07244873046875	120.0
434.54046630859375	160.0
435.0758361816406	180.0
436.54791259765625	148.0
438.12060546875	668.0
438.9267272949219	128.0
439.78375244140625	168.0
439.9423828125	148.0
440.1070556640625	164.0
440.1673278808594	464.0
442.16534423828125	116.0
447.06781005859375	164.0
450.29290771484375	196.0
451.1126403808594	148.0
453.5974426269531	184.0
455.6981201171875	152.0
456.1322937011719	236.0
457.0587158203125	160.0
457.1368103027344	140.0
460.13067626953125	160.0
462.0848693847656	152.0
462.41864013671875	244.0
464.3122863769531	152.0
464.642578125	140.0
466.7987365722656	144.0
470.396240234375	144.0
470.5846252441406	132.0
470.8065185546875	100.0
471.1199035644531	144.0
471.24560546875	152.0
471.3636779785156	152.0
471.5235595703125	192.0
471.8880615234375	112.0
472.0158996582031	96.0
472.7486267089844	116.0
472.81964111328125	112.0
472.9118957519531	152.0
473.09661865234375	108.0
474.13323974609375	236.0
475.1324462890625	252.0
475.8241271972656	244.0
476.08892822265625	104.0
476.12884521484375	168.0
476.51470947265625	116.0
476.8353576660156	176.0
476.9533386230469	120.0
477.0831298828125	368.0
477.1145324707031	108.0
477.1469421386719	196.0
477.22576904296875	184.0
477.26690673828125	116.0
477.3094482421875	124.0
477.355712890625	176.0
477.5169677734375	160.0
477.55084228515625	236.0
477.5997009277344	120.0
477.69482421875	268.0
477.7513122558594	212.0
477.79827880859375	120.0
477.8504638671875	228.0
477.9891052246094	112.0
478.0390319824219	260.0
478.1026611328125	332.0
478.1473693847656	248.0
478.2210388183594	157708.0
478.5099792480469	132.0
478.6105041503906	332.0
478.66412353515625	188.0
478.740234375	184.0
478.81964111328125	160.0
478.8928527832031	220.0
478.93927001953125	1756.0
479.0036315917969	184.0
479.0265808105469	188.0
479.1015319824219	244.0
479.1555480957031	164.0
479.22393798828125	66136.0
479.4267578125	248.0
479.5627136230469	108.0
479.6218566894531	240.0
479.7461853027344	160.0
479.8092041015625	104.0
479.93646240234375	116.0
479.9802551269531	152.0
480.0672607421875	112.0
480.22747802734375	8996.0
480.3386535644531	288.0
480.4242858886719	136.0
480.56329345703125	196.0
480.7239074707031	188.0
480.75048828125	244.0
480.79376220703125	100.0
480.8858337402344	140.0
481.1622009277344	160.0
481.2261657714844	1528.0
481.4599609375	100.0
481.59039306640625	144.0
481.639892578125	116.0
481.67108154296875	112.0
481.71807861328125	276.0
481.78985595703125	132.0
481.83770751953125	148.0
481.8830871582031	144.0
481.9889831542969	288.0
482.0334167480469	260.0
482.0991516113281	412.0
482.1549377441406	100.0
482.22802734375	128.0
482.3182067871094	112.0
482.3761291503906	184.0
482.4537658691406	244.0
482.73968505859375	160.0
482.9856872558594	128.0
483.16229248046875	148.0
483.53289794921875	124.0
486.12005615234375	104.0
491.42950439453125	108.0
492.2432556152344	108.0
496.22802734375	168.0
497.2477111816406	148.0
509.54052734375	168.0
514.7244873046875	96.0
524.136962890625	156.0
524.9027099609375	148.0
535.5073852539062	152.0
633.8310546875	152.0
638.8943481445312	100.0
707.4886474609375	140.0
738.9200439453125	104.0
818.0108032226562	160.0
927.6671142578125	140.0
1027.5379638671875	152.0
1043.845458984375	144.0
1048.3128662109375	156.0
1095.5859375	148.0
1840.079345703125	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079231
PEPMASS=456.244141
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=LACIDIPINE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCO/C(=C\1/C(C(=C(C)N=C1C)C(=O)OCC)c2ccccc2/C=C/C(=O)OC(C)(C)C)/O
INCHI=InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,29H,8-9H2,1-7H3/b15-14+,24-21+
INCHIAUX=HRWNZPORSDJVBT-ANJOCGSNSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079231
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079231
SCANS=2914
52.782711029052734	148.0
73.59537506103516	156.0
76.93285369873047	244.0
82.53194427490234	216.0
100.9745864868164	184.0
103.58724212646484	172.0
105.67601013183594	156.0
124.29900360107422	220.0
129.07260131835938	224.0
130.06942749023438	172.0
132.53933715820312	236.0
135.37960815429688	140.0
137.65390014648438	160.0
143.041748046875	156.0
144.050048828125	172.0
145.98423767089844	164.0
152.74105834960938	144.0
155.08181762695312	140.0
165.0725555419922	360.0
166.09706115722656	272.0
167.08409118652344	156.0
168.72372436523438	180.0
175.0591278076172	204.0
178.04672241210938	360.0
179.0474090576172	152.0
179.0867462158203	176.0
180.86563110351562	236.0
182.09629821777344	140.0
182.39723205566406	212.0
183.07254028320312	152.0
184.07618713378906	176.0
185.0626220703125	192.0
188.0829315185547	160.0
191.07684326171875	144.0
191.72247314453125	148.0
192.07920837402344	148.0
193.0568389892578	176.0
193.08351135253906	180.0
194.09231567382812	420.0
195.07626342773438	356.0
195.10458374023438	284.0
196.05532836914062	412.0
196.1123046875	128.0
197.11444091796875	308.0
199.0384979248047	156.0
199.07833862304688	108.0
201.05154418945312	144.0
201.09312438964844	152.0
207.0445098876953	176.0
208.04806518554688	180.0
208.11331176757812	336.0
209.11447143554688	164.0
209.140380859375	176.0
210.08840942382812	148.0
211.33070373535156	184.0
218.09359741210938	148.0
220.1103515625	324.0
221.09010314941406	172.0
222.05294799804688	140.0
222.0873260498047	440.0
222.12709045410156	144.0
223.09689331054688	152.0
224.07444763183594	144.0
224.13983154296875	152.0
225.0794219970703	148.0
227.08445739746094	172.0
227.10621643066406	240.0
227.2074432373047	180.0
227.36647033691406	140.0
229.06826782226562	188.0
234.08944702148438	468.0
235.0460968017578	180.0
235.09649658203125	456.0
236.10621643066406	1116.0
237.08056640625	192.0
237.10830688476562	240.0
238.09132385253906	304.0
238.12362670898438	292.0
239.07330322265625	364.0
239.09170532226562	212.0
239.7018280029297	164.0
240.0717315673828	192.0
240.10134887695312	2176.0
241.1015625	428.0
241.13064575195312	200.0
242.1121368408203	96.0
242.3839569091797	156.0
245.06690979003906	136.0
246.09886169433594	576.0
247.0572967529297	168.0
247.09170532226562	156.0
252.12149047851562	296.0
253.10487365722656	124.0
253.13189697265625	164.0
254.08509826660156	264.0
254.11563110351562	144.0
262.0876770019531	1208.0
263.0848083496094	252.0
264.1026306152344	1620.0
265.10107421875	332.0
265.1652526855469	180.0
266.0809631347656	320.0
266.11279296875	152.0
267.0946044921875	272.0
267.11981201171875	336.0
268.1326599121094	2440.0
269.13677978515625	144.0
270.13409423828125	208.0
278.0850524902344	164.0
279.09161376953125	156.0
280.095458984375	1320.0
281.10296630859375	284.0
282.11285400390625	1572.0
283.1178283691406	756.0
285.1142578125	240.0
290.0811767578125	636.0
292.0906066894531	244.0
292.1336669921875	424.0
294.5721740722656	192.0
295.1702575683594	152.0
297.4107971191406	144.0
298.1053466796875	152.0
303.87091064453125	176.0
308.0921630859375	736.0
308.1289978027344	776.0
309.0951232910156	176.0
310.14300537109375	2268.0
310.8178405761719	176.0
311.1471862792969	448.0
312.14996337890625	156.0
313.14404296875	264.0
317.0205993652344	140.0
325.2019958496094	192.0
326.0988464355469	292.0
326.14703369140625	180.0
327.10430908203125	152.0
328.7974548339844	160.0
333.9664001464844	136.0
334.1058044433594	160.0
336.11676025390625	548.0
337.1280517578125	132.0
352.11138916015625	164.0
353.2236633300781	168.0
354.1326904296875	9564.0
354.227294921875	264.0
354.5827941894531	144.0
354.9351806640625	140.0
355.13580322265625	3232.0
356.1361389160156	360.0
356.17144775390625	284.0
357.14715576171875	240.0
371.1427917480469	168.0
380.15045166015625	212.0
382.16357421875	1360.0
383.1730041503906	924.0
384.1747741699219	144.0
391.03326416015625	148.0
398.1605224609375	412.0
399.1535949707031	240.0
399.238525390625	148.0
399.95465087890625	200.0
400.1741027832031	4756.0
400.2452697753906	156.0
401.1793212890625	980.0
402.1840515136719	560.0
403.0993957519531	192.0
410.19696044921875	2920.0
411.2002868652344	660.0
411.9646301269531	188.0
412.2194519042969	228.0
412.9468688964844	192.0
426.5617980957031	208.0
432.1664123535156	168.0
455.2223815917969	140.0
456.0877990722656	172.0
456.2391052246094	1264.0
457.2398376464844	520.0
459.2578125	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079232
PEPMASS=280.187531
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Sibutramine hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)CC(N(C)C)C1(CCC1)c2ccc(Cl)cc2
INCHI=InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
INCHIAUX=UNAANXDKBXWMLN-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079232
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079232
SCANS=1251
45.033111572265625	160.0
45.091896057128906	196.0
45.19219207763672	152.0
45.52059555053711	184.0
45.55984878540039	152.0
45.64825439453125	288.0
45.66439437866211	188.0
45.798988342285156	168.0
45.848838806152344	196.0
45.924339294433594	160.0
45.966163635253906	140.0
46.03287887573242	180.0
46.49686813354492	176.0
46.526512145996094	152.0
46.91559600830078	260.0
46.92650604248047	208.0
47.27482223510742	164.0
47.39532470703125	140.0
47.69862747192383	144.0
47.77701187133789	188.0
47.787322998046875	160.0
48.03461837768555	160.0
48.1826057434082	180.0
48.33026885986328	188.0
48.345489501953125	192.0
48.54220199584961	152.0
48.59074783325195	188.0
48.73521041870117	172.0
48.92290115356445	140.0
49.06779098510742	148.0
49.236629486083984	148.0
49.34981918334961	208.0
49.41835403442383	160.0
49.57238006591797	176.0
49.603214263916016	148.0
49.63265609741211	160.0
49.742088317871094	140.0
49.93036651611328	164.0
50.02886199951172	144.0
50.06547164916992	164.0
50.1429557800293	184.0
50.18802261352539	136.0
50.363059997558594	140.0
50.401145935058594	192.0
50.416748046875	208.0
50.49309158325195	176.0
50.993568420410156	156.0
51.01631164550781	180.0
51.14718246459961	164.0
51.245445251464844	152.0
51.28249740600586	188.0
51.729583740234375	224.0
51.890037536621094	152.0
52.07371520996094	140.0
52.083770751953125	248.0
52.101009368896484	328.0
52.12399673461914	140.0
52.19011688232422	224.0
52.2001838684082	148.0
52.230384826660156	148.0
52.37000274658203	140.0
52.59782409667969	336.0
52.81022644042969	152.0
52.982486724853516	252.0
53.319122314453125	144.0
53.33802032470703	152.0
53.4412727355957	188.0
53.66703414916992	172.0
53.74871826171875	192.0
53.77644348144531	232.0
53.78972244262695	164.0
53.960506439208984	280.0
54.07460403442383	160.0
54.105342864990234	160.0
54.14194869995117	140.0
54.16685104370117	148.0
54.29105758666992	204.0
54.39560317993164	148.0
54.41909408569336	184.0
54.51310348510742	160.0
54.59542465209961	148.0
54.61748504638672	164.0
54.72264862060547	244.0
54.73816680908203	148.0
54.7797966003418	196.0
55.05247497558594	172.0
55.17342758178711	144.0
55.219268798828125	144.0
55.40791320800781	172.0
55.83597946166992	180.0
55.881893157958984	236.0
55.94784164428711	148.0
56.092342376708984	148.0
56.1728630065918	180.0
56.22138595581055	152.0
56.26091003417969	144.0
56.28330612182617	152.0
56.744144439697266	144.0
56.87181091308594	152.0
56.88966751098633	144.0
56.99179458618164	156.0
57.253536224365234	164.0
57.39518737792969	220.0
57.45021057128906	124.0
57.4736213684082	160.0
57.55815124511719	232.0
57.65483093261719	152.0
57.68354797363281	200.0
57.92263412475586	192.0
57.960506439208984	204.0
58.429378509521484	188.0
58.45096969604492	208.0
58.52098846435547	252.0
58.557533264160156	192.0
58.71813201904297	196.0
58.749595642089844	200.0
58.84574508666992	224.0
59.12962341308594	152.0
59.307735443115234	156.0
59.45957565307617	216.0
59.48106384277344	188.0
59.60392761230469	164.0
59.87144470214844	164.0
59.9779052734375	172.0
59.9948616027832	312.0
60.08739471435547	144.0
60.107452392578125	160.0
60.173824310302734	172.0
60.226600646972656	316.0
60.294307708740234	132.0
60.62704086303711	196.0
60.70610427856445	172.0
60.720062255859375	168.0
60.83333206176758	244.0
60.853511810302734	196.0
60.92340087890625	180.0
60.952919006347656	172.0
61.01975631713867	144.0
61.17221450805664	160.0
61.466426849365234	176.0
61.52140808105469	288.0
61.73546600341797	160.0
61.88255310058594	152.0
62.01570510864258	156.0
62.059600830078125	164.0
62.180389404296875	204.0
62.205326080322266	176.0
62.53086853027344	144.0
62.648868560791016	132.0
62.759124755859375	156.0
62.79713439941406	140.0
63.31552505493164	212.0
63.35987854003906	160.0
63.42047882080078	148.0
63.594566345214844	260.0
63.66600799560547	172.0
63.74861526489258	192.0
64.20231628417969	184.0
64.28048706054688	196.0
64.38105773925781	140.0
64.53446197509766	200.0
64.5816650390625	100.0
64.61922454833984	172.0
64.681640625	140.0
64.7745132446289	168.0
64.84501647949219	144.0
65.06958770751953	156.0
65.09254455566406	148.0
65.13864135742188	160.0
65.418701171875	152.0
65.52391052246094	136.0
65.57308197021484	276.0
65.86027526855469	216.0
65.96853637695312	152.0
66.0008773803711	144.0
66.31331634521484	156.0
66.38788604736328	172.0
66.48035430908203	200.0
66.56314849853516	148.0
66.7126235961914	208.0
66.7402572631836	144.0
66.85087585449219	240.0
66.88906860351562	136.0
67.05606842041016	156.0
67.11638641357422	172.0
67.1865234375	216.0
67.26278686523438	196.0
67.36446380615234	148.0
67.43962860107422	156.0
67.4788589477539	196.0
67.56226348876953	184.0
67.58190155029297	148.0
67.62281036376953	156.0
67.82591247558594	220.0
68.00469970703125	192.0
68.01782989501953	172.0
68.15906524658203	204.0
68.30538940429688	148.0
68.36212158203125	132.0
68.51609802246094	172.0
68.67105102539062	192.0
68.73467254638672	120.0
68.767333984375	112.0
68.88728332519531	148.0
69.30751037597656	184.0
69.61438751220703	172.0
70.10674285888672	128.0
70.42044067382812	160.0
70.4972915649414	160.0
70.66997528076172	164.0
70.95927429199219	160.0
71.04984283447266	216.0
71.33700561523438	148.0
71.70899963378906	148.0
71.84052276611328	148.0
71.91139221191406	144.0
72.0126953125	172.0
72.04647827148438	140.0
72.06168365478516	160.0
72.108642578125	188.0
72.2713394165039	324.0
72.5101089477539	164.0
72.74757385253906	152.0
73.16748046875	156.0
73.34165954589844	176.0
73.49301147460938	144.0
73.52031707763672	184.0
73.62104034423828	168.0
73.74404907226562	148.0
73.88939666748047	140.0
74.60453796386719	156.0
74.66815948486328	156.0
74.70944213867188	204.0
74.99011993408203	156.0
75.03321075439453	148.0
75.09070587158203	140.0
75.11426544189453	140.0
75.25750732421875	184.0
75.9065933227539	128.0
75.94279479980469	152.0
75.98095703125	140.0
76.34050750732422	160.0
76.45184326171875	144.0
76.884033203125	140.0
76.91370391845703	164.0
77.13204956054688	156.0
77.30519104003906	208.0
77.4224853515625	168.0
77.79068756103516	148.0
77.89253234863281	188.0
77.92240142822266	176.0
78.13689422607422	140.0
78.4327392578125	196.0
78.51879119873047	164.0
78.63027954101562	152.0
78.64263153076172	144.0
78.75019836425781	156.0
78.79979705810547	160.0
78.82630157470703	160.0
78.89257049560547	164.0
79.16240692138672	152.0
79.32008361816406	188.0
79.58975219726562	148.0
79.60928344726562	220.0
79.66612243652344	204.0
79.71409606933594	148.0
79.88833618164062	144.0
79.9684066772461	160.0
80.10016632080078	268.0
80.89838409423828	180.0
80.93418884277344	144.0
80.99024200439453	148.0
81.21734619140625	160.0
81.45187377929688	188.0
81.59596252441406	148.0
81.72035217285156	160.0
81.75739288330078	176.0
81.82293701171875	172.0
81.90577697753906	200.0
82.11846160888672	176.0
82.1707763671875	152.0
82.42174530029297	172.0
82.4506607055664	140.0
82.5066909790039	156.0
82.52115631103516	148.0
82.57178497314453	164.0
83.44036102294922	144.0
83.82623291015625	140.0
83.93560791015625	188.0
83.9866714477539	172.0
84.54025268554688	180.0
84.65008544921875	164.0
84.83696746826172	188.0
85.34185028076172	164.0
85.6676025390625	156.0
85.7228775024414	192.0
85.73577880859375	140.0
85.95145416259766	192.0
85.98290252685547	192.0
86.04935455322266	176.0
86.06412506103516	156.0
86.19527435302734	188.0
86.2913818359375	180.0
86.49117279052734	204.0
86.57078552246094	172.0
86.70973205566406	160.0
86.76534271240234	144.0
86.78079986572266	228.0
86.93598175048828	160.0
87.2313003540039	140.0
87.38379669189453	140.0
87.4582290649414	172.0
87.48987579345703	168.0
87.76002502441406	168.0
88.03618621826172	168.0
88.06233215332031	144.0
88.10343170166016	184.0
88.20433807373047	148.0
88.65164947509766	144.0
88.7135009765625	228.0
88.84477996826172	180.0
88.9085693359375	164.0
88.9385986328125	160.0
89.03986358642578	504.0
89.07567596435547	140.0
89.21473693847656	140.0
89.55908966064453	148.0
89.62879180908203	188.0
89.79280090332031	168.0
90.04568481445312	232.0
90.2176513671875	180.0
90.42193603515625	180.0
90.89759826660156	152.0
90.99250030517578	148.0
91.05026245117188	148.0
91.08174896240234	144.0
91.25849151611328	216.0
91.38211822509766	180.0
91.51535034179688	152.0
91.54200744628906	140.0
91.74015808105469	148.0
91.87174224853516	148.0
92.1008071899414	156.0
92.3631820678711	180.0
92.4564208984375	140.0
92.48704528808594	148.0
92.65939331054688	152.0
93.01224517822266	192.0
93.35423278808594	144.0
93.4465560913086	176.0
93.62557220458984	156.0
93.9262466430664	160.0
93.97833251953125	140.0
94.00727844238281	184.0
94.02850341796875	204.0
94.07101440429688	152.0
94.09285736083984	148.0
94.14433288574219	156.0
94.4312973022461	132.0
94.52709197998047	188.0
94.7826919555664	212.0
94.85535430908203	108.0
95.08639526367188	1268.0
95.1900405883789	212.0
96.08112335205078	152.0
96.29583740234375	172.0
96.40609741210938	160.0
96.6265640258789	152.0
96.7165756225586	232.0
96.8516845703125	160.0
96.91437530517578	204.0
97.10135650634766	5528.0
97.14571380615234	144.0
97.16083526611328	184.0
97.24774932861328	140.0
97.31056213378906	332.0
97.41661834716797	156.0
97.69379425048828	192.0
97.71150207519531	216.0
97.76659393310547	156.0
97.79415130615234	164.0
97.99107360839844	148.0
98.02456665039062	152.0
98.0511703491211	140.0
98.10417175292969	580.0
98.16949462890625	144.0
98.23750305175781	140.0
98.2572250366211	140.0
98.99918365478516	1208.0
99.14702606201172	176.0
99.1870346069336	108.0
99.2553939819336	168.0
99.355224609375	192.0
99.62322998046875	148.0
99.90750885009766	180.0
100.1065444946289	152.0
100.19617462158203	188.0
100.44934844970703	156.0
100.8287124633789	172.0
100.99369049072266	212.0
101.01266479492188	176.0
101.03666687011719	216.0
101.06964111328125	184.0
101.11670684814453	144.0
101.17875671386719	208.0
101.2706069946289	152.0
101.34632873535156	156.0
101.4873046875	184.0
101.77623748779297	180.0
102.04744720458984	252.0
102.09774780273438	188.0
102.13797760009766	180.0
102.19631958007812	172.0
102.22608184814453	136.0
102.24662780761719	156.0
102.28919982910156	156.0
102.34928894042969	164.0
102.83512878417969	148.0
102.96434020996094	156.0
102.99463653564453	144.0
103.05471801757812	6628.0
103.35448455810547	160.0
103.55084991455078	168.0
103.56705474853516	184.0
103.66132354736328	196.0
104.0583724975586	636.0
104.27515411376953	160.0
104.4662857055664	168.0
104.5267333984375	152.0
104.82666015625	160.0
104.92449951171875	180.0
105.02033996582031	180.0
105.06128692626953	108.0
105.1213607788086	240.0
105.17597961425781	100.0
105.2550277709961	172.0
105.41436004638672	148.0
105.48589324951172	144.0
105.58403778076172	232.0
105.61880493164062	144.0
106.03034210205078	140.0
106.14718627929688	156.0
106.19403839111328	180.0
106.3863296508789	140.0
107.1722183227539	148.0
107.40583801269531	156.0
107.53462219238281	136.0
107.80223846435547	164.0
107.97589111328125	172.0
108.914794921875	148.0
108.98335266113281	272.0
109.0298080444336	180.0
109.10139465332031	14024.0
109.25701141357422	96.0
109.33061981201172	148.0
109.62007904052734	152.0
109.69302368164062	144.0
109.82855987548828	248.0
109.9349594116211	156.0
110.1041488647461	796.0
110.2628402709961	160.0
110.33390808105469	188.0
110.6875	268.0
110.780029296875	112.0
111.07942199707031	148.0
111.10759735107422	120.0
111.19062042236328	156.0
111.36067962646484	224.0
111.42790222167969	200.0
111.66543579101562	208.0
111.81108856201172	156.0
112.13704681396484	200.0
112.20028686523438	208.0
112.59486389160156	264.0
112.67301940917969	176.0
112.75786590576172	132.0
112.83152770996094	144.0
113.01030731201172	120.0
113.04303741455078	176.0
113.30558776855469	172.0
113.34796142578125	148.0
113.57268524169922	156.0
113.62571716308594	144.0
113.88158416748047	156.0
114.40140533447266	168.0
114.62904357910156	164.0
114.90008544921875	180.0
114.96623229980469	196.0
115.05435180664062	2636.0
115.12847900390625	176.0
115.25450897216797	160.0
115.53459167480469	152.0
115.61215209960938	160.0
115.67154693603516	152.0
115.97547149658203	184.0
116.06226348876953	2656.0
116.1343765258789	160.0
116.21588897705078	152.0
116.41551971435547	208.0
116.6290512084961	168.0
116.76151275634766	224.0
116.9070053100586	172.0
117.01264953613281	192.0
117.05203247070312	140.0
117.06925964355469	316.0
117.12741088867188	196.0
117.16187286376953	184.0
117.24076843261719	160.0
117.27608489990234	152.0
117.42916107177734	148.0
117.61256408691406	196.0
117.86908721923828	164.0
117.96111297607422	244.0
118.04157257080078	152.0
118.06843566894531	168.0
118.12467193603516	140.0
118.23934936523438	248.0
118.30211639404297	212.0
118.55770111083984	144.0
118.8699722290039	176.0
119.02973175048828	204.0
119.06100463867188	180.0
119.63502502441406	180.0
119.85935974121094	220.0
119.95743560791016	148.0
120.16242980957031	144.0
120.29991912841797	156.0
120.4112777709961	144.0
120.45215606689453	184.0
120.48772430419922	256.0
120.97102355957031	180.0
121.04108428955078	152.0
121.1045913696289	232.0
121.3083724975586	172.0
121.3763427734375	164.0
121.52987670898438	236.0
121.57815551757812	216.0
121.7581787109375	164.0
121.82406616210938	188.0
121.83944702148438	176.0
122.3342514038086	152.0
122.43773651123047	152.0
122.45846557617188	156.0
122.64043426513672	160.0
122.6558609008789	144.0
122.72420501708984	240.0
122.86315155029297	168.0
122.98230743408203	148.0
123.11730194091797	3308.0
123.15943145751953	128.0
123.30034637451172	152.0
123.52700805664062	188.0
123.81139373779297	156.0
123.88449096679688	148.0
123.9155044555664	152.0
124.11661529541016	408.0
124.19925689697266	204.0
124.34614562988281	156.0
124.55217742919922	184.0
124.6976547241211	212.0
124.75439453125	168.0
124.79885864257812	144.0
124.8194580078125	196.0
124.8371353149414	132.0
124.86234283447266	248.0
124.90259552001953	124.0
124.92185974121094	144.0
124.94219207763672	272.0
124.96637725830078	336.0
125.0162582397461	149704.0
125.09602355957031	196.0
125.12570190429688	132.0
125.15660858154297	112.0
125.17466735839844	132.0
125.19189453125	228.0
125.22308349609375	208.0
125.24921417236328	120.0
125.31399536132812	96.0
125.3814926147461	1040.0
125.49046325683594	212.0
125.64458465576172	192.0
125.73149108886719	248.0
125.77996063232422	112.0
125.90708923339844	176.0
126.01920318603516	13672.0
126.04869842529297	444.0
126.45409393310547	176.0
126.56314849853516	280.0
126.6863784790039	112.0
126.7507095336914	256.0
126.82440185546875	240.0
126.84307861328125	148.0
126.89456939697266	112.0
126.90119171142578	104.0
126.92902374267578	140.0
126.95076751708984	212.0
127.01280212402344	47672.0
127.0846176147461	184.0
127.13172912597656	120.0
127.48347473144531	156.0
127.51836395263672	192.0
127.55734252929688	176.0
127.68521118164062	156.0
127.70604705810547	216.0
127.84103393554688	264.0
128.01589965820312	1720.0
128.06173706054688	1340.0
128.18106079101562	148.0
128.28924560546875	176.0
128.70265197753906	180.0
128.89637756347656	104.0
128.9267578125	180.0
129.06982421875	1544.0
129.11338806152344	188.0
129.3147430419922	188.0
130.04000854492188	152.0
130.07736206054688	1852.0
130.11492919921875	148.0
130.16714477539062	140.0
130.4429473876953	152.0
130.53526306152344	168.0
130.88340759277344	160.0
131.06007385253906	156.0
131.08053588867188	156.0
131.27333068847656	104.0
131.65188598632812	164.0
131.67015075683594	140.0
131.7295379638672	200.0
131.89634704589844	140.0
132.13417053222656	168.0
132.2083740234375	140.0
132.39053344726562	180.0
132.58067321777344	152.0
132.80076599121094	168.0
132.8833465576172	228.0
133.07069396972656	128.0
133.2001495361328	160.0
133.4245147705078	172.0
133.5127410888672	148.0
133.7220916748047	152.0
133.8516082763672	140.0
133.9707794189453	180.0
134.3303985595703	160.0
134.54501342773438	140.0
135.05569458007812	180.0
135.0967254638672	200.0
135.12509155273438	180.0
135.27407836914062	128.0
135.3032989501953	148.0
136.1728515625	148.0
136.40985107421875	164.0
136.50750732421875	152.0
136.68894958496094	172.0
136.86471557617188	132.0
137.0204620361328	460.0
137.83152770996094	168.0
138.04891967773438	156.0
138.06529235839844	152.0
138.08399963378906	176.0
138.23605346679688	152.0
138.4373779296875	172.0
138.7091522216797	148.0
138.7377471923828	120.0
138.76950073242188	108.0
138.81700134277344	172.0
138.8713836669922	148.0
138.93421936035156	156.0
138.96746826171875	208.0
139.03187561035156	113908.0
139.10861206054688	164.0
139.27870178222656	104.0
139.29397583007812	192.0
139.34249877929688	96.0
139.41746520996094	932.0
139.49093627929688	152.0
139.627197265625	176.0
140.03488159179688	11772.0
140.0727996826172	176.0
140.3328857421875	104.0
140.44302368164062	104.0
140.54591369628906	152.0
140.80557250976562	156.0
140.82241821289062	152.0
140.8863983154297	148.0
140.9830322265625	236.0
141.02857971191406	32520.0
141.07286071777344	400.0
141.1128387451172	140.0
141.1707000732422	140.0
141.2948760986328	140.0
141.38363647460938	100.0
141.6605224609375	140.0
141.87474060058594	184.0
141.9591827392578	104.0
142.0312957763672	2564.0
142.0767364501953	540.0
142.8415985107422	164.0
143.05722045898438	272.0
143.083984375	788.0
143.1099853515625	144.0
143.60618591308594	184.0
144.09275817871094	976.0
144.14349365234375	124.0
144.26522827148438	180.0
144.70303344726562	196.0
145.01712036132812	132.0
145.09713745117188	304.0
145.30218505859375	188.0
145.62144470214844	204.0
146.3583984375	160.0
147.38623046875	168.0
148.07427978515625	176.0
149.00048828125	144.0
149.03248596191406	140.0
149.44338989257812	180.0
149.47015380859375	240.0
149.8767852783203	148.0
150.02508544921875	328.0
150.98748779296875	144.0
151.03091430664062	12968.0
151.95700073242188	156.0
152.0354461669922	1008.0
152.3355712890625	180.0
152.57748413085938	192.0
152.71656799316406	140.0
152.7362518310547	188.0
152.77806091308594	144.0
152.9700164794922	188.0
153.04718017578125	52940.0
153.12217712402344	204.0
153.17312622070312	96.0
153.25372314453125	100.0
153.32553100585938	152.0
153.41146850585938	96.0
153.47772216796875	196.0
153.97044372558594	144.0
154.04946899414062	5492.0
154.19834899902344	140.0
154.96298217773438	160.0
155.04421997070312	13360.0
155.13917541503906	172.0
155.1800994873047	280.0
155.26663208007812	120.0
156.0457763671875	1040.0
156.23660278320312	180.0
156.43568420410156	180.0
157.09605407714844	164.0
158.1123809814453	216.0
158.42848205566406	172.0
158.53846740722656	116.0
159.0729522705078	140.0
159.39663696289062	160.0
160.3582763671875	176.0
160.58518981933594	148.0
160.90313720703125	144.0
161.5475616455078	180.0
162.02603149414062	228.0
162.46714782714844	144.0
163.02670288085938	164.0
164.0345458984375	188.0
164.0769500732422	184.0
164.23760986328125	156.0
164.4493865966797	204.0
164.55148315429688	172.0
164.6715087890625	164.0
164.88101196289062	204.0
165.04681396484375	11188.0
165.10086059570312	140.0
165.87750244140625	144.0
166.0494384765625	648.0
167.0596160888672	3204.0
167.26528930664062	124.0
167.70420837402344	152.0
168.04547119140625	380.0
168.06541442871094	248.0
168.58685302734375	156.0
169.05987548828125	1308.0
169.1455078125	176.0
169.60137939453125	204.0
170.36428833007812	168.0
171.09243774414062	172.0
171.12208557128906	124.0
171.44927978515625	192.0
174.11776733398438	144.0
174.8749542236328	220.0
175.72348022460938	148.0
176.44325256347656	120.0
177.05101013183594	200.0
177.99404907226562	128.0
178.0555419921875	160.0
178.4993438720703	228.0
178.62167358398438	172.0
178.9729766845703	148.0
179.06256103515625	26364.0
179.24139404296875	124.0
179.7086181640625	144.0
180.0654754638672	2128.0
180.7025146484375	164.0
181.0183563232422	184.0
181.05982971191406	8684.0
181.32107543945312	144.0
182.06448364257812	648.0
182.8249969482422	140.0
183.89224243164062	168.0
184.8705596923828	216.0
187.65748596191406	180.0
188.34518432617188	168.0
191.05921936035156	148.0
192.77125549316406	140.0
193.07875061035156	2340.0
194.08238220214844	400.0
194.8326873779297	140.0
195.0725860595703	516.0
196.0780029296875	116.0
196.6370391845703	240.0
196.8575897216797	140.0
197.18423461914062	156.0
197.86984252929688	160.0
198.06300354003906	156.0
198.16104125976562	192.0
201.1278839111328	156.0
201.8680877685547	140.0
201.92465209960938	152.0
202.04627990722656	164.0
203.03199768066406	164.0
204.48660278320312	156.0
205.4154815673828	144.0
205.88070678710938	144.0
206.6009979248047	152.0
207.57479858398438	152.0
208.723388671875	140.0
209.57249450683594	176.0
209.9472198486328	172.0
211.51028442382812	152.0
212.1301727294922	196.0
213.67514038085938	168.0
214.44972229003906	192.0
214.73252868652344	240.0
214.9954071044922	152.0
215.50025939941406	164.0
216.56507873535156	156.0
216.8844451904297	148.0
217.22312927246094	112.0
217.39768981933594	164.0
219.38865661621094	128.0
219.98777770996094	148.0
222.81002807617188	156.0
223.22317504882812	184.0
223.43136596679688	152.0
224.2025604248047	180.0
226.0150909423828	188.0
226.33543395996094	144.0
228.72515869140625	160.0
231.83297729492188	160.0
234.08395385742188	140.0
235.12428283691406	3576.0
235.36465454101562	192.0
235.6884307861328	148.0
236.12530517578125	908.0
237.12298583984375	1640.0
237.16041564941406	224.0
237.3075714111328	236.0
237.60812377929688	148.0
237.97642517089844	180.0
238.12513732910156	168.0
238.93533325195312	152.0
239.29541015625	180.0
239.34645080566406	104.0
240.7786102294922	140.0
241.4894561767578	148.0
243.25563049316406	196.0
244.13490295410156	204.0
244.2873077392578	144.0
244.4895477294922	140.0
247.02618408203125	148.0
248.6147003173828	148.0
250.90455627441406	176.0
252.1475067138672	140.0
252.18931579589844	264.0
252.3199920654297	152.0
253.4361572265625	160.0
254.72418212890625	152.0
254.96884155273438	156.0
255.45849609375	156.0
257.0547180175781	148.0
258.58868408203125	212.0
259.0721740722656	148.0
259.0946044921875	208.0
262.2984924316406	164.0
262.5678405761719	104.0
263.59588623046875	152.0
264.11639404296875	148.0
264.51116943359375	168.0
265.8010559082031	148.0
265.9762878417969	152.0
266.3789367675781	176.0
266.9054260253906	168.0
266.95745849609375	184.0
267.4324645996094	192.0
269.398681640625	144.0
270.8314208984375	140.0
271.12957763671875	164.0
272.3270568847656	180.0
275.7668151855469	144.0
275.79327392578125	144.0
276.96124267578125	144.0
277.43841552734375	260.0
278.0764465332031	128.0
278.1739501953125	176.0
278.46246337890625	104.0
278.51055908203125	128.0
278.610107421875	156.0
278.8311462402344	164.0
278.8766174316406	128.0
278.94049072265625	108.0
278.9924011230469	124.0
279.0519104003906	112.0
279.0950622558594	160.0
279.2813720703125	212.0
279.4367980957031	116.0
279.4587707519531	124.0
279.5209045410156	216.0
279.55145263671875	220.0
279.60797119140625	300.0
279.6534118652344	200.0
279.7572021484375	260.0
279.8792419433594	148.0
279.9222106933594	100.0
279.9859619140625	232.0
280.01544189453125	280.0
280.0611267089844	132.0
280.08544921875	124.0
280.1844787597656	143408.0
280.3023986816406	172.0
280.3770751953125	296.0
280.427978515625	192.0
280.49371337890625	348.0
280.5352783203125	236.0
280.6032409667969	200.0
280.6853942871094	204.0
280.7318420410156	2288.0
280.7763366699219	424.0
280.8955078125	204.0
280.9382629394531	200.0
281.0035400390625	136.0
281.07110595703125	188.0
281.1007385253906	144.0
281.1871643066406	30920.0
281.53302001953125	240.0
281.6125183105469	108.0
281.6493225097656	152.0
281.7173767089844	104.0
281.7686462402344	168.0
281.8045349121094	168.0
281.9100646972656	148.0
282.07305908203125	188.0
282.11572265625	160.0
282.1812438964844	56468.0
282.2886047363281	164.0
282.43377685546875	136.0
282.47161865234375	132.0
282.50823974609375	264.0
282.5859069824219	152.0
282.63470458984375	204.0
282.6920166015625	132.0
282.725830078125	168.0
282.79168701171875	136.0
282.86328125	96.0
282.9483947753906	128.0
282.9815673828125	96.0
283.0307922363281	212.0
283.0645446777344	224.0
283.109619140625	128.0
283.1828308105469	5536.0
283.2893981933594	120.0
283.3849792480469	140.0
283.4148864746094	156.0
283.7712707519531	124.0
283.8555603027344	116.0
284.141357421875	144.0
284.1869201660156	172.0
285.0286560058594	216.0
285.1458435058594	144.0
285.18328857421875	144.0
285.33599853515625	116.0
285.67816162109375	128.0
286.2474060058594	124.0
290.3959045410156	140.0
291.16387939453125	100.0
293.5416564941406	148.0
520.3031616210938	152.0
753.1044921875	140.0
845.2910766601562	176.0
896.9497680664062	220.0
936.6428833007812	152.0
944.5169677734375	232.0
976.3182373046875	156.0
977.4877319335938	248.0
995.3088989257812	152.0
1022.8165893554688	140.0
1027.768310546875	192.0
1051.505859375	192.0
1052.9842529296875	156.0
1070.3575439453125	260.0
1092.6044921875	164.0
1092.874267578125	196.0
1096.0018310546875	240.0
1106.106201171875	140.0
1114.688232421875	168.0
1135.8388671875	196.0
1152.615966796875	160.0
1153.7447509765625	156.0
1154.265380859375	168.0
1159.7421875	152.0
1168.209716796875	180.0
1196.404541015625	240.0
1198.429443359375	204.0
1226.7545166015625	168.0
1227.7794189453125	196.0
1228.448974609375	148.0
1230.0888671875	316.0
1233.49072265625	144.0
1235.7705078125	140.0
1239.55859375	192.0
1240.0982666015625	248.0
1256.99755859375	152.0
1258.797607421875	180.0
1262.4793701171875	200.0
1272.2430419921875	172.0
1274.260009765625	248.0
1274.480224609375	176.0
1277.94384765625	152.0
1280.099609375	164.0
1284.76806640625	172.0
1294.9326171875	164.0
1296.3653564453125	160.0
1297.0247802734375	244.0
1302.47802734375	152.0
1307.043212890625	156.0
1322.37109375	152.0
1322.9501953125	188.0
1330.5404052734375	208.0
1332.5958251953125	248.0
1333.09716796875	184.0
1346.1219482421875	208.0
1348.35009765625	156.0
1348.6204833984375	144.0
1364.050048828125	168.0
1365.8809814453125	164.0
1369.60546875	168.0
1370.8505859375	184.0
1376.995849609375	152.0
1416.57470703125	236.0
1416.6646728515625	144.0
1417.09912109375	152.0
1420.420166015625	140.0
1424.3084716796875	144.0
1430.12060546875	220.0
1430.3162841796875	168.0
1434.6778564453125	168.0
1440.208984375	156.0
1447.847900390625	172.0
1448.4840087890625	144.0
1451.280517578125	144.0
1455.567626953125	168.0
1459.982666015625	144.0
1467.9024658203125	220.0
1476.31005859375	148.0
1485.16357421875	188.0
1486.00732421875	144.0
1486.65185546875	160.0
1487.36572265625	184.0
1489.246826171875	152.0
1490.9140625	148.0
1494.9898681640625	152.0
1498.593505859375	140.0
1499.371826171875	248.0
1503.43603515625	248.0
1509.5155029296875	148.0
1511.4957275390625	184.0
1513.72509765625	216.0
1515.1192626953125	160.0
1518.2584228515625	164.0
1520.624755859375	188.0
1521.680419921875	152.0
1522.8218994140625	148.0
1523.1092529296875	168.0
1523.3345947265625	208.0
1529.423095703125	208.0
1532.8419189453125	156.0
1534.8062744140625	236.0
1536.68603515625	208.0
1537.630126953125	200.0
1538.894775390625	140.0
1542.5196533203125	224.0
1548.1529541015625	156.0
1549.0927734375	192.0
1549.7666015625	140.0
1552.81591796875	156.0
1554.840087890625	140.0
1558.9315185546875	344.0
1561.635986328125	172.0
1561.81689453125	168.0
1564.8544921875	160.0
1566.6180419921875	188.0
1568.9749755859375	180.0
1572.0667724609375	172.0
1573.3848876953125	148.0
1576.1650390625	144.0
1578.0225830078125	156.0
1580.6168212890625	172.0
1582.6827392578125	152.0
1583.1270751953125	180.0
1583.807373046875	140.0
1584.044921875	140.0
1584.274658203125	212.0
1585.5028076171875	172.0
1588.27783203125	204.0
1588.34130859375	144.0
1591.4283447265625	168.0
1592.953125	172.0
1593.78271484375	172.0
1594.0018310546875	140.0
1598.9244384765625	200.0
1600.1900634765625	184.0
1601.3765869140625	144.0
1605.3828125	128.0
1612.7142333984375	140.0
1613.0499267578125	192.0
1617.9857177734375	172.0
1618.9786376953125	168.0
1620.77294921875	180.0
1621.9591064453125	184.0
1623.6026611328125	156.0
1625.873046875	176.0
1626.1539306640625	228.0
1627.7916259765625	156.0
1627.9603271484375	200.0
1632.0986328125	164.0
1632.5328369140625	180.0
1637.8848876953125	152.0
1638.2393798828125	148.0
1638.8677978515625	200.0
1640.3505859375	148.0
1641.9713134765625	176.0
1648.962890625	176.0
1650.280517578125	144.0
1650.5654296875	120.0
1654.07470703125	160.0
1655.1556396484375	224.0
1655.807373046875	164.0
1656.714599609375	144.0
1660.4918212890625	140.0
1662.1998291015625	160.0
1666.42578125	216.0
1666.8807373046875	140.0
1669.9049072265625	172.0
1670.474365234375	156.0
1671.4854736328125	196.0
1672.7772216796875	152.0
1673.119140625	144.0
1673.4366455078125	212.0
1673.9169921875	144.0
1674.0799560546875	148.0
1677.990966796875	156.0
1679.0347900390625	156.0
1680.4801025390625	152.0
1680.601806640625	160.0
1681.172119140625	152.0
1681.8494873046875	232.0
1685.4510498046875	140.0
1686.5706787109375	168.0
1687.208251953125	152.0
1688.41845703125	148.0
1691.3638916015625	200.0
1692.5162353515625	200.0
1695.327880859375	168.0
1697.9010009765625	164.0
1699.3974609375	156.0
1699.6739501953125	160.0
1701.249755859375	140.0
1704.8226318359375	180.0
1706.9927978515625	144.0
1709.36181640625	188.0
1710.38232421875	160.0
1711.9466552734375	200.0
1715.1103515625	140.0
1715.8604736328125	144.0
1716.5118408203125	204.0
1716.6767578125	140.0
1717.856201171875	208.0
1720.1832275390625	160.0
1721.4630126953125	172.0
1722.8670654296875	264.0
1723.29345703125	172.0
1724.12451171875	180.0
1726.12353515625	216.0
1728.34033203125	160.0
1728.5389404296875	168.0
1730.5006103515625	208.0
1731.461181640625	176.0
1734.4439697265625	148.0
1734.8004150390625	168.0
1734.9661865234375	148.0
1737.868896484375	164.0
1739.3377685546875	160.0
1739.770263671875	196.0
1741.2747802734375	196.0
1742.8673095703125	256.0
1743.8978271484375	144.0
1744.7706298828125	168.0
1745.84326171875	160.0
1746.5809326171875	236.0
1746.849609375	156.0
1747.8919677734375	168.0
1748.2640380859375	176.0
1749.2545166015625	144.0
1752.8358154296875	168.0
1755.803466796875	172.0
1756.712646484375	156.0
1759.68359375	184.0
1759.967529296875	180.0
1760.829345703125	152.0
1761.3956298828125	168.0
1762.5234375	172.0
1762.68212890625	172.0
1765.4156494140625	220.0
1766.2520751953125	152.0
1767.1053466796875	140.0
1769.2059326171875	176.0
1769.3399658203125	188.0
1769.582763671875	168.0
1769.766845703125	180.0
1775.758544921875	228.0
1776.3121337890625	168.0
1777.881103515625	160.0
1779.1317138671875	160.0
1779.635498046875	160.0
1780.105712890625	172.0
1780.903564453125	172.0
1781.4327392578125	188.0
1781.9620361328125	200.0
1784.9542236328125	164.0
1786.42919921875	196.0
1788.9759521484375	156.0
1789.422119140625	188.0
1790.9041748046875	188.0
1791.4853515625	184.0
1792.125732421875	260.0
1793.684814453125	216.0
1795.6156005859375	156.0
1795.68310546875	160.0
1796.830322265625	156.0
1796.9146728515625	140.0
1797.4124755859375	208.0
1797.5052490234375	192.0
1798.357666015625	200.0
1799.5172119140625	188.0
1799.8433837890625	164.0
1802.7745361328125	160.0
1804.3804931640625	148.0
1809.6260986328125	188.0
1811.1080322265625	156.0
1812.1500244140625	180.0
1813.17529296875	140.0
1813.870361328125	216.0
1815.67626953125	140.0
1818.1959228515625	212.0
1820.4710693359375	160.0
1821.4818115234375	148.0
1822.033935546875	184.0
1822.7391357421875	204.0
1824.12451171875	148.0
1824.2010498046875	188.0
1824.43896484375	200.0
1825.2891845703125	180.0
1827.322021484375	168.0
1827.517822265625	152.0
1828.0283203125	224.0
1828.9559326171875	208.0
1831.408203125	188.0
1831.800048828125	164.0
1834.757080078125	204.0
1835.2259521484375	200.0
1836.104248046875	164.0
1841.797119140625	152.0
1841.92529296875	208.0
1843.04443359375	220.0
1845.8309326171875	228.0
1847.0283203125	192.0
1847.1566162109375	156.0
1848.7822265625	140.0
1850.3486328125	144.0
1851.5902099609375	188.0
1852.1568603515625	180.0
1852.6951904296875	196.0
1853.114990234375	208.0
1853.560546875	248.0
1854.1822509765625	188.0
1857.2373046875	160.0
1858.1219482421875	196.0
1860.8511962890625	152.0
1860.9146728515625	120.0
1861.0057373046875	156.0
1861.1837158203125	168.0
1861.7698974609375	172.0
1865.7825927734375	160.0
1865.9888916015625	168.0
1867.2615966796875	160.0
1867.51953125	152.0
1869.2745361328125	152.0
1869.4725341796875	160.0
1873.062744140625	148.0
1874.1051025390625	144.0
1874.7945556640625	192.0
1875.4854736328125	224.0
1876.0877685546875	200.0
1876.86328125	204.0
1877.29443359375	160.0
1877.90673828125	156.0
1878.9246826171875	268.0
1880.2620849609375	208.0
1880.4739990234375	160.0
1881.151123046875	204.0
1881.3065185546875	144.0
1882.5938720703125	176.0
1883.283935546875	176.0
1885.8759765625	176.0
1886.4205322265625	140.0
1886.9896240234375	224.0
1887.181396484375	144.0
1888.314208984375	188.0
1888.9888916015625	188.0
1889.931884765625	196.0
1892.4072265625	180.0
1893.896728515625	168.0
1894.4078369140625	152.0
1894.667724609375	140.0
1895.109619140625	148.0
1895.3026123046875	196.0
1896.548095703125	144.0
1896.8427734375	212.0
1897.2589111328125	140.0
1899.0191650390625	204.0
1899.5743408203125	148.0
1899.860595703125	204.0
1900.5025634765625	152.0
1901.1273193359375	224.0
1901.8043212890625	164.0
1902.3272705078125	160.0
1903.159423828125	128.0
1903.3236083984375	148.0
1906.54638671875	248.0
1908.8572998046875	128.0
1909.38916015625	156.0
1910.0240478515625	164.0
1910.0936279296875	164.0
1910.1719970703125	176.0
1911.37255859375	144.0
1912.930419921875	140.0
1914.0186767578125	196.0
1914.61962890625	168.0
1915.717041015625	184.0
1916.7886962890625	148.0
1917.5643310546875	148.0
1919.76123046875	152.0
1924.48193359375	172.0
1926.3770751953125	152.0
1926.516845703125	228.0
1926.822509765625	188.0
1927.95849609375	176.0
1931.3944091796875	220.0
1932.3304443359375	144.0
1934.10693359375	164.0
1934.29150390625	240.0
1934.912353515625	200.0
1936.8038330078125	184.0
1939.301025390625	152.0
1939.616455078125	196.0
1940.4229736328125	236.0
1940.66845703125	184.0
1940.9140625	156.0
1941.0631103515625	144.0
1941.34375	156.0
1941.53662109375	144.0
1942.5189208984375	164.0
1943.23828125	180.0
1946.292724609375	220.0
1950.1756591796875	152.0
1953.191650390625	180.0
1953.6226806640625	152.0
1953.8922119140625	168.0
1954.8245849609375	152.0
1956.711669921875	164.0
1958.833984375	176.0
1959.195068359375	148.0
1959.8687744140625	152.0
1960.0057373046875	196.0
1960.5872802734375	176.0
1960.7723388671875	168.0
1960.9310302734375	236.0
1961.239501953125	144.0
1961.415771484375	172.0
1961.7242431640625	148.0
1962.3280029296875	236.0
1962.9501953125	200.0
1963.8846435546875	176.0
1964.8990478515625	168.0
1965.057861328125	220.0
1965.3843994140625	188.0
1967.02587890625	164.0
1968.2152099609375	152.0
1970.0635986328125	144.0
1971.1856689453125	140.0
1973.0594482421875	156.0
1974.8367919921875	220.0
1977.71240234375	156.0
1978.2877197265625	252.0
1978.4471435546875	156.0
1979.500732421875	168.0
1979.562744140625	140.0
1980.6697998046875	184.0
1982.258056640625	148.0
1982.5657958984375	148.0
1983.1304931640625	152.0
1983.2127685546875	148.0
1983.8380126953125	180.0
1984.7818603515625	176.0
1985.85498046875	152.0
1987.8155517578125	140.0
1988.1439208984375	156.0
1989.333251953125	240.0
1989.777099609375	176.0
1990.8248291015625	148.0
1993.48291015625	96.0
1993.64990234375	176.0
1993.8809814453125	196.0
1994.5831298828125	184.0
1996.4478759765625	188.0
1996.7347412109375	164.0
1997.2042236328125	200.0
2000.7833251953125	212.0
2001.2196044921875	168.0
2001.923095703125	160.0
2003.286376953125	132.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079233
PEPMASS=289.220825
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=DEHYDROEPIANDROSTERONE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]2CCC1=O
INCHI=InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
INCHIAUX=FMGSKLZLMKYGDP-USOAJAOKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079233
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079233
SCANS=1383
45.28458023071289	188.0
45.890647888183594	164.0
46.06879425048828	156.0
46.557762145996094	152.0
47.049312591552734	144.0
47.96155548095703	208.0
50.05000305175781	220.0
51.994773864746094	180.0
52.87101364135742	192.0
53.322052001953125	184.0
53.73706817626953	140.0
53.769168853759766	224.0
54.00293731689453	144.0
54.9342155456543	148.0
56.473121643066406	148.0
57.33491134643555	140.0
57.51741027832031	168.0
57.58988952636719	144.0
58.78318786621094	184.0
59.24799728393555	156.0
60.90633773803711	180.0
62.60331344604492	156.0
62.68207931518555	148.0
63.128814697265625	152.0
63.5676155090332	140.0
64.32520294189453	148.0
65.62923431396484	152.0
66.77769470214844	160.0
69.739013671875	240.0
71.65174102783203	144.0
71.90129852294922	168.0
72.68311309814453	140.0
73.64669036865234	160.0
76.53543090820312	160.0
78.96422576904297	172.0
79.277587890625	172.0
79.78878021240234	148.0
81.1474380493164	168.0
81.2335205078125	184.0
82.19245910644531	180.0
83.44221496582031	188.0
84.6061782836914	176.0
85.81138610839844	164.0
86.14307403564453	148.0
86.85995483398438	160.0
89.33324432373047	156.0
89.44239044189453	176.0
90.97734832763672	240.0
91.05435180664062	164.0
91.1558837890625	164.0
91.30796813964844	192.0
91.38025665283203	156.0
93.0697021484375	148.0
93.3388900756836	148.0
95.08545684814453	184.0
95.42713928222656	236.0
95.52437591552734	268.0
96.59334564208984	208.0
96.74402618408203	144.0
96.89678192138672	200.0
97.06539916992188	8644.0
97.1021499633789	104.0
97.23601531982422	172.0
98.06826782226562	1160.0
98.12580108642578	212.0
98.67201232910156	148.0
99.06757354736328	164.0
99.77828216552734	152.0
101.7802963256836	140.0
103.68866729736328	148.0
104.25284576416016	176.0
105.07024383544922	680.0
105.7457046508789	232.0
106.06932830810547	152.0
106.1185302734375	140.0
107.04597473144531	328.0
107.08757781982422	368.0
107.1502685546875	180.0
108.1414566040039	248.0
108.82139587402344	180.0
108.99327087402344	192.0
109.04158782958984	156.0
109.06503295898438	13420.0
109.10271453857422	204.0
109.60041809082031	184.0
109.68842315673828	104.0
110.06925964355469	1092.0
111.27253723144531	156.0
112.81043243408203	144.0
114.4461669921875	156.0
114.77429962158203	232.0
114.85533905029297	140.0
115.8300552368164	184.0
116.60462188720703	220.0
117.0726547241211	216.0
118.70299530029297	152.0
119.08708190917969	340.0
119.67861938476562	204.0
120.10575866699219	180.0
120.17338562011719	152.0
121.06417083740234	692.0
121.1011734008789	816.0
121.26458740234375	156.0
122.10376739501953	176.0
122.87864685058594	176.0
123.0797348022461	2728.0
124.08822631835938	132.0
127.0838394165039	140.0
127.15340423583984	156.0
127.31729125976562	216.0
128.86705017089844	176.0
128.9845733642578	148.0
129.07012939453125	364.0
130.07342529296875	172.0
130.2262420654297	184.0
131.08355712890625	476.0
133.101318359375	752.0
134.1094512939453	128.0
134.42735290527344	192.0
135.1152801513672	312.0
136.0823516845703	148.0
137.09423828125	360.0
137.13148498535156	164.0
138.43508911132812	168.0
139.07748413085938	188.0
139.85076904296875	208.0
141.0419158935547	220.0
141.0726318359375	288.0
142.3045654296875	168.0
142.54684448242188	236.0
143.08529663085938	404.0
143.18202209472656	224.0
143.56332397460938	176.0
143.87828063964844	164.0
145.1008758544922	736.0
145.24708557128906	152.0
145.44383239746094	164.0
146.1068878173828	152.0
147.11740112304688	1088.0
147.16268920898438	152.0
147.7354736328125	148.0
148.0961456298828	176.0
148.11703491210938	320.0
148.63919067382812	156.0
148.69500732421875	184.0
148.96694946289062	148.0
149.09571838378906	344.0
149.12841796875	160.0
150.09913635253906	204.0
151.0756072998047	172.0
151.10890197753906	264.0
151.15879821777344	180.0
151.49667358398438	144.0
152.117431640625	144.0
152.19810485839844	188.0
153.01931762695312	168.0
153.4529266357422	144.0
153.49484252929688	156.0
154.66835021972656	184.0
155.08877563476562	228.0
155.20347595214844	156.0
155.56320190429688	176.0
156.51541137695312	156.0
156.94398498535156	144.0
157.10116577148438	760.0
157.32070922851562	184.0
158.10772705078125	152.0
158.61148071289062	180.0
159.1154327392578	1004.0
159.25633239746094	164.0
159.9125518798828	176.0
160.12135314941406	180.0
161.10018920898438	328.0
161.13206481933594	1000.0
162.0387725830078	144.0
163.1160125732422	300.0
163.14590454101562	224.0
164.15469360351562	168.0
165.03956604003906	168.0
168.53265380859375	140.0
169.09974670410156	452.0
169.78294372558594	160.0
170.80886840820312	196.0
171.11886596679688	488.0
172.12539672851562	176.0
173.13360595703125	1076.0
174.54576110839844	148.0
175.00965881347656	172.0
175.10987854003906	336.0
175.14834594726562	1468.0
175.18048095703125	200.0
175.7420196533203	184.0
177.12744140625	892.0
178.12643432617188	328.0
178.7893829345703	160.0
179.13949584960938	140.0
179.8020782470703	144.0
180.95123291015625	124.0
182.1179962158203	156.0
183.1195831298828	104.0
183.50387573242188	152.0
183.5443115234375	188.0
184.12449645996094	216.0
184.57696533203125	156.0
184.90582275390625	216.0
185.13681030273438	492.0
186.13461303710938	172.0
186.73715209960938	152.0
187.10995483398438	176.0
187.14822387695312	1176.0
188.1459197998047	264.0
188.53378295898438	164.0
189.08895874023438	204.0
189.126708984375	332.0
189.16590881347656	580.0
190.1394805908203	180.0
190.16603088378906	192.0
191.1404571533203	212.0
193.80108642578125	120.0
194.279296875	196.0
195.51956176757812	224.0
197.13613891601562	548.0
198.13333129882812	140.0
198.61807250976562	176.0
198.80325317382812	148.0
199.14601135253906	412.0
199.8757781982422	196.0
201.16360473632812	496.0
202.17086791992188	148.0
203.14456176757812	440.0
203.38043212890625	164.0
203.83544921875	144.0
204.95372009277344	240.0
205.28721618652344	140.0
206.2950897216797	160.0
207.35987854003906	152.0
208.0913543701172	220.0
208.70333862304688	144.0
208.8097381591797	192.0
209.13235473632812	124.0
209.5725860595703	176.0
210.6024627685547	148.0
211.14804077148438	568.0
211.50747680664062	176.0
212.8265380859375	160.0
213.166259765625	456.0
214.1631317138672	160.0
215.14764404296875	156.0
215.18783569335938	176.0
215.745849609375	196.0
217.1609344482422	704.0
218.0262451171875	160.0
218.44081115722656	228.0
218.72035217285156	148.0
219.1700439453125	144.0
220.2772674560547	180.0
220.86253356933594	204.0
224.1460418701172	148.0
225.15731811523438	148.0
227.17816162109375	408.0
227.23770141601562	252.0
227.45077514648438	200.0
228.1837615966797	284.0
229.16041564941406	280.0
229.1971435546875	256.0
229.8222198486328	144.0
229.9368896484375	176.0
230.1602783203125	384.0
230.75852966308594	172.0
230.7891082763672	172.0
230.85830688476562	164.0
231.1746368408203	160.0
231.37570190429688	176.0
232.01797485351562	152.0
235.2012939453125	124.0
236.36122131347656	176.0
238.1269989013672	200.0
240.05967712402344	140.0
241.6892852783203	164.0
242.01254272460938	168.0
242.62289428710938	164.0
243.18063354492188	144.0
244.2088165283203	120.0
244.3060760498047	148.0
244.9317626953125	148.0
245.18507385253906	332.0
249.47459411621094	196.0
251.71554565429688	152.0
253.19480895996094	2860.0
254.19700622558594	844.0
254.5083465576172	204.0
255.2012176513672	292.0
255.7768096923828	184.0
256.1748352050781	160.0
256.40106201171875	184.0
256.63067626953125	128.0
256.7016906738281	176.0
260.9497375488281	208.0
262.5500793457031	240.0
263.1018371582031	196.0
263.21160888671875	180.0
269.9642639160156	152.0
271.2048645019531	5172.0
272.20880126953125	1192.0
273.1390380859375	140.0
273.2165832519531	176.0
274.17596435546875	132.0
274.44317626953125	140.0
275.62152099609375	236.0
276.2926940917969	184.0
277.1634521484375	172.0
278.01568603515625	176.0
279.5609436035156	184.0
281.9219970703125	140.0
284.0868225097656	108.0
284.3030090332031	172.0
284.6185607910156	184.0
285.90264892578125	172.0
286.67047119140625	160.0
287.874755859375	148.0
287.9266357421875	100.0
288.1166687011719	300.0
288.2125549316406	300.0
288.28448486328125	204.0
288.36029052734375	212.0
288.4251708984375	100.0
288.4879150390625	176.0
288.5255126953125	120.0
288.6803283691406	156.0
288.81414794921875	408.0
288.9295654296875	236.0
288.9893798828125	176.0
289.0433654785156	188.0
289.0724792480469	304.0
289.1026916503906	232.0
289.1391906738281	264.0
289.1660461425781	288.0
289.17608642578125	356.0
289.218505859375	130284.0
289.29852294921875	204.0
289.37835693359375	112.0
289.4706726074219	180.0
289.5018615722656	100.0
289.5621643066406	120.0
289.7742614746094	1276.0
290.03485107421875	136.0
290.05926513671875	164.0
290.1130065917969	316.0
290.18115234375	268.0
290.2203369140625	26032.0
290.33465576171875	212.0
290.5302429199219	108.0
290.5615234375	260.0
290.7786560058594	196.0
291.0520324707031	132.0
291.0935363769531	160.0
291.1528625488281	224.0
291.2237548828125	3456.0
291.5591735839844	128.0
291.674072265625	180.0
291.80596923828125	196.0
291.9067077636719	136.0
291.99114990234375	248.0
292.0270080566406	148.0
292.0791931152344	208.0
292.1540832519531	156.0
292.2310485839844	572.0
292.2817687988281	292.0
292.3499755859375	240.0
292.42681884765625	108.0
292.9667053222656	128.0
293.1838684082031	144.0
293.4772644042969	148.0
293.6065979003906	140.0
294.6379089355469	112.0
307.2284851074219	340.0
307.6786804199219	152.0
308.2341613769531	104.0
330.2321472167969	148.0
333.3753662109375	144.0
372.1477355957031	176.0
421.22772216796875	120.0
421.27606201171875	188.0
488.1824035644531	156.0
705.6853637695312	180.0
1193.5223388671875	152.0
1252.2183837890625	272.0
1321.4310302734375	168.0
1340.811767578125	220.0
1385.19921875	180.0
1411.463623046875	156.0
1415.2423095703125	148.0
1480.466064453125	148.0
1488.187744140625	140.0
1488.4180908203125	168.0
1507.0350341796875	212.0
1530.4434814453125	200.0
1539.9495849609375	184.0
1541.5667724609375	196.0
1542.0592041015625	156.0
1544.7880859375	184.0
1558.1700439453125	216.0
1587.0255126953125	188.0
1591.3892822265625	220.0
1601.5445556640625	192.0
1605.1387939453125	188.0
1606.9014892578125	148.0
1608.050537109375	148.0
1608.8248291015625	164.0
1626.0101318359375	160.0
1648.874755859375	152.0
1649.2950439453125	140.0
1651.1060791015625	204.0
1655.2088623046875	188.0
1663.705810546875	148.0
1680.5609130859375	188.0
1690.038818359375	192.0
1709.255615234375	164.0
1721.5050048828125	152.0
1728.523193359375	164.0
1729.3756103515625	160.0
1742.8099365234375	272.0
1763.5269775390625	140.0
1776.623291015625	140.0
1808.915771484375	236.0
1810.7784423828125	180.0
1821.966796875	176.0
1822.0772705078125	180.0
1842.3360595703125	144.0
1842.7802734375	144.0
1844.1732177734375	168.0
1860.0535888671875	140.0
1868.6988525390625	164.0
1887.5452880859375	156.0
1890.46044921875	188.0
1900.8939208984375	176.0
1905.6695556640625	164.0
1908.981201171875	176.0
1910.2076416015625	160.0
1926.0284423828125	204.0
1928.579833984375	140.0
1929.6201171875	164.0
1944.3184814453125	148.0
1945.6527099609375	184.0
1983.18701171875	140.0
1998.986328125	196.0
2002.600830078125	184.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079235
PEPMASS=266.169556
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Mirtazapine aka "2-methyl-1,2,3,4,10,14b-hexahydrobenzo[c]pyrazino[1,2-a]pyrido[3,2-f]azepine" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCN2C(C1)c3ccccc3Cc4cccnc24
INCHI=InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
INCHIAUX=RONZAEMNMFQXRA-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079235
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079235
SCANS=1033
44.95570755004883	164.0
45.525997161865234	184.0
45.63618469238281	192.0
46.24053192138672	148.0
46.96199035644531	188.0
47.855491638183594	168.0
49.858699798583984	184.0
50.061279296875	180.0
50.87286376953125	172.0
51.041934967041016	216.0
54.47346878051758	140.0
56.381935119628906	156.0
57.80458068847656	156.0
58.008155822753906	164.0
58.16073226928711	172.0
58.546913146972656	152.0
58.84578323364258	156.0
58.95576095581055	160.0
59.98102951049805	140.0
60.69839096069336	164.0
61.42001724243164	152.0
61.89981460571289	200.0
63.255401611328125	196.0
63.83449935913086	160.0
65.12422943115234	140.0
65.29620361328125	140.0
65.30907440185547	164.0
67.50179290771484	236.0
67.63922119140625	176.0
67.91777801513672	176.0
68.62657165527344	192.0
71.028076171875	160.0
71.20784759521484	116.0
71.33705139160156	228.0
72.60001373291016	172.0
72.83592224121094	192.0
73.33637237548828	168.0
73.62108612060547	152.0
74.63726043701172	172.0
75.27136993408203	220.0
81.49026489257812	172.0
82.04277801513672	148.0
82.74555206298828	232.0
83.50769805908203	148.0
84.9819107055664	152.0
85.07367706298828	148.0
85.59583282470703	168.0
85.91837310791016	160.0
85.95896911621094	188.0
86.04940795898438	196.0
87.9037094116211	180.0
88.09227752685547	152.0
89.36901092529297	168.0
92.05108642578125	160.0
93.05069732666016	184.0
93.97067260742188	144.0
95.8261489868164	176.0
96.26697540283203	172.0
97.62305450439453	148.0
97.87492370605469	232.0
98.21389770507812	284.0
99.3334732055664	228.0
100.46736907958984	156.0
100.81478881835938	160.0
101.36109161376953	184.0
101.52947998046875	196.0
102.81501007080078	172.0
103.54484558105469	164.0
104.06396484375	144.0
104.45008087158203	216.0
104.61490631103516	200.0
105.06847381591797	144.0
105.22447204589844	204.0
106.21698760986328	164.0
106.90320587158203	156.0
107.06622314453125	128.0
108.21600341796875	160.0
109.16312408447266	168.0
113.2082290649414	144.0
113.50914001464844	208.0
113.95487213134766	160.0
114.55268096923828	288.0
115.05657958984375	356.0
115.27595520019531	192.0
116.06198120117188	172.0
116.42203521728516	164.0
116.45425415039062	140.0
116.5724105834961	212.0
116.99613189697266	152.0
117.04779815673828	180.0
119.06394958496094	188.0
121.07540130615234	296.0
122.39817810058594	152.0
123.7671890258789	172.0
124.36796569824219	196.0
126.04940032958984	148.0
127.9221420288086	144.0
128.0392303466797	152.0
128.55548095703125	180.0
129.1021728515625	144.0
129.58656311035156	208.0
130.06423950195312	164.0
131.0666046142578	124.0
131.0885009765625	256.0
131.34841918945312	148.0
132.69078063964844	140.0
133.0767822265625	160.0
133.1979522705078	168.0
133.5726318359375	140.0
133.68075561523438	188.0
135.08865356445312	264.0
135.67405700683594	160.0
135.961669921875	160.0
136.5447998046875	180.0
141.0690460205078	180.0
141.98663330078125	140.0
143.0689239501953	136.0
143.3893280029297	216.0
144.07781982421875	656.0
144.36573791503906	224.0
144.77017211914062	260.0
145.08424377441406	164.0
149.3892059326172	156.0
150.17185974121094	144.0
150.9890899658203	176.0
151.05117797851562	144.0
151.74423217773438	188.0
152.490478515625	188.0
152.74618530273438	216.0
152.76339721679688	164.0
153.35189819335938	148.0
153.37161254882812	156.0
153.42831420898438	144.0
154.2552947998047	204.0
155.08450317382812	208.0
155.1762237548828	144.0
155.40689086914062	160.0
156.06622314453125	172.0
156.0951385498047	224.0
157.0462646484375	156.0
157.086181640625	156.0
159.10301208496094	172.0
160.09889221191406	176.0
160.55250549316406	148.0
162.08187866210938	156.0
163.2953338623047	140.0
163.40216064453125	156.0
164.81723022460938	180.0
165.07012939453125	180.0
166.0701446533203	240.0
167.04771423339844	144.0
167.07667541503906	688.0
167.4080352783203	268.0
168.080322265625	280.0
169.17149353027344	144.0
170.10073852539062	144.0
171.09776306152344	260.0
171.91619873046875	204.0
174.25973510742188	180.0
175.67874145507812	140.0
176.46839904785156	152.0
176.8466796875	140.0
176.87315368652344	196.0
177.06907653808594	164.0
178.06739807128906	552.0
179.0721435546875	192.0
179.44468688964844	168.0
180.0814666748047	1448.0
181.08047485351562	252.0
182.09652709960938	1656.0
182.54266357421875	160.0
182.58837890625	176.0
183.09722900390625	312.0
183.3502655029297	156.0
183.80723571777344	132.0
184.11643981933594	196.0
184.75433349609375	168.0
185.1007843017578	172.0
187.77487182617188	148.0
189.9219207763672	144.0
190.26492309570312	148.0
190.59176635742188	184.0
190.74444580078125	180.0
191.04815673828125	144.0
191.0714874267578	148.0
192.0824432373047	524.0
193.0848388671875	208.0
193.89926147460938	208.0
194.08460998535156	3932.0
194.1577911376953	156.0
194.41354370117188	168.0
194.80836486816406	160.0
194.8328094482422	160.0
194.87890625	108.0
194.94407653808594	212.0
194.98236083984375	136.0
195.0328826904297	228.0
195.0631103515625	336.0
195.092041015625	75120.0
195.1530303955078	108.0
195.19256591796875	228.0
195.43194580078125	104.0
195.53187561035156	140.0
195.5547637939453	144.0
195.8319854736328	100.0
196.09521484375	7184.0
196.43069458007812	212.0
196.6036834716797	228.0
197.09767150878906	688.0
197.25746154785156	104.0
197.41258239746094	116.0
197.57276916503906	136.0
202.19638061523438	164.0
203.07183837890625	148.0
204.08642578125	144.0
204.52000427246094	128.0
205.07530212402344	336.0
206.10140991210938	240.0
206.51531982421875	196.0
207.09197998046875	916.0
207.5233154296875	144.0
208.09536743164062	324.0
209.10745239257812	6556.0
209.39979553222656	176.0
209.46315002441406	164.0
210.11097717285156	1148.0
210.4436798095703	160.0
211.1152801513672	268.0
211.23841857910156	148.0
211.77101135253906	156.0
212.556640625	140.0
213.05313110351562	216.0
213.4222412109375	140.0
217.0836181640625	232.0
217.23939514160156	184.0
217.5269775390625	144.0
218.09335327148438	476.0
219.09104919433594	504.0
219.1356201171875	196.0
220.0982666015625	320.0
221.11488342285156	372.0
221.65896606445312	212.0
222.11256408691406	268.0
223.12315368652344	1364.0
223.22723388671875	100.0
224.12451171875	396.0
224.21165466308594	140.0
224.4143524169922	160.0
230.096923828125	148.0
231.11849975585938	140.0
232.1120147705078	140.0
233.1066436767578	648.0
233.138427734375	128.0
233.62757873535156	208.0
234.11245727539062	236.0
235.1221923828125	2056.0
235.9667205810547	192.0
236.12673950195312	796.0
237.1084747314453	148.0
237.13876342773438	208.0
237.35678100585938	144.0
241.09078979492188	192.0
243.28321838378906	124.0
243.99203491210938	168.0
247.6335906982422	356.0
248.13182067871094	164.0
250.1288604736328	184.0
252.05674743652344	240.0
254.06651306152344	120.0
255.0802459716797	140.0
256.66571044921875	180.0
259.1011657714844	168.0
261.4322814941406	184.0
262.1117248535156	176.0
264.14886474609375	912.0
264.404541015625	180.0
265.1530456542969	480.0
265.1980285644531	216.0
265.46063232421875	164.0
265.53521728515625	184.0
265.6292724609375	192.0
265.7174987792969	124.0
265.7850036621094	240.0
265.81884765625	140.0
265.914794921875	208.0
266.01715087890625	136.0
266.073974609375	212.0
266.1663513183594	89828.0
266.3570861816406	112.0
266.3910827636719	140.0
266.6730651855469	96.0
266.6997375488281	188.0
266.796630859375	100.0
266.8819274902344	168.0
266.9543762207031	140.0
267.0226745605469	164.0
267.0763244628906	220.0
267.1058654785156	156.0
267.1690368652344	11816.0
267.2503967285156	204.0
267.5377197265625	140.0
267.5811462402344	116.0
267.9450988769531	96.0
268.0017395019531	152.0
268.07110595703125	136.0
268.17132568359375	1312.0
268.5220947265625	124.0
268.7371520996094	176.0
268.84039306640625	152.0
268.8999328613281	140.0
268.9735107421875	136.0
269.0819396972656	288.0
269.14227294921875	132.0
277.1270751953125	168.0
380.1535339355469	204.0
380.1806945800781	148.0
397.1936340332031	156.0
1054.1737060546875	244.0
1099.2137451171875	160.0
1444.85888671875	216.0
1549.4150390625	188.0
1642.86767578125	228.0
1697.6817626953125	152.0
1712.474853515625	228.0
1769.625732421875	168.0
1772.892578125	152.0
1782.685791015625	168.0
1923.749755859375	200.0
1927.6888427734375	240.0
1949.623291015625	152.0
1954.0902099609375	168.0
1966.5152587890625	196.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079236
PEPMASS=156.071274
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine" [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Clc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1
INCHI=InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
INCHIAUX=JAUOIFJMECXRGI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079236
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079236
SCANS=1034
45.269859313964844	148.0
46.56999588012695	164.0
47.228336334228516	160.0
47.54482650756836	144.0
48.05258560180664	156.0
48.427207946777344	208.0
48.87978744506836	204.0
49.01346206665039	144.0
50.009185791015625	188.0
50.58792495727539	184.0
50.6569938659668	212.0
50.67006301879883	140.0
50.783470153808594	224.0
51.328147888183594	192.0
51.55512237548828	148.0
52.84497833251953	140.0
52.99990463256836	148.0
53.24797058105469	180.0
54.26654052734375	216.0
54.375091552734375	248.0
54.3897705078125	160.0
54.47200012207031	180.0
54.486690521240234	156.0
55.09809494018555	176.0
55.20895004272461	196.0
55.386558532714844	256.0
56.28632736206055	152.0
58.568233489990234	152.0
58.60936737060547	160.0
62.317047119140625	188.0
62.61750411987305	156.0
63.51051330566406	152.0
64.56328582763672	152.0
64.75212860107422	204.0
65.76505279541016	148.0
65.85062408447266	176.0
65.88455200195312	172.0
65.96372985839844	172.0
66.15138244628906	180.0
67.01537322998047	212.0
67.69816589355469	144.0
67.94567108154297	216.0
68.31859588623047	164.0
68.99639892578125	156.0
72.5254135131836	148.0
72.87522888183594	148.0
73.8124771118164	152.0
75.40265655517578	156.0
76.69746398925781	196.0
78.22492980957031	144.0
78.73448944091797	172.0
79.13943481445312	192.0
79.81724548339844	204.0
80.310546875	156.0
80.49972534179688	160.0
80.7070083618164	296.0
81.87520599365234	152.0
82.2646713256836	176.0
83.4385986328125	204.0
83.96849060058594	164.0
84.95256042480469	168.0
85.08101654052734	164.0
85.51114654541016	144.0
86.29328918457031	156.0
86.55233001708984	152.0
87.02143096923828	176.0
88.03036499023438	340.0
88.3091049194336	156.0
88.89924621582031	272.0
89.04004669189453	240.0
90.0230941772461	148.0
91.43736267089844	156.0
91.46971893310547	196.0
92.51007843017578	144.0
92.79744720458984	212.0
92.82428741455078	196.0
93.05949401855469	236.0
93.62178802490234	148.0
94.03821563720703	184.0
94.53605651855469	308.0
95.08333587646484	168.0
95.53532409667969	548.0
95.73070526123047	216.0
96.03863525390625	196.0
96.5438003540039	952.0
97.04409790039062	184.0
97.55620574951172	192.0
97.90840148925781	224.0
98.3066177368164	176.0
98.54159545898438	184.0
99.70674896240234	140.0
100.03103637695312	152.0
100.29986572265625	188.0
100.51325988769531	164.0
100.55716705322266	140.0
101.03794860839844	276.0
101.29497528076172	228.0
101.53148651123047	160.0
101.5495376586914	176.0
102.03910827636719	1252.0
102.54458618164062	1988.0
103.0464096069336	660.0
103.53182220458984	232.0
103.7292251586914	140.0
104.24677276611328	144.0
104.88379669189453	140.0
105.4859619140625	148.0
106.53594970703125	192.0
106.95054626464844	164.0
107.0370101928711	224.0
107.07478332519531	128.0
107.53702545166016	696.0
107.56892395019531	192.0
107.64737701416016	180.0
108.04216003417969	216.0
108.13113403320312	144.0
108.42729187011719	180.0
108.4832534790039	192.0
108.50399017333984	176.0
108.54438781738281	9512.0
108.59846496582031	100.0
109.00420379638672	144.0
109.04593658447266	1536.0
109.07972717285156	172.0
109.49932098388672	216.0
109.55142974853516	2512.0
110.05164337158203	380.0
110.57662200927734	160.0
111.2662582397461	152.0
111.55406951904297	168.0
112.00648498535156	140.0
112.15398406982422	148.0
112.48725891113281	164.0
113.02942657470703	200.0
113.52572631835938	624.0
114.04042053222656	1508.0
114.31421661376953	172.0
114.33124542236328	176.0
114.5429916381836	3384.0
115.02180480957031	148.0
115.04776763916016	4044.0
115.551025390625	3624.0
115.89649200439453	176.0
116.05439758300781	1984.0
116.54295349121094	552.0
116.55750274658203	708.0
116.65547180175781	204.0
116.98295593261719	204.0
117.05935668945312	396.0
117.08656311035156	152.0
117.1921157836914	224.0
117.55436706542969	184.0
117.95392608642578	148.0
118.06861877441406	396.0
118.52527618408203	208.0
118.71385955810547	140.0
118.82439422607422	96.0
118.97422790527344	196.0
119.52410888671875	168.0
120.04690551757812	256.0
120.46595764160156	148.0
120.54401397705078	4116.0
120.7173080444336	200.0
121.04717254638672	2256.0
121.20106506347656	228.0
121.2448959350586	144.0
121.31187438964844	164.0
121.43563079833984	200.0
121.51300811767578	160.0
121.5517349243164	7632.0
121.60708618164062	136.0
122.05451202392578	4244.0
122.50169372558594	148.0
122.55863189697266	6516.0
122.8798599243164	104.0
123.04170227050781	152.0
123.06013488769531	1028.0
123.56632232666016	836.0
123.64466857910156	172.0
124.0671157836914	264.0
124.55226135253906	188.0
124.57225799560547	192.0
124.87454986572266	192.0
124.93354034423828	108.0
125.0157699584961	1196.0
125.48023986816406	188.0
126.01918029785156	160.0
126.53125762939453	452.0
127.0120620727539	472.0
127.04850769042969	680.0
127.15343475341797	248.0
127.20056915283203	140.0
127.55191040039062	1400.0
127.67845916748047	196.0
128.05738830566406	724.0
128.55978393554688	2672.0
129.06088256835938	1140.0
129.53219604492188	184.0
129.5675048828125	4116.0
129.66134643554688	176.0
130.07012939453125	3120.0
130.57127380371094	876.0
130.65135192871094	172.0
131.066162109375	128.0
131.64968872070312	208.0
132.0785675048828	556.0
132.5028533935547	220.0
132.52566528320312	188.0
133.034912109375	224.0
133.53988647460938	956.0
133.58567810058594	160.0
133.71014404296875	164.0
134.03965759277344	360.0
134.08607482910156	176.0
134.53355407714844	212.0
134.75064086914062	196.0
135.56744384765625	200.0
137.04063415527344	164.0
137.46966552734375	152.0
137.6774444580078	152.0
138.0792999267578	368.0
138.65533447265625	180.0
139.05416870117188	144.0
139.22366333007812	204.0
139.40396118164062	148.0
139.539306640625	232.0
139.92613220214844	148.0
140.0426483154297	556.0
140.5428009033203	192.0
141.04116821289062	208.0
141.07003784179688	396.0
141.5471649169922	296.0
142.07456970214844	192.0
142.5506591796875	176.0
143.0777130126953	288.0
143.56573486328125	276.0
143.7017059326172	148.0
144.08074951171875	220.0
144.14581298828125	204.0
144.75100708007812	172.0
145.0432891845703	160.0
145.0912322998047	152.0
145.45826721191406	188.0
145.53749084472656	188.0
146.0157012939453	172.0
146.05899047851562	196.0
146.0871124267578	180.0
146.4007568359375	148.0
146.4754180908203	240.0
146.54742431640625	356.0
146.8249053955078	208.0
147.05409240722656	276.0
147.55645751953125	776.0
147.84439086914062	184.0
148.05706787109375	192.0
148.55941772460938	372.0
149.0398712158203	168.0
149.05686950683594	160.0
149.5164794921875	192.0
150.0279998779297	176.0
150.04783630371094	368.0
151.0161590576172	188.0
151.03982543945312	168.0
151.72952270507812	216.0
152.060546875	536.0
152.39218139648438	228.0
152.954833984375	196.0
153.06796264648438	140.0
153.45542907714844	220.0
153.88966369628906	188.0
154.0670928955078	332.0
154.1094970703125	140.0
154.5001220703125	172.0
154.89866638183594	160.0
155.07081604003906	316.0
155.173583984375	172.0
155.3936309814453	152.0
155.62806701660156	108.0
155.6663055419922	156.0
155.70726013183594	240.0
155.78807067871094	112.0
155.8728485107422	196.0
155.8941192626953	236.0
155.9671630859375	176.0
155.9988555908203	144.0
156.0220184326172	224.0
156.04429626464844	432.0
156.06993103027344	150052.0
156.10926818847656	132.0
156.1635284423828	260.0
156.20657348632812	244.0
156.23651123046875	220.0
156.24664306640625	172.0
156.28799438476562	156.0
156.32838439941406	296.0
156.39263916015625	204.0
156.419677734375	180.0
156.44960021972656	180.0
156.47744750976562	1948.0
156.5102081298828	148.0
156.57083129882812	29048.0
156.6988983154297	104.0
156.73684692382812	312.0
156.83010864257812	120.0
156.9127655029297	180.0
156.9435272216797	104.0
156.98605346679688	164.0
157.06829833984375	50620.0
157.1851806640625	100.0
157.224609375	296.0
157.24986267089844	100.0
157.28025817871094	196.0
157.30194091796875	152.0
157.353515625	160.0
157.42626953125	188.0
157.47891235351562	116.0
157.4966583251953	144.0
157.56927490234375	12440.0
157.63670349121094	104.0
157.73716735839844	112.0
157.758056640625	136.0
157.78799438476562	164.0
157.82437133789062	180.0
157.90057373046875	132.0
157.9473419189453	196.0
158.0093231201172	116.0
158.0333709716797	240.0
158.0690155029297	776.0
158.0978546142578	208.0
158.12554931640625	108.0
158.16648864746094	228.0
158.20005798339844	144.0
158.2359619140625	168.0
158.29580688476562	328.0
158.34205627441406	248.0
158.38494873046875	124.0
158.4219970703125	108.0
158.4418182373047	228.0
158.55638122558594	156.0
158.57391357421875	316.0
158.72621154785156	100.0
158.7567596435547	240.0
158.87384033203125	144.0
159.00027465820312	140.0
159.33448791503906	128.0
159.5352783203125	160.0
159.6392059326172	132.0
159.75927734375	108.0
161.04611206054688	168.0
161.28216552734375	216.0
161.7931365966797	196.0
162.01600646972656	168.0
162.0426483154297	124.0
162.2060546875	144.0
163.05384826660156	296.0
163.1122589111328	180.0
163.57012939453125	148.0
164.04295349121094	188.0
164.061767578125	260.0
164.76121520996094	108.0
164.9833526611328	160.0
165.04656982421875	180.0
165.07330322265625	4356.0
165.5738983154297	452.0
166.0740966796875	668.0
167.04896545410156	256.0
167.07656860351562	656.0
168.05386352539062	328.0
168.08096313476562	344.0
169.08718872070312	160.0
169.2750701904297	260.0
169.38902282714844	140.0
169.45118713378906	204.0
170.05593872070312	196.0
170.09413146972656	608.0
171.10035705566406	264.0
171.8666229248047	144.0
172.58229064941406	152.0
173.10699462890625	140.0
173.88160705566406	168.0
173.9104766845703	152.0
174.06536865234375	148.0
174.5883026123047	160.0
175.0352783203125	164.0
175.05340576171875	400.0
176.0402374267578	100.0
176.0641632080078	376.0
176.1354217529297	156.0
176.52127075195312	160.0
176.5812530517578	724.0
177.06106567382812	588.0
177.08102416992188	424.0
177.4453582763672	180.0
177.58291625976562	336.0
177.99989318847656	168.0
178.07232666015625	568.0
178.28147888183594	212.0
178.76812744140625	148.0
179.073486328125	516.0
180.07920837402344	928.0
180.85806274414062	144.0
181.08518981933594	292.0
182.0955047607422	144.0
182.1744384765625	192.0
182.3114776611328	144.0
183.0862579345703	176.0
184.11643981933594	152.0
185.0412139892578	176.0
185.1847381591797	248.0
186.03424072265625	216.0
186.05787658691406	144.0
187.05209350585938	284.0
188.83181762695312	208.0
189.04788208007812	176.0
189.07273864746094	1100.0
189.3025360107422	208.0
189.66143798828125	160.0
190.0398712158203	156.0
190.0674591064453	564.0
191.07278442382812	1132.0
192.08067321777344	2064.0
193.08705139160156	2236.0
193.158447265625	176.0
193.39364624023438	148.0
193.82444763183594	192.0
194.09347534179688	764.0
194.2110137939453	216.0
194.32383728027344	184.0
195.09927368164062	136.0
196.9833984375	140.0
199.03060913085938	264.0
199.05340576171875	320.0
200.0636749267578	552.0
200.9022674560547	188.0
200.97845458984375	220.0
201.03549194335938	364.0
201.06202697753906	172.0
202.07290649414062	780.0
203.02362060546875	344.0
203.07333374023438	1000.0
204.0811309814453	6688.0
204.1453399658203	208.0
204.66038513183594	188.0
205.002197265625	176.0
205.08543395996094	1188.0
205.8208770751953	156.0
205.98080444335938	192.0
206.06503295898438	120.0
206.09530639648438	1312.0
206.2694091796875	228.0
207.1011199951172	472.0
208.11724853515625	324.0
208.9737548828125	328.0
210.1117706298828	152.0
211.06629943847656	240.0
212.05528259277344	136.0
212.20278930664062	148.0
212.53924560546875	192.0
213.03404235839844	528.0
213.06861877441406	624.0
213.94786071777344	144.0
214.04122924804688	3712.0
214.36073303222656	172.0
214.59051513671875	144.0
215.04354858398438	776.0
215.07470703125	644.0
215.3981475830078	180.0
216.03656005859375	956.0
216.08230590820312	6164.0
216.25906372070312	184.0
216.40170288085938	124.0
217.0138397216797	136.0
217.04248046875	188.0
217.08840942382812	7540.0
217.9880828857422	140.0
218.0330352783203	136.0
218.0961456298828	7460.0
218.3994140625	176.0
219.1037139892578	3508.0
220.11036682128906	852.0
220.70162963867188	112.0
221.1239013671875	332.0
221.14663696289062	260.0
222.05323791503906	232.0
226.00633239746094	188.0
226.0418243408203	776.0
227.0490264892578	1752.0
228.0581817626953	3424.0
229.06915283203125	1228.0
229.08596801757812	1788.0
229.2453155517578	200.0
230.05532836914062	492.0
230.0960693359375	10752.0
230.31434631347656	160.0
230.42007446289062	188.0
230.9672393798828	184.0
231.0372772216797	184.0
231.0613250732422	540.0
231.10354614257812	6556.0
232.1121063232422	13212.0
232.36813354492188	172.0
232.51309204101562	112.0
233.11790466308594	3108.0
234.1236114501953	624.0
234.8442840576172	120.0
234.93446350097656	192.0
235.1283416748047	564.0
235.7405242919922	184.0
238.0404510498047	488.0
239.03395080566406	216.0
239.0597686767578	336.0
239.22784423828125	172.0
240.05787658691406	388.0
241.0572967529297	256.0
241.08457946777344	192.0
242.0590362548828	144.0
242.09678649902344	748.0
242.74696350097656	228.0
243.0629119873047	156.0
243.10365295410156	1780.0
244.0728759765625	128.0
244.11106872558594	1876.0
244.8446044921875	272.0
245.11781311035156	1072.0
246.1274871826172	13504.0
246.81195068359375	144.0
246.91062927246094	176.0
247.0638885498047	164.0
247.1342010498047	6748.0
247.3298797607422	176.0
248.1385040283203	1024.0
248.17257690429688	164.0
248.20895385742188	120.0
249.05007934570312	204.0
249.14393615722656	328.0
249.35009765625	144.0
249.82139587402344	156.0
250.03807067871094	444.0
250.9614715576172	168.0
251.04930114746094	2096.0
252.0572967529297	5356.0
252.10313415527344	176.0
252.99098205566406	156.0
253.0624542236328	1420.0
253.17340087890625	196.0
254.06826782226562	1496.0
255.06971740722656	452.0
256.06866455078125	536.0
256.1060485839844	312.0
256.1366882324219	160.0
257.0835876464844	208.0
257.1141357421875	200.0
258.06103515625	140.0
258.0877380371094	136.0
258.1253356933594	892.0
259.1351623535156	1020.0
260.1307067871094	120.0
260.1658935546875	196.0
262.0463562011719	276.0
264.057373046875	408.0
265.0629577636719	680.0
266.0253601074219	248.0
266.07373046875	6108.0
266.25244140625	208.0
266.912109375	156.0
267.08050537109375	7956.0
268.0757751464844	2532.0
269.0774841308594	2008.0
269.2764892578125	120.0
270.083251953125	680.0
270.1028747558594	928.0
271.0987243652344	448.0
276.0645446777344	188.0
278.07574462890625	648.0
279.0811767578125	1016.0
280.08544921875	828.0
281.0819091796875	420.0
282.02899169921875	152.0
282.1045227050781	3692.0
283.1080017089844	568.0
284.1014099121094	620.0
285.1019592285156	244.0
292.09820556640625	280.0
294.1051940917969	396.0
295.10394287109375	116.0
296.1014709472656	256.0
312.0757141113281	188.0
312.1460266113281	172.0
414.5205993652344	120.0
422.53936767578125	140.0
927.5350341796875	220.0
1024.9761962890625	156.0
1106.212890625	196.0
1203.7137451171875	196.0
1263.8240966796875	148.0
1284.8045654296875	156.0
1286.331787109375	164.0
1348.78955078125	184.0
1371.7137451171875	196.0
1418.1641845703125	268.0
1428.8648681640625	148.0
1460.08251953125	196.0
1468.315185546875	148.0
1485.386962890625	156.0
1491.6605224609375	204.0
1493.390625	196.0
1502.73583984375	152.0
1528.2255859375	236.0
1563.3206787109375	152.0
1585.2740478515625	216.0
1629.4874267578125	140.0
1701.308349609375	172.0
1715.5731201171875	212.0
1729.276611328125	188.0
1759.2005615234375	268.0
1762.833740234375	144.0
1778.37744140625	168.0
1786.05712890625	228.0
1799.9627685546875	264.0
1821.015869140625	180.0
1857.1966552734375	164.0
1858.861083984375	192.0
1870.971435546875	176.0
1874.1580810546875	168.0
1884.5291748046875	236.0
1886.27490234375	148.0
1898.6214599609375	152.0
1922.4580078125	220.0
1926.2647705078125	184.0
1932.7342529296875	148.0
1934.2132568359375	188.0
1941.7132568359375	140.0
1977.3065185546875	152.0
1982.0797119140625	152.0
1993.997802734375	212.0
1996.38037109375	140.0
1997.12744140625	184.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079237
PEPMASS=311.135345
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Clc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1
INCHI=InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
INCHIAUX=JAUOIFJMECXRGI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079237
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079237
SCANS=1036
45.64559555053711	164.0
45.97563934326172	172.0
46.08906936645508	168.0
47.67116928100586	140.0
47.81816864013672	108.0
48.008445739746094	148.0
48.190650939941406	180.0
48.72267150878906	176.0
49.446372985839844	168.0
52.0077018737793	164.0
55.00358200073242	188.0
55.711421966552734	168.0
59.87163543701172	140.0
60.261898040771484	200.0
62.90289306640625	204.0
63.5596923828125	168.0
63.785213470458984	144.0
64.19438934326172	176.0
68.77174377441406	148.0
68.99308776855469	156.0
69.82049560546875	164.0
71.41608428955078	152.0
71.46991729736328	168.0
71.79165649414062	192.0
72.37125396728516	156.0
74.04178619384766	188.0
76.08860778808594	184.0
77.83111572265625	148.0
83.8773193359375	192.0
84.657470703125	176.0
85.31616973876953	216.0
87.7134780883789	220.0
89.2354736328125	160.0
89.71366119384766	152.0
90.81417846679688	216.0
93.80867767333984	188.0
93.93402099609375	160.0
95.78913116455078	172.0
96.7205581665039	148.0
96.8791732788086	172.0
98.332275390625	208.0
99.24422454833984	232.0
100.06280517578125	152.0
100.17034149169922	196.0
101.41119384765625	148.0
102.30103302001953	184.0
102.9038314819336	204.0
104.38906860351562	216.0
104.50907897949219	172.0
107.32135772705078	140.0
107.7940444946289	148.0
108.69065856933594	144.0
109.07500457763672	728.0
111.57088470458984	148.0
112.9965591430664	156.0
113.39253997802734	164.0
115.93292236328125	160.0
116.4778823852539	176.0
118.04256439208984	144.0
119.1262435913086	184.0
119.20011138916016	172.0
119.4566650390625	176.0
120.11669158935547	144.0
121.3457260131836	156.0
121.4268569946289	160.0
122.0395278930664	172.0
123.16123962402344	160.0
126.5504379272461	144.0
127.85687255859375	152.0
127.97167205810547	228.0
128.80157470703125	148.0
130.064453125	176.0
132.54867553710938	188.0
135.02108764648438	172.0
135.62074279785156	212.0
135.961669921875	148.0
136.77049255371094	152.0
143.06300354003906	160.0
144.07852172851562	204.0
144.72467041015625	196.0
147.60731506347656	152.0
148.4306182861328	176.0
148.75814819335938	176.0
149.71124267578125	152.0
151.0364990234375	184.0
152.11221313476562	320.0
154.0724334716797	184.0
155.19110107421875	180.0
155.5135955810547	152.0
156.9764404296875	168.0
157.15353393554688	144.0
157.66293334960938	152.0
161.28216552734375	188.0
161.63621520996094	140.0
163.05380249023438	176.0
164.4469451904297	256.0
165.33377075195312	176.0
166.0152130126953	192.0
166.07933044433594	156.0
167.05029296875	180.0
167.61154174804688	220.0
168.07887268066406	168.0
168.1866455078125	168.0
171.9631805419922	144.0
172.18508911132812	188.0
173.75564575195312	256.0
175.81594848632812	176.0
177.09027099609375	160.0
177.9308624267578	156.0
180.09100341796875	160.0
181.1215057373047	204.0
182.74708557128906	148.0
184.27581787109375	152.0
185.6345977783203	164.0
186.94940185546875	152.0
188.7169647216797	236.0
188.84823608398438	144.0
189.0780487060547	232.0
189.61483764648438	148.0
190.07005310058594	152.0
191.16921997070312	156.0
191.33160400390625	148.0
192.08233642578125	360.0
192.63600158691406	156.0
193.09068298339844	320.0
194.08621215820312	144.0
195.4778594970703	212.0
200.76124572753906	152.0
201.02923583984375	152.0
202.44834899902344	200.0
202.5843048095703	196.0
203.2505645751953	140.0
204.05039978027344	148.0
204.0991973876953	424.0
207.08201599121094	156.0
207.2281036376953	200.0
211.38308715820312	232.0
212.8933868408203	140.0
213.0327911376953	188.0
214.0408935546875	392.0
215.0360870361328	140.0
215.0798797607422	184.0
215.12074279785156	236.0
215.94140625	144.0
216.040283203125	144.0
216.0814208984375	192.0
217.08580017089844	536.0
218.09556579589844	248.0
219.10195922851562	592.0
219.27886962890625	144.0
219.48046875	160.0
220.04696655273438	152.0
220.10731506347656	168.0
222.58148193359375	160.0
224.11927795410156	236.0
226.04669189453125	304.0
227.0487823486328	148.0
227.08152770996094	100.0
227.93133544921875	184.0
228.05490112304688	248.0
229.0634307861328	528.0
229.16799926757812	256.0
230.05044555664062	256.0
230.0860595703125	424.0
230.09490966796875	452.0
230.92489624023438	176.0
231.10203552246094	1156.0
231.7816162109375	204.0
232.07411193847656	144.0
232.11135864257812	812.0
233.12210083007812	636.0
233.484619140625	152.0
234.12249755859375	152.0
234.8951416015625	188.0
237.09622192382812	152.0
237.60829162597656	216.0
237.90597534179688	164.0
238.03997802734375	260.0
238.6217803955078	148.0
240.05291748046875	96.0
241.04135131835938	176.0
241.08460998535156	292.0
241.50198364257812	236.0
241.7897186279297	244.0
242.0701446533203	236.0
242.09475708007812	108.0
242.28823852539062	176.0
242.44937133789062	220.0
243.06768798828125	112.0
243.1045379638672	3432.0
243.23486328125	168.0
243.6719207763672	144.0
243.76202392578125	152.0
243.82418823242188	184.0
244.1107635498047	2248.0
244.16305541992188	148.0
244.6826934814453	168.0
245.1195831298828	808.0
245.7423553466797	184.0
246.1300811767578	1060.0
246.82618713378906	248.0
247.1353759765625	1344.0
247.63836669921875	196.0
247.91241455078125	188.0
248.134765625	288.0
248.22274780273438	192.0
248.63055419921875	196.0
249.1468963623047	152.0
250.28089904785156	212.0
250.94642639160156	136.0
252.0549774169922	1088.0
253.06558227539062	2180.0
253.1797332763672	216.0
254.06263732910156	280.0
255.0614471435547	552.0
255.13380432128906	156.0
255.2360382080078	152.0
255.46820068359375	148.0
255.8946533203125	172.0
256.0569763183594	324.0
256.1107177734375	500.0
256.3278503417969	152.0
257.00372314453125	124.0
257.11822509765625	888.0
257.4730529785156	228.0
257.5631408691406	140.0
258.1278991699219	15428.0
258.2752990722656	200.0
258.3008728027344	156.0
258.35626220703125	140.0
258.62628173828125	168.0
258.7221374511719	108.0
258.84814453125	172.0
258.96160888671875	96.0
259.05120849609375	208.0
259.0891418457031	312.0
259.1361999511719	68900.0
259.373046875	124.0
259.4613342285156	168.0
259.7139587402344	216.0
259.777587890625	156.0
259.9144287109375	112.0
260.0935363769531	148.0
260.1393737792969	10316.0
260.6725769042969	164.0
260.7811279296875	120.0
261.1421203613281	1004.0
261.8818664550781	124.0
262.1149597167969	176.0
262.1471862792969	148.0
262.4533996582031	188.0
264.0593566894531	340.0
264.11334228515625	176.0
264.87640380859375	188.0
265.0636291503906	280.0
265.1251220703125	840.0
265.6227722167969	192.0
266.0726013183594	2352.0
266.9982604980469	212.0
267.080810546875	7008.0
267.2406311035156	152.0
268.0841369628906	2004.0
269.0779113769531	1820.0
270.083740234375	1064.0
270.1343994140625	172.0
270.2119140625	172.0
270.32086181640625	168.0
270.59625244140625	128.0
271.1133728027344	152.0
272.10723876953125	168.0
272.4619140625	172.0
273.63909912109375	312.0
273.675537109375	216.0
274.1235046386719	140.0
276.0565185546875	108.0
277.0678405761719	228.0
278.07305908203125	968.0
278.5842590332031	124.0
278.69647216796875	180.0
279.0828857421875	5828.0
279.3624267578125	168.0
279.6408996582031	348.0
280.0874328613281	4968.0
280.93707275390625	184.0
281.0890808105469	2140.0
282.10406494140625	11096.0
282.3685302734375	188.0
282.63702392578125	168.0
283.1061706542969	2220.0
284.10174560546875	3596.0
284.2091064453125	168.0
285.10528564453125	384.0
287.40899658203125	160.0
289.6097717285156	164.0
291.06463623046875	188.0
291.91754150390625	268.0
292.0878601074219	2416.0
293.09613037109375	1624.0
294.1044921875	17080.0
294.32879638671875	200.0
295.1067199707031	3080.0
295.4921875	112.0
296.10308837890625	4292.0
296.6051330566406	168.0
296.6462707519531	164.0
296.95831298828125	272.0
297.1034240722656	632.0
301.1345520019531	348.0
302.1356201171875	172.0
304.1097717285156	152.0
306.61138916015625	156.0
307.8742980957031	160.0
308.63177490234375	180.0
308.9673156738281	112.0
309.1147766113281	388.0
310.05657958984375	100.0
310.1400451660156	208.0
310.5762023925781	144.0
310.69732666015625	156.0
310.7901916503906	252.0
310.8695373535156	104.0
310.9410705566406	168.0
311.0298156738281	216.0
311.0748596191406	312.0
311.13201904296875	81848.0
311.2384948730469	176.0
311.3016357421875	148.0
311.3518371582031	340.0
311.6500244140625	284.0
312.00494384765625	188.0
312.1344299316406	11004.0
312.9253845214844	100.0
313.05743408203125	192.0
313.12896728515625	19120.0
313.6143493652344	104.0
313.6997985839844	144.0
313.9870300292969	120.0
314.0830383300781	164.0
314.1314697265625	2072.0
314.2131652832031	144.0
314.3248596191406	132.0
314.9742431640625	156.0
323.6215515136719	124.0
347.12359619140625	176.0
417.7296142578125	160.0
421.5621337890625	160.0
453.153076171875	140.0
478.3992004394531	152.0
629.7097778320312	160.0
694.6261596679688	252.0
791.4912719726562	120.0
1827.3828125	184.0
2000.2772216796875	156.0
2002.5389404296875	228.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079238
PEPMASS=321.024292
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O
INCHI=InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)
INCHIAUX=DIWRORZWFLOCLC-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079238
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079238
SCANS=1252
47.892642974853516	176.0
47.9050407409668	140.0
50.507232666015625	156.0
51.8241081237793	140.0
54.14780807495117	152.0
57.969600677490234	152.0
61.84028625488281	208.0
69.8620376586914	164.0
69.97520446777344	152.0
70.08846282958984	140.0
71.49174499511719	168.0
74.65440368652344	168.0
78.2565689086914	164.0
80.71588897705078	204.0
83.65321350097656	148.0
86.38570404052734	144.0
86.98052978515625	176.0
87.3447265625	204.0
88.08101654052734	208.0
89.0944595336914	148.0
89.63027954101562	152.0
89.88523864746094	184.0
90.22142791748047	208.0
92.6440658569336	168.0
92.95658874511719	152.0
93.05732727050781	300.0
94.05938720703125	192.0
94.69551849365234	256.0
95.73453521728516	160.0
97.64265441894531	148.0
97.8177719116211	148.0
99.03013610839844	180.0
99.71065521240234	276.0
99.90950012207031	172.0
100.0229263305664	144.0
102.03658294677734	276.0
102.6031494140625	172.0
102.8532943725586	188.0
102.88948059082031	164.0
103.03907775878906	180.0
104.0111083984375	144.0
104.16746520996094	160.0
107.22234344482422	208.0
108.34848022460938	148.0
108.37126922607422	176.0
108.53501892089844	148.0
111.0123062133789	148.0
111.79166412353516	160.0
114.0291748046875	192.0
114.28861236572266	204.0
114.58242797851562	144.0
115.95213317871094	144.0
116.29529571533203	168.0
117.43778991699219	144.0
118.05500793457031	528.0
120.29554748535156	180.0
120.6122817993164	176.0
121.10240173339844	164.0
122.68672180175781	140.0
123.36886596679688	172.0
123.88449096679688	160.0
125.82596588134766	160.0
126.02696990966797	172.0
127.01873016357422	184.0
127.64083099365234	140.0
128.0267791748047	1772.0
129.06590270996094	156.0
129.85169982910156	140.0
129.99008178710938	160.0
130.02365112304688	180.0
130.48297119140625	164.0
131.31182861328125	172.0
133.11976623535156	180.0
133.89016723632812	180.0
134.5265350341797	144.0
136.8309326171875	160.0
137.07781982421875	172.0
137.15939331054688	228.0
138.01036071777344	3892.0
139.0115966796875	516.0
139.8036346435547	160.0
140.00775146484375	1560.0
141.01036071777344	148.0
143.08909606933594	228.0
144.0907745361328	168.0
145.7151336669922	152.0
146.229736328125	208.0
148.04037475585938	208.0
148.08396911621094	140.0
148.73133850097656	180.0
149.71844482421875	168.0
150.46214294433594	196.0
150.76747131347656	168.0
151.13182067871094	192.0
151.78091430664062	156.0
152.0188446044922	176.0
153.02198791503906	800.0
153.1793212890625	236.0
154.0673828125	172.0
155.02212524414062	152.0
156.0208740234375	428.0
162.1476593017578	144.0
162.36314392089844	176.0
163.0053253173828	3544.0
163.65402221679688	156.0
164.00833129882812	416.0
164.0534210205078	188.0
164.2656707763672	164.0
164.88101196289062	156.0
165.0028076171875	1116.0
165.1162109375	164.0
165.9817657470703	160.0
166.0061492919922	632.0
166.06549072265625	160.0
167.0115966796875	156.0
168.00083923339844	128.0
168.6462860107422	184.0
169.81399536132812	140.0
170.86082458496094	192.0
170.98312377929688	152.0
171.44146728515625	200.0
171.7647705078125	232.0
173.16574096679688	156.0
173.49066162109375	168.0
173.57455444335938	144.0
173.6925811767578	216.0
173.80276489257812	172.0
174.24647521972656	188.0
174.8091583251953	156.0
177.054931640625	260.0
179.0448760986328	164.0
180.0155792236328	172.0
180.44308471679688	148.0
181.01913452148438	180.0
181.5339813232422	192.0
181.994384765625	236.0
183.7330322265625	144.0
184.07852172851562	184.0
184.91116333007812	152.0
186.6337432861328	176.0
187.10986328125	184.0
188.02847290039062	176.0
189.1299285888672	176.0
193.07810974121094	148.0
193.9890594482422	176.0
194.0844268798828	1992.0
194.120361328125	112.0
195.0894775390625	456.0
195.36366271972656	168.0
195.43878173828125	176.0
196.36642456054688	160.0
197.07325744628906	152.0
197.25433349609375	148.0
197.5283660888672	140.0
198.8396453857422	148.0
199.2130889892578	204.0
199.5812530517578	200.0
200.08099365234375	168.0
201.57411193847656	172.0
203.48316955566406	180.0
204.07273864746094	140.0
204.9393768310547	152.0
205.0745849609375	512.0
205.57810974121094	204.0
206.00067138671875	160.0
206.0557403564453	404.0
206.103515625	168.0
207.06764221191406	128.0
207.17640686035156	144.0
208.68600463867188	204.0
210.68614196777344	156.0
210.94332885742188	160.0
212.03451538085938	152.0
212.88162231445312	168.0
213.02639770507812	132.0
214.04483032226562	812.0
215.4418182373047	176.0
216.04502868652344	180.0
218.34071350097656	188.0
221.07049560546875	172.0
222.07089233398438	168.0
223.08045959472656	140.0
223.55931091308594	172.0
228.7703094482422	168.0
228.9727783203125	148.0
229.0535888671875	29992.0
229.1394805908203	164.0
229.461181640625	124.0
229.60191345214844	144.0
229.98646545410156	96.0
230.05618286132812	3876.0
230.34185791015625	152.0
230.63739013671875	216.0
231.05047607421875	6596.0
231.29774475097656	104.0
231.50112915039062	140.0
231.6330108642578	148.0
231.708740234375	184.0
231.74322509765625	116.0
232.0537109375	588.0
233.440673828125	160.0
239.0377655029297	1208.0
240.0446319580078	340.0
241.03070068359375	316.0
241.25753784179688	144.0
241.89479064941406	156.0
241.96600341796875	140.0
243.02220153808594	148.0
246.11672973632812	176.0
248.0142822265625	368.0
248.4672393798828	212.0
249.0542449951172	164.0
250.01963806152344	592.0
251.46603393554688	148.0
251.90809631347656	160.0
252.01058959960938	156.0
255.03558349609375	144.0
255.66529846191406	180.0
256.2509460449219	104.0
257.0455322265625	764.0
258.0444030761719	188.0
259.0430603027344	300.0
260.0452575683594	176.0
260.7374572753906	144.0
263.0162048339844	520.0
265.0279541015625	2028.0
266.0328063964844	512.0
267.0276794433594	716.0
268.0284118652344	272.0
270.76593017578125	152.0
272.99969482421875	264.0
273.7016906738281	164.0
273.9256591796875	188.0
274.0223693847656	168.0
274.85345458984375	124.0
274.91363525390625	196.0
274.95147705078125	124.0
275.0141296386719	40008.0
275.15057373046875	272.0
275.2260437011719	180.0
275.42657470703125	108.0
275.69384765625	104.0
275.8278503417969	128.0
276.01641845703125	5432.0
276.1018981933594	160.0
276.3092041015625	236.0
276.6523132324219	160.0
276.77825927734375	148.0
276.9466247558594	124.0
277.0106506347656	22464.0
277.2561340332031	152.0
277.74847412109375	96.0
277.9244384765625	224.0
278.0149841308594	2204.0
278.417236328125	252.0
279.0070495605469	112.0
279.4888610839844	140.0
279.6120910644531	120.0
280.04345703125	104.0
280.823486328125	168.0
284.218994140625	192.0
286.04901123046875	132.0
289.1186828613281	148.0
290.7283935546875	140.0
291.0074768066406	896.0
291.1510314941406	176.0
292.01812744140625	460.0
293.0067138671875	680.0
294.0207214355469	212.0
294.7568664550781	172.0
295.0234680175781	156.0
296.9546813964844	196.0
297.6307373046875	160.0
299.394775390625	144.0
299.6618347167969	184.0
301.2119445800781	676.0
301.3160705566406	172.0
302.22308349609375	116.0
302.4420471191406	124.0
302.73419189453125	152.0
302.8103942871094	192.0
303.009033203125	19452.0
303.167236328125	172.0
303.1949462890625	152.0
303.3994445800781	224.0
303.7303771972656	120.0
304.01324462890625	3304.0
304.25750732421875	252.0
304.2998962402344	260.0
304.35357666015625	184.0
304.8233642578125	108.0
304.9388122558594	128.0
305.0062255859375	12736.0
305.07659912109375	164.0
306.0081787109375	2028.0
306.10260009765625	152.0
306.2035827636719	156.0
306.6390686035156	152.0
307.00164794921875	140.0
308.0550842285156	180.0
308.9891052246094	156.0
314.3050842285156	160.0
318.9195556640625	196.0
319.1044006347656	164.0
319.41021728515625	176.0
319.6841735839844	144.0
319.872802734375	248.0
320.0058288574219	196.0
320.0686340332031	140.0
320.1220397949219	140.0
320.2164611816406	188.0
320.8035888671875	124.0
320.930908203125	204.0
321.0204162597656	58388.0
321.101806640625	224.0
321.244140625	108.0
321.3776550292969	96.0
321.8193359375	220.0
321.86328125	116.0
322.0235595703125	6740.0
322.2872314453125	144.0
322.50164794921875	180.0
322.8006591796875	152.0
322.9306945800781	172.0
322.9570617675781	192.0
323.0167541503906	21200.0
323.17327880859375	128.0
324.0204162597656	2348.0
324.11376953125	116.0
324.1572570800781	116.0
325.0093688964844	268.0
326.3064880371094	132.0
333.3934020996094	156.0
336.3690490722656	140.0
349.6122741699219	140.0
359.5888977050781	192.0
385.1483459472656	152.0
506.0739440917969	144.0
1267.9588623046875	272.0
1381.2088623046875	168.0
1451.515625	180.0
1504.8485107421875	144.0
1563.5478515625	148.0
1690.226318359375	140.0
1723.5115966796875	176.0
1791.5697021484375	168.0
1836.906005859375	196.0
1848.0291748046875	224.0
1873.6829833984375	160.0
1881.3065185546875	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079239
PEPMASS=315.19458
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_A27B27C27D27_BE4_01_15740.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34
INCHI=InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
INCHIAUX=YEHCICAEULNIGD-MZMPZRCHSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079239
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079239
SCANS=1152
45.03445053100586	184.0
45.062503814697266	164.0
48.2777099609375	296.0
49.35821533203125	196.0
49.758941650390625	192.0
51.6666259765625	168.0
51.81981658935547	152.0
52.12543869018555	168.0
53.551918029785156	144.0
54.71903610229492	192.0
54.912071228027344	156.0
54.993221282958984	220.0
56.44618606567383	188.0
56.94222640991211	176.0
56.95724868774414	152.0
57.52041244506836	188.0
57.543060302734375	196.0
58.96337127685547	148.0
58.99241256713867	148.0
59.520992279052734	196.0
60.244873046875	200.0
60.811607360839844	164.0
61.1333122253418	172.0
61.58074951171875	148.0
62.130184173583984	156.0
64.39384460449219	208.0
64.70565795898438	168.0
64.84502410888672	164.0
65.3943099975586	148.0
66.25012969970703	168.0
66.94041442871094	184.0
67.48377227783203	152.0
67.63427734375	148.0
68.23303985595703	152.0
68.84600067138672	152.0
69.48990631103516	220.0
69.75727844238281	200.0
70.4371566772461	168.0
71.04396057128906	120.0
71.30171966552734	156.0
71.34542083740234	184.0
71.55740356445312	244.0
71.92828369140625	160.0
72.19015502929688	220.0
73.98353576660156	216.0
75.0746078491211	144.0
75.78158569335938	148.0
76.93815612792969	184.0
77.76085662841797	156.0
78.01907348632812	184.0
78.77684020996094	152.0
80.03845977783203	160.0
80.28732299804688	168.0
80.50504302978516	168.0
81.21556091308594	172.0
82.45970916748047	168.0
83.502197265625	144.0
84.97636413574219	168.0
85.354736328125	204.0
85.61235809326172	224.0
85.98844909667969	156.0
86.53561401367188	192.0
88.23426055908203	208.0
88.52519226074219	172.0
88.74351501464844	176.0
89.13017272949219	176.0
89.65330505371094	144.0
89.75509643554688	156.0
91.15751647949219	156.0
91.1885757446289	148.0
91.30413818359375	168.0
91.40306091308594	264.0
91.77067565917969	152.0
91.82025146484375	176.0
91.86984252929688	180.0
92.38372802734375	172.0
92.57704162597656	220.0
92.8664321899414	144.0
93.20623016357422	140.0
93.56266784667969	124.0
93.61595916748047	168.0
93.93011474609375	144.0
94.0632553100586	148.0
96.88298034667969	132.0
97.20655059814453	140.0
97.53649139404297	144.0
97.80400085449219	140.0
98.09603118896484	844.0
98.44080352783203	188.0
99.14704132080078	180.0
99.77825164794922	172.0
100.00900268554688	188.0
100.11138916015625	204.0
100.54513549804688	148.0
101.47929382324219	188.0
102.0379409790039	192.0
102.98252868652344	140.0
103.2331314086914	156.0
103.35652923583984	208.0
103.66431427001953	196.0
104.12482452392578	160.0
104.85520935058594	140.0
105.04891204833984	140.0
105.29180145263672	200.0
105.44503021240234	160.0
105.83164978027344	176.0
106.73858642578125	156.0
107.01224517822266	168.0
107.90973663330078	164.0
108.30197143554688	160.0
108.70097351074219	152.0
108.92520141601562	200.0
109.04363250732422	172.0
109.32022857666016	140.0
109.52842712402344	200.0
109.60550689697266	164.0
109.64302062988281	228.0
109.99341583251953	192.0
110.52006530761719	152.0
110.59540557861328	144.0
111.40901184082031	232.0
111.49305725097656	160.0
112.04668426513672	180.0
112.10983276367188	384.0
112.13284301757812	144.0
112.43016052246094	168.0
112.47241973876953	160.0
112.61600494384766	256.0
113.11979675292969	136.0
113.19969940185547	208.0
114.03131103515625	164.0
114.25884246826172	168.0
114.56539916992188	144.0
115.05162811279297	264.0
116.90540313720703	144.0
116.9465560913086	152.0
119.2000503540039	164.0
119.28263854980469	188.0
119.90950012207031	208.0
120.48773956298828	140.0
121.11775207519531	208.0
121.67914581298828	164.0
123.09491729736328	144.0
123.34014892578125	152.0
123.51483154296875	192.0
123.62103271484375	148.0
124.10940551757812	168.0
124.33683013916016	148.0
124.4078598022461	160.0
124.73662567138672	152.0
124.76107788085938	140.0
126.00464630126953	164.0
126.3578872680664	196.0
126.98734283447266	276.0
127.34195709228516	140.0
127.9223861694336	148.0
128.0631561279297	184.0
129.05235290527344	180.0
129.06834411621094	220.0
129.2129364013672	264.0
130.0637664794922	556.0
130.24891662597656	180.0
130.9722442626953	248.0
131.06871032714844	200.0
131.4236297607422	180.0
131.93751525878906	144.0
132.7411651611328	152.0
134.1828155517578	196.0
135.96160888671875	164.0
136.69129943847656	188.0
136.793701171875	212.0
136.8842010498047	156.0
137.09881591796875	140.0
137.16873168945312	192.0
137.72640991210938	144.0
138.12611389160156	192.0
138.95774841308594	196.0
140.05557250976562	144.0
140.53648376464844	204.0
141.07347106933594	240.0
141.52920532226562	152.0
142.07147216796875	160.0
142.15736389160156	144.0
142.4090118408203	184.0
142.44464111328125	192.0
142.80593872070312	144.0
143.0854949951172	588.0
143.69447326660156	164.0
144.0811309814453	432.0
144.3202362060547	188.0
144.58096313476562	140.0
144.8012237548828	148.0
145.0866241455078	404.0
146.02764892578125	144.0
146.49461364746094	184.0
147.68463134765625	148.0
148.0404052734375	184.0
148.1057891845703	180.0
150.18397521972656	172.0
150.53541564941406	140.0
150.83348083496094	200.0
151.026123046875	152.0
151.0926971435547	220.0
151.11715698242188	160.0
151.13427734375	192.0
151.96243286132812	152.0
152.06549072265625	208.0
153.06996154785156	924.0
153.73655700683594	184.0
153.783447265625	212.0
154.06442260742188	7772.0
155.07127380371094	3900.0
155.81398010253906	172.0
156.07949829101562	1200.0
156.1016082763672	372.0
156.22418212890625	180.0
157.08311462402344	204.0
158.10012817382812	364.0
158.12551879882812	220.0
158.79196166992188	140.0
158.96255493164062	152.0
160.615478515625	156.0
161.38067626953125	228.0
161.60830688476562	216.0
162.35049438476562	232.0
162.52552795410156	156.0
162.81491088867188	236.0
163.17318725585938	176.0
163.6642303466797	200.0
163.94444274902344	140.0
164.87591552734375	236.0
165.0709228515625	1048.0
166.07789611816406	776.0
167.0736083984375	5904.0
167.1372528076172	100.0
168.04721069335938	156.0
168.07936096191406	4140.0
168.65406799316406	148.0
168.70835876464844	180.0
168.75363159179688	152.0
169.08619689941406	1176.0
169.1739959716797	148.0
169.47959899902344	176.0
169.80104064941406	156.0
170.05010986328125	384.0
170.0963897705078	2924.0
170.3383331298828	332.0
170.63198852539062	148.0
170.9154815673828	160.0
171.10047912597656	488.0
172.11737060546875	868.0
172.8463897705078	160.0
173.7398223876953	172.0
174.12042236328125	144.0
175.01187133789062	176.0
175.87608337402344	156.0
176.1934356689453	144.0
176.59523010253906	176.0
176.89952087402344	172.0
177.02395629882812	148.0
177.9254608154297	188.0
178.08070373535156	208.0
179.08558654785156	1720.0
179.55125427246094	176.0
179.92214965820312	232.0
180.08151245117188	5504.0
180.38589477539062	100.0
180.538330078125	200.0
180.828857421875	168.0
180.9434051513672	148.0
181.0023193359375	148.0
181.09547424316406	1468.0
181.29429626464844	144.0
181.4122314453125	148.0
182.0965576171875	2264.0
182.39315795898438	140.0
182.64476013183594	228.0
182.83041381835938	188.0
182.99191284179688	168.0
183.1016845703125	888.0
183.2801055908203	140.0
183.69259643554688	188.0
183.9408416748047	156.0
183.9887237548828	152.0
184.10870361328125	868.0
185.1173858642578	616.0
185.42034912109375	184.0
186.13272094726562	344.0
186.1663818359375	116.0
186.53860473632812	164.0
186.6103973388672	220.0
186.63385009765625	152.0
187.53097534179688	152.0
187.6902313232422	180.0
187.96572875976562	140.0
188.15133666992188	160.0
188.4244384765625	172.0
188.64852905273438	204.0
189.0478515625	164.0
189.343505859375	164.0
190.2373809814453	172.0
190.49826049804688	140.0
190.7290802001953	140.0
190.98753356933594	160.0
191.05081176757812	160.0
191.08349609375	864.0
192.07957458496094	1796.0
192.26316833496094	188.0
192.54751586914062	152.0
192.67457580566406	196.0
192.76023864746094	152.0
192.804443359375	148.0
192.99649047851562	136.0
193.0887451171875	8372.0
193.129638671875	120.0
193.47659301757812	140.0
193.91146850585938	156.0
194.0944061279297	3048.0
194.86048889160156	164.0
194.93829345703125	196.0
194.9633026123047	152.0
195.10287475585938	1920.0
195.1328582763672	244.0
195.53619384765625	168.0
196.07371520996094	172.0
196.11216735839844	3792.0
196.32740783691406	184.0
197.1114044189453	852.0
197.94259643554688	220.0
198.12721252441406	2716.0
198.28890991210938	168.0
199.1336669921875	484.0
199.8203582763672	152.0
201.25213623046875	196.0
201.38485717773438	232.0
202.15383911132812	144.0
202.22457885742188	140.0
202.64369201660156	204.0
203.32139587402344	152.0
203.6280059814453	156.0
205.4040985107422	188.0
205.58670043945312	196.0
205.6551971435547	152.0
206.09536743164062	1060.0
206.5528106689453	188.0
206.6410675048828	164.0
207.1039581298828	668.0
207.2108154296875	140.0
207.590576171875	124.0
207.85020446777344	148.0
207.9563751220703	200.0
208.0252685546875	172.0
208.11276245117188	31876.0
208.18423461914062	148.0
208.42050170898438	104.0
208.5747528076172	128.0
209.11550903320312	4264.0
209.57252502441406	144.0
210.12747192382812	3276.0
210.2473907470703	104.0
210.3150634765625	124.0
210.47532653808594	180.0
210.84117126464844	124.0
211.08502197265625	144.0
211.1298065185547	812.0
211.2556610107422	160.0
211.96499633789062	160.0
212.13092041015625	428.0
213.13572692871094	476.0
213.8061065673828	224.0
214.0593719482422	152.0
214.231201171875	188.0
216.4655303955078	152.0
216.66177368164062	156.0
216.74966430664062	184.0
217.26275634765625	196.0
218.15550231933594	192.0
218.95877075195312	156.0
219.62191772460938	160.0
219.77938842773438	156.0
220.12066650390625	148.0
220.5608673095703	144.0
221.791259765625	100.0
222.12606811523438	196.0
223.05076599121094	144.0
223.1195526123047	400.0
223.99105834960938	148.0
224.06552124023438	172.0
224.12774658203125	792.0
224.1603546142578	204.0
224.2413330078125	176.0
225.13916015625	1708.0
225.18115234375	212.0
225.7579345703125	180.0
225.98226928710938	180.0
226.14503479003906	588.0
227.1561737060547	156.0
227.78701782226562	208.0
230.68679809570312	176.0
231.45852661132812	112.0
231.53611755371094	144.0
232.0057830810547	164.0
232.11856079101562	160.0
232.7642822265625	168.0
232.94346618652344	228.0
233.10951232910156	112.0
234.0687713623047	172.0
234.6141357421875	220.0
234.8763885498047	212.0
235.76791381835938	224.0
236.3030242919922	144.0
237.1343994140625	224.0
238.15249633789062	196.0
238.9384307861328	188.0
239.05844116210938	156.0
239.15296936035156	388.0
239.2215576171875	212.0
239.2554168701172	236.0
239.3046875	168.0
239.46173095703125	200.0
240.14535522460938	164.0
241.09066772460938	148.0
241.17721557617188	172.0
241.37506103515625	140.0
241.48330688476562	156.0
242.7127227783203	176.0
243.55685424804688	168.0
244.08352661132812	156.0
244.1160430908203	964.0
244.15670776367188	140.0
244.34246826171875	172.0
244.9316864013672	184.0
246.1370086669922	684.0
246.2486572265625	120.0
246.77603149414062	144.0
246.93392944335938	176.0
247.12509155273438	152.0
247.29531860351562	180.0
248.96006774902344	188.0
250.6272430419922	148.0
251.1638946533203	176.0
252.13246154785156	156.0
252.15626525878906	172.0
252.6035614013672	244.0
252.98646545410156	144.0
253.16893005371094	108.0
253.25767517089844	160.0
254.18023681640625	128.0
254.7559814453125	144.0
255.09686279296875	284.0
255.331298828125	148.0
256.1126708984375	972.0
256.2130126953125	200.0
257.1138916015625	308.0
258.1337890625	916.0
258.2303771972656	144.0
259.1328430175781	112.0
259.7101135253906	184.0
260.1250305175781	192.0
261.8055725097656	144.0
262.47906494140625	168.0
262.5822448730469	176.0
262.8375549316406	124.0
262.9855651855469	284.0
265.0552978515625	152.0
265.16949462890625	364.0
265.3794250488281	140.0
266.8411865234375	172.0
266.9672546386719	148.0
267.1864318847656	2980.0
267.250244140625	144.0
268.19158935546875	520.0
268.30548095703125	164.0
268.6054992675781	196.0
269.1878356933594	100.0
269.911865234375	164.0
269.9985046386719	136.0
270.117431640625	500.0
270.4450988769531	140.0
270.8904113769531	160.0
271.121337890625	244.0
272.1327209472656	596.0
272.35711669921875	116.0
273.1455383300781	404.0
273.3923034667969	244.0
274.1438903808594	280.0
274.75311279296875	164.0
275.2283935546875	152.0
277.2031555175781	176.0
277.35614013671875	168.0
277.5578308105469	180.0
279.2414855957031	144.0
280.11688232421875	180.0
280.37677001953125	188.0
281.15380859375	152.0
281.87176513671875	148.0
282.01214599609375	180.0
282.1157531738281	144.0
282.47357177734375	140.0
282.67431640625	148.0
283.8326721191406	128.0
284.4875183105469	148.0
285.9967956542969	140.0
286.1617736816406	176.0
287.216552734375	224.0
287.84765625	220.0
288.1854248046875	152.0
292.64215087890625	204.0
293.19329833984375	136.0
293.8213806152344	148.0
293.9305725097656	156.0
294.1421813964844	216.0
295.6117858886719	144.0
297.17083740234375	140.0
297.27496337890625	160.0
298.34539794921875	188.0
299.16070556640625	148.0
299.26397705078125	140.0
299.97711181640625	168.0
300.0529479980469	148.0
300.1871643066406	160.0
301.54071044921875	144.0
302.7958984375	144.0
303.7913818359375	152.0
305.5248718261719	240.0
305.6744689941406	152.0
306.2732849121094	156.0
307.1412048339844	140.0
307.9369812011719	176.0
309.97796630859375	136.0
310.55499267578125	156.0
311.09185791015625	144.0
311.6123046875	164.0
311.6594543457031	148.0
312.0333557128906	156.0
312.2760009765625	160.0
312.3481140136719	112.0
312.7664489746094	132.0
312.7956237792969	148.0
313.1373291015625	268.0
313.1697692871094	528.0
313.21917724609375	132.0
313.3102111816406	144.0
313.40313720703125	168.0
313.6209716796875	152.0
313.66705322265625	104.0
313.86773681640625	348.0
313.93963623046875	156.0
314.01666259765625	228.0
314.07568359375	112.0
314.12872314453125	164.0
314.1786193847656	176.0
314.2265625	236.0
314.30535888671875	264.0
314.3368835449219	100.0
314.4617919921875	180.0
314.5133361816406	232.0
314.6608581542969	396.0
314.6988830566406	100.0
314.7708740234375	156.0
314.81591796875	204.0
314.8748779296875	192.0
314.90411376953125	388.0
314.9367370605469	236.0
314.97637939453125	348.0
315.00860595703125	300.0
315.04058837890625	392.0
315.12286376953125	492.0
315.1912536621094	188792.0
315.2960205078125	252.0
315.4251403808594	172.0
315.47442626953125	176.0
315.52947998046875	792.0
315.5701599121094	212.0
315.6075744628906	280.0
315.6603088378906	148.0
315.73480224609375	264.0
315.7732849121094	6168.0
315.8197021484375	312.0
315.886474609375	236.0
316.00360107421875	216.0
316.1082458496094	428.0
316.19354248046875	68372.0
316.4010009765625	96.0
316.44091796875	140.0
316.49688720703125	168.0
316.5725402832031	152.0
316.6163330078125	156.0
316.83319091796875	168.0
316.8699951171875	104.0
316.9810791015625	244.0
317.1891174316406	14264.0
317.2772521972656	228.0
317.3345031738281	140.0
317.4767150878906	132.0
317.51171875	232.0
317.59454345703125	108.0
317.7080078125	152.0
317.80535888671875	100.0
317.8669128417969	216.0
317.9167785644531	188.0
317.96087646484375	188.0
318.0567932128906	192.0
318.1186218261719	448.0
318.1896057128906	2328.0
318.2825622558594	212.0
318.3171081542969	160.0
318.3472900390625	248.0
318.4088134765625	116.0
318.44091796875	104.0
318.4659729003906	252.0
318.8362731933594	100.0
318.986572265625	100.0
319.2151794433594	228.0
319.2747497558594	116.0
319.3824462890625	204.0
319.5723876953125	112.0
319.6626281738281	132.0
320.0777893066406	100.0
324.818359375	188.0
326.7247619628906	104.0
330.4309997558594	180.0
330.9167175292969	124.0
332.0477294921875	100.0
333.7952575683594	104.0
335.2202453613281	188.0
337.4482116699219	132.0
354.09228515625	244.0
354.2833251953125	148.0
424.0173645019531	160.0
678.0813598632812	140.0
713.7322998046875	120.0
1077.10107421875	172.0
1146.448486328125	204.0
1428.7137451171875	156.0
1550.9736328125	216.0
1558.861083984375	156.0
1594.8922119140625	160.0
1643.7705078125	156.0
1647.5894775390625	140.0
1677.34716796875	156.0
1685.30419921875	140.0
1704.5516357421875	164.0
1738.674072265625	156.0
1760.101318359375	156.0
1816.57568359375	140.0
1835.157958984375	196.0
1880.7716064453125	208.0
1906.1207275390625	212.0
1922.980712890625	228.0
1931.0361328125	148.0
1932.435791015625	140.0
1949.947509765625	164.0
1960.17333984375	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079240
PEPMASS=306.138855
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_E27F27G26H26_BE5_01_15741.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCN(C(=O)C)c1cccc(c1)c2ccnc3c(C#N)cnn23
INCHI=InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3
INCHIAUX=HUNXMJYCHXQEGX-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079240
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079240
SCANS=1197
47.322811126708984	176.0
48.66577911376953	156.0
49.273033142089844	160.0
50.30665969848633	216.0
51.039146423339844	148.0
51.34246063232422	232.0
51.44805145263672	200.0
52.203147888183594	148.0
53.18268966674805	144.0
60.00267028808594	160.0
67.0512924194336	144.0
67.07574462890625	156.0
67.7064208984375	172.0
68.02615356445312	208.0
73.50167083740234	160.0
74.28697204589844	192.0
75.89956665039062	220.0
76.09910583496094	184.0
80.59805297851562	172.0
84.22775268554688	160.0
85.45234680175781	164.0
86.2268295288086	176.0
88.37654113769531	184.0
89.96654510498047	184.0
91.05438995361328	216.0
91.8127670288086	164.0
92.46614837646484	180.0
92.70936584472656	200.0
93.05773162841797	216.0
93.86468505859375	156.0
94.24494171142578	140.0
94.95150756835938	148.0
99.07586669921875	160.0
100.07086944580078	168.0
102.6134033203125	180.0
103.67362213134766	140.0
109.44112396240234	184.0
110.96636199951172	156.0
112.01502227783203	208.0
114.15266418457031	200.0
114.41863250732422	180.0
115.54334259033203	252.0
115.63321685791016	236.0
116.22037506103516	180.0
116.48229217529297	160.0
117.05669403076172	168.0
117.22886657714844	140.0
117.68831634521484	164.0
118.06393432617188	672.0
118.5188980102539	140.0
119.03675842285156	248.0
119.06243896484375	120.0
121.39189147949219	144.0
122.73323059082031	160.0
124.63236999511719	148.0
126.10540008544922	176.0
126.28874206542969	236.0
127.66353607177734	348.0
129.07350158691406	136.0
130.04249572753906	176.0
130.06887817382812	180.0
130.50819396972656	148.0
131.28012084960938	140.0
134.40675354003906	188.0
135.060546875	164.0
136.07366943359375	148.0
136.77761840820312	144.0
136.99185180664062	176.0
138.1988525390625	192.0
138.61798095703125	148.0
139.3665008544922	160.0
139.4252471923828	144.0
140.04872131347656	160.0
140.3480224609375	184.0
142.04844665527344	312.0
142.98696899414062	184.0
143.03695678710938	144.0
143.06040954589844	348.0
144.00502014160156	156.0
144.04624938964844	200.0
144.0778350830078	248.0
145.0519256591797	184.0
145.0755157470703	364.0
146.09750366210938	836.0
147.0687255859375	168.0
147.09649658203125	336.0
147.7501678466797	148.0
151.00486755371094	224.0
152.41690063476562	184.0
152.82752990722656	180.0
154.05776977539062	236.0
155.06045532226562	1224.0
155.2681427001953	168.0
156.0760040283203	512.0
156.99156188964844	144.0
157.0745849609375	196.0
158.08993530273438	164.0
158.46632385253906	184.0
159.39854431152344	200.0
159.66619873046875	152.0
160.1846923828125	188.0
160.24766540527344	216.0
160.57284545898438	148.0
161.04734802246094	172.0
161.74520874023438	180.0
161.9528350830078	156.0
162.6932830810547	148.0
163.3743438720703	148.0
165.04779052734375	348.0
166.45162963867188	164.0
166.9012908935547	144.0
167.06088256835938	144.0
167.34384155273438	284.0
168.05111694335938	124.0
169.0621795654297	292.0
169.3270263671875	160.0
170.07156372070312	608.0
170.36196899414062	200.0
171.06201171875	204.0
171.10006713867188	176.0
173.02462768554688	156.0
175.4310302734375	220.0
175.7000274658203	200.0
179.074462890625	208.0
179.1144256591797	156.0
179.91708374023438	168.0
180.59849548339844	144.0
181.0714874267578	188.0
182.07037353515625	932.0
183.07557678222656	116.0
184.09442138671875	116.0
185.4016571044922	184.0
186.0770721435547	176.0
187.08840942382812	216.0
188.07614135742188	288.0
188.1106719970703	148.0
188.7882537841797	168.0
189.4807586669922	152.0
192.0579376220703	204.0
192.5284881591797	200.0
193.0602569580078	164.0
193.08396911621094	148.0
193.56549072265625	180.0
194.063720703125	276.0
194.2333984375	180.0
195.0692138671875	188.0
196.0839385986328	296.0
197.09498596191406	208.0
198.10777282714844	120.0
199.09947204589844	148.0
200.53872680664062	228.0
200.85362243652344	188.0
201.74119567871094	176.0
202.4336395263672	120.0
202.7233428955078	164.0
203.06637573242188	140.0
203.88401794433594	140.0
204.69761657714844	216.0
205.1078643798828	164.0
205.67263793945312	200.0
207.6009521484375	168.0
207.7988739013672	172.0
208.07373046875	784.0
208.6780548095703	180.0
209.08206176757812	5984.0
209.76593017578125	140.0
210.08448791503906	804.0
210.58250427246094	140.0
210.90611267089844	140.0
210.9350128173828	144.0
211.10848999023438	204.0
211.27914428710938	184.0
211.51931762695312	156.0
211.6756591796875	140.0
212.0725555419922	200.0
216.1497344970703	148.0
218.0640869140625	148.0
218.1205596923828	164.0
219.06591796875	7488.0
220.07009887695312	988.0
220.3661651611328	180.0
221.00184631347656	148.0
221.0811309814453	820.0
221.25045776367188	152.0
221.5703125	144.0
222.0898895263672	3464.0
223.0926513671875	684.0
224.0657196044922	152.0
225.03517150878906	144.0
225.2740936279297	156.0
227.06546020507812	124.0
227.0970001220703	164.0
228.0882110595703	200.0
228.78875732421875	160.0
230.09112548828125	152.0
232.07102966308594	288.0
234.07652282714844	1336.0
234.21531677246094	156.0
235.08551025390625	7244.0
235.13609313964844	156.0
235.85626220703125	96.0
235.98324584960938	184.0
236.04598999023438	192.0
236.0934600830078	39312.0
236.348876953125	108.0
236.81863403320312	228.0
236.96139526367188	100.0
237.094970703125	5512.0
237.2023468017578	168.0
237.4689178466797	156.0
237.83062744140625	128.0
238.08055114746094	736.0
238.1068572998047	408.0
238.3383331298828	100.0
238.40994262695312	148.0
239.08209228515625	120.0
239.52513122558594	164.0
239.63461303710938	148.0
240.1004638671875	156.0
243.05682373046875	148.0
243.4830780029297	96.0
245.939208984375	144.0
246.0817108154297	220.0
247.09596252441406	208.0
248.09100341796875	812.0
249.1000518798828	908.0
251.05633544921875	184.0
251.1288604736328	200.0
251.1698760986328	188.0
251.6248016357422	148.0
253.09471130371094	124.0
254.0738525390625	336.0
254.12142944335938	160.0
259.0797119140625	160.0
259.10595703125	148.0
260.0929870605469	4760.0
260.7159423828125	224.0
261.0963134765625	1856.0
261.7930908203125	160.0
262.07342529296875	784.0
262.10491943359375	756.0
262.1571044921875	164.0
263.0735778808594	156.0
263.1141052246094	412.0
263.4024963378906	160.0
264.0757751464844	144.0
264.1241455078125	17388.0
264.3853759765625	172.0
264.99090576171875	144.0
265.1277160644531	3232.0
266.1279296875	420.0
268.0740661621094	152.0
268.74591064453125	132.0
271.0906982421875	140.0
273.99200439453125	148.0
274.1072998046875	144.0
275.23541259765625	244.0
277.0964050292969	124.0
277.6179504394531	200.0
277.85675048828125	168.0
278.10321044921875	1044.0
279.1122131347656	236.0
279.69775390625	184.0
280.1087646484375	140.0
281.0874938964844	164.0
285.93939208984375	116.0
286.102294921875	308.0
287.12139892578125	116.0
288.12371826171875	1216.0
288.5948486328125	140.0
289.1362609863281	136.0
289.2037658691406	148.0
290.2336120605469	152.0
291.2755126953125	164.0
292.0198669433594	200.0
292.6902770996094	184.0
298.5315246582031	152.0
302.1324462890625	140.0
303.88433837890625	132.0
304.4026794433594	148.0
304.56591796875	144.0
304.71173095703125	156.0
304.93768310546875	164.0
305.0317077636719	148.0
305.32635498046875	116.0
305.38909912109375	96.0
305.4461364746094	168.0
305.5091857910156	208.0
305.5785217285156	140.0
305.6705322265625	200.0
305.69732666015625	112.0
305.8604736328125	268.0
305.96563720703125	352.0
306.055908203125	136.0
306.1357421875	132272.0
306.3517150878906	272.0
306.3840026855469	148.0
306.4261779785156	116.0
306.4571533203125	176.0
306.49609375	216.0
306.5480651855469	156.0
306.614013671875	264.0
306.6738586425781	168.0
306.7085266113281	596.0
306.78289794921875	144.0
307.04400634765625	148.0
307.13787841796875	16496.0
307.195556640625	148.0
307.28271484375	112.0
307.33544921875	120.0
307.6284484863281	100.0
307.8005065917969	148.0
308.0711669921875	160.0
308.1418762207031	2132.0
308.8863525390625	100.0
308.95635986328125	220.0
308.9923095703125	132.0
309.0316162109375	152.0
309.0561218261719	140.0
309.13580322265625	120.0
309.2093200683594	272.0
309.35748291015625	120.0
309.58587646484375	140.0
310.2236633300781	128.0
311.79833984375	188.0
348.1704406738281	148.0
388.1703186035156	164.0
429.18731689453125	300.0
466.0820007324219	140.0
545.2300415039062	308.0
550.3764038085938	156.0
1358.61083984375	172.0
1583.7308349609375	268.0
1642.4095458984375	168.0
1862.3570556640625	164.0
1888.9141845703125	224.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079241
PEPMASS=359.20282
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_E27F27G26H26_BE5_01_15741.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="8-Azaspiro[4.5]decane-7,9-dione, 8-[2-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]ethyl]-, monomethanesulfonate [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=O=C1CC2(CCCC2)CC(=O)N1CCNCC3COc4ccccc4O3
INCHI=InChI=1S/C20H26N2O4/c23-18-11-20(7-3-4-8-20)12-19(24)22(18)10-9-21-13-15-14-25-16-5-1-2-6-17(16)26-15/h1-2,5-6,15,21H,3-4,7-14H2
INCHIAUX=BVMYCHKQPGEOSI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079241
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079241
SCANS=1118
44.99180603027344	140.0
45.24715805053711	168.0
45.82197952270508	200.0
46.13914108276367	160.0
46.21894073486328	160.0
46.41670608520508	180.0
46.4804573059082	160.0
46.60945510864258	156.0
47.05820846557617	192.0
47.07942581176758	144.0
47.34610366821289	148.0
47.544891357421875	196.0
47.61491012573242	156.0
47.705596923828125	172.0
48.124420166015625	188.0
48.22941207885742	168.0
48.27918243408203	176.0
48.39542007446289	144.0
48.5325927734375	144.0
48.63108825683594	144.0
48.686622619628906	152.0
48.7713737487793	192.0
49.254886627197266	168.0
49.268856048583984	228.0
49.300994873046875	256.0
49.32615280151367	224.0
49.39606857299805	208.0
49.4604377746582	152.0
49.70085525512695	196.0
49.759033203125	152.0
50.277034759521484	140.0
50.33491516113281	172.0
50.443702697753906	216.0
50.47763442993164	348.0
50.64179992675781	156.0
50.69563674926758	144.0
51.151554107666016	148.0
51.1914176940918	152.0
51.21420669555664	160.0
51.317771911621094	220.0
51.48947525024414	208.0
51.5509033203125	148.0
51.776939392089844	204.0
52.1470947265625	208.0
52.25638198852539	168.0
52.34706497192383	160.0
52.36866760253906	144.0
52.387393951416016	140.0
52.68168258666992	140.0
52.72105407714844	176.0
52.824798583984375	144.0
52.897151947021484	172.0
52.949275970458984	164.0
53.04789352416992	132.0
53.60770797729492	176.0
53.68463897705078	188.0
53.70214080810547	160.0
54.35608673095703	152.0
54.524967193603516	144.0
54.7176628112793	152.0
54.777366638183594	200.0
54.90480041503906	188.0
55.070098876953125	148.0
55.3836669921875	152.0
55.8482551574707	144.0
56.02092361450195	168.0
56.24609375	164.0
56.41938018798828	196.0
56.49564743041992	148.0
56.71427536010742	140.0
56.853755950927734	220.0
56.9693717956543	140.0
57.05653381347656	180.0
57.08961486816406	196.0
57.419429779052734	144.0
57.5159912109375	244.0
57.53712463378906	196.0
57.73960494995117	152.0
57.818275451660156	156.0
58.061866760253906	168.0
58.145633697509766	144.0
58.79548645019531	168.0
59.05980682373047	168.0
59.099491119384766	208.0
59.122535705566406	152.0
59.14649963378906	188.0
59.424400329589844	164.0
59.579463958740234	188.0
59.768577575683594	188.0
59.80773162841797	172.0
60.200191497802734	164.0
60.67211151123047	188.0
60.70002365112305	160.0
60.74189758300781	468.0
60.99189376831055	156.0
61.54806900024414	140.0
61.73871612548828	152.0
61.754356384277344	160.0
62.01112747192383	232.0
62.16638946533203	188.0
62.36427307128906	196.0
62.428733825683594	212.0
62.57664489746094	220.0
62.855628967285156	188.0
63.03564453125	224.0
63.26656723022461	208.0
63.472537994384766	156.0
64.56017303466797	140.0
64.67056274414062	196.0
64.68977355957031	168.0
65.2175064086914	156.0
65.33007049560547	264.0
65.6925277709961	200.0
65.71995544433594	148.0
65.77644348144531	216.0
66.49834442138672	188.0
67.44139862060547	164.0
67.59512329101562	204.0
67.7572250366211	144.0
67.78999328613281	188.0
67.87195587158203	156.0
68.41248321533203	176.0
68.4256591796875	176.0
68.79824829101562	248.0
68.84282684326172	220.0
69.20296478271484	160.0
69.56637573242188	144.0
69.65438079833984	192.0
69.77047729492188	144.0
69.88047790527344	196.0
69.92374420166016	148.0
69.96202850341797	196.0
70.01364135742188	352.0
70.40888977050781	156.0
70.42559051513672	184.0
70.50624084472656	172.0
71.06004333496094	176.0
71.20777130126953	156.0
72.06351470947266	168.0
72.17337799072266	200.0
72.33917999267578	168.0
72.36795806884766	152.0
72.4390869140625	216.0
72.51703643798828	172.0
72.69341278076172	176.0
72.8043212890625	108.0
73.14720153808594	164.0
73.19998168945312	200.0
73.25788879394531	176.0
73.56888580322266	196.0
73.76299285888672	140.0
74.15667724609375	180.0
74.38480377197266	164.0
74.6277084350586	196.0
74.8937759399414	212.0
74.91961669921875	140.0
74.94546508789062	140.0
75.27146911621094	140.0
75.39630126953125	152.0
75.68992614746094	152.0
75.70897674560547	176.0
75.78173065185547	184.0
76.18596649169922	240.0
76.22071075439453	184.0
76.45024871826172	160.0
76.65747833251953	192.0
77.68555450439453	144.0
77.78382110595703	156.0
77.94715118408203	180.0
78.0262451171875	192.0
78.14584350585938	140.0
78.16343688964844	140.0
78.23560333251953	152.0
79.04219055175781	148.0
79.10059356689453	156.0
79.82624053955078	176.0
80.29468536376953	176.0
80.8019027709961	216.0
81.16370391845703	144.0
81.52810668945312	160.0
81.96539306640625	192.0
82.01585388183594	168.0
82.05010223388672	140.0
82.19619750976562	200.0
82.2250747680664	168.0
82.31172180175781	140.0
82.62078857421875	164.0
82.71220397949219	140.0
82.97212982177734	180.0
83.22613525390625	176.0
83.71527862548828	180.0
83.74988555908203	152.0
84.04704284667969	176.0
84.25309753417969	172.0
85.0407485961914	188.0
85.20785522460938	196.0
85.40638732910156	140.0
85.6217269897461	188.0
85.68804168701172	208.0
85.74700927734375	260.0
86.72843933105469	164.0
86.999267578125	220.0
87.96541595458984	144.0
88.18022155761719	192.0
88.26434326171875	144.0
88.45330047607422	256.0
88.48699951171875	192.0
89.25251770019531	156.0
89.35596466064453	140.0
89.4462890625	160.0
89.5875244140625	160.0
89.84957122802734	188.0
89.95524597167969	192.0
90.08932495117188	140.0
90.11199188232422	384.0
90.38047790527344	140.0
90.91105651855469	160.0
91.0534439086914	172.0
91.16932678222656	160.0
91.75220489501953	160.0
91.80516815185547	152.0
92.15310668945312	200.0
93.40310668945312	140.0
93.7259292602539	156.0
93.98816680908203	208.0
94.10204315185547	184.0
94.12714385986328	280.0
94.29328155517578	192.0
95.00196838378906	224.0
95.08394622802734	120.0
95.25238037109375	140.0
95.84186553955078	176.0
96.74221801757812	156.0
97.18907165527344	152.0
97.39875030517578	164.0
97.566162109375	164.0
97.7024154663086	204.0
98.42716217041016	168.0
98.4765396118164	236.0
98.64646911621094	160.0
98.66426086425781	176.0
98.88580322265625	148.0
99.17572021484375	212.0
99.2800521850586	184.0
99.32170104980469	160.0
99.51419830322266	220.0
99.61668395996094	152.0
99.67607879638672	120.0
99.85201263427734	208.0
100.01715087890625	152.0
100.204345703125	172.0
100.28006744384766	148.0
100.57036590576172	164.0
102.11605834960938	172.0
102.34345245361328	188.0
102.7667236328125	140.0
102.91608428955078	208.0
103.18682098388672	160.0
103.2074966430664	124.0
103.69692993164062	164.0
103.71720123291016	156.0
103.89520263671875	184.0
104.05191802978516	156.0
104.11283111572266	160.0
104.66798400878906	176.0
104.75963592529297	160.0
105.05726623535156	224.0
105.15928649902344	172.0
105.31037902832031	220.0
105.41865539550781	176.0
105.62106323242188	184.0
105.64151763916016	204.0
105.66606903076172	156.0
105.82775115966797	224.0
106.23149108886719	184.0
106.41413879394531	140.0
106.78827667236328	180.0
107.08451843261719	160.0
107.23079681396484	144.0
107.48857879638672	144.0
107.5690689086914	168.0
107.65371704101562	152.0
107.74253845214844	160.0
107.8460693359375	156.0
108.03816223144531	148.0
108.3063735961914	148.0
108.37149047851562	152.0
108.42536163330078	180.0
108.54352569580078	176.0
108.60574340820312	180.0
108.6202621459961	172.0
108.84440612792969	180.0
108.8943099975586	132.0
108.97257995605469	148.0
109.06515502929688	54232.0
109.15113067626953	112.0
109.1995620727539	244.0
109.226806640625	148.0
109.33905792236328	96.0
109.44451904296875	124.0
110.06806182861328	3596.0
110.20037078857422	172.0
110.62281799316406	196.0
110.71434783935547	196.0
110.75364685058594	168.0
110.94123840332031	164.0
110.96685028076172	172.0
111.07420349121094	284.0
111.1404800415039	164.0
111.15694427490234	180.0
111.53314208984375	144.0
111.80030059814453	140.0
112.0411605834961	1668.0
112.09722900390625	172.0
112.23307037353516	180.0
112.37345123291016	140.0
113.02845001220703	204.0
113.11310577392578	164.0
113.22320556640625	140.0
113.93165588378906	180.0
114.04725646972656	196.0
114.28032684326172	216.0
114.56135559082031	216.0
115.06678771972656	144.0
115.32098388671875	140.0
115.39580535888672	164.0
115.77240753173828	220.0
115.79167938232422	144.0
115.95879364013672	140.0
116.49736785888672	176.0
116.5381851196289	140.0
116.76605224609375	160.0
117.05657196044922	164.0
117.5135269165039	216.0
118.072998046875	164.0
118.16817474365234	148.0
118.25040435791016	172.0
119.06462097167969	156.0
119.13074493408203	184.0
119.51556396484375	140.0
119.69781494140625	148.0
119.7855224609375	152.0
120.19103240966797	176.0
120.53821563720703	160.0
120.75027465820312	140.0
121.1376953125	148.0
121.98033142089844	176.0
122.1386489868164	176.0
122.34550476074219	188.0
122.85677337646484	252.0
123.08001708984375	380.0
123.11582946777344	316.0
123.24755859375	144.0
123.36690521240234	220.0
123.54009246826172	164.0
123.8455581665039	204.0
124.00163269042969	180.0
124.10858154296875	164.0
124.1529312133789	296.0
124.24160766601562	208.0
124.27271270751953	140.0
124.53688049316406	144.0
124.82437896728516	152.0
124.92365264892578	196.0
125.04380798339844	204.0
125.34221649169922	264.0
125.44027709960938	192.0
125.4915542602539	148.0
126.10543823242188	180.0
126.27608489990234	160.0
126.31562042236328	204.0
126.36930847167969	168.0
126.93376159667969	156.0
127.11994171142578	176.0
128.0662841796875	184.0
128.36180114746094	120.0
128.41802978515625	164.0
128.52857971191406	160.0
128.58499145507812	204.0
129.01416015625	148.0
129.2131805419922	140.0
129.71365356445312	144.0
130.01666259765625	168.0
130.04254150390625	144.0
130.07432556152344	144.0
130.65606689453125	164.0
130.6742706298828	176.0
130.8905029296875	176.0
131.00843811035156	164.0
131.05677795410156	196.0
131.13426208496094	196.0
131.23228454589844	140.0
131.75721740722656	180.0
132.1779022216797	152.0
132.5580291748047	148.0
132.5855255126953	216.0
132.6909637451172	176.0
132.75286865234375	172.0
132.91802978515625	152.0
133.06393432617188	152.0
133.2279815673828	180.0
133.3199005126953	144.0
133.36355590820312	176.0
133.70164489746094	184.0
133.95492553710938	208.0
134.00559997558594	160.0
134.0401611328125	164.0
134.3260498046875	152.0
135.042236328125	152.0
135.12767028808594	156.0
135.57920837402344	204.0
135.79017639160156	232.0
136.6217498779297	180.0
136.93365478515625	172.0
136.95228576660156	160.0
137.02915954589844	104.0
137.1923065185547	188.0
137.2179412841797	180.0
138.19187927246094	172.0
138.26675415039062	180.0
138.33863830566406	192.0
138.84776306152344	140.0
139.06361389160156	152.0
139.40179443359375	184.0
139.7498016357422	168.0
139.9017791748047	152.0
139.9495849609375	200.0
140.1241455078125	160.0
140.48013305664062	180.0
141.3117218017578	188.0
141.98072814941406	168.0
142.73960876464844	184.0
143.0346221923828	172.0
143.38475036621094	228.0
143.45387268066406	216.0
143.62554931640625	192.0
143.77825927734375	220.0
143.82598876953125	164.0
144.88772583007812	168.0
144.90928649902344	184.0
145.05787658691406	148.0
145.30247497558594	144.0
145.828369140625	156.0
146.38650512695312	140.0
146.81785583496094	160.0
147.55674743652344	160.0
148.04067993164062	172.0
148.06973266601562	208.0
148.1133270263672	180.0
148.15208435058594	156.0
148.21749877929688	172.0
148.2368927001953	148.0
148.26112365722656	140.0
148.73440551757812	116.0
149.0109100341797	144.0
149.04945373535156	148.0
149.5366668701172	152.0
149.92825317382812	152.0
150.04281616210938	148.0
150.09278869628906	396.0
150.20620727539062	168.0
150.88754272460938	156.0
151.04649353027344	184.0
151.0749053955078	380.0
151.21287536621094	144.0
151.50180053710938	140.0
151.64883422851562	160.0
152.0780487060547	208.0
152.10568237304688	1052.0
152.3383331298828	152.0
152.99453735351562	152.0
153.02447509765625	188.0
153.10777282714844	336.0
153.38661193847656	140.0
153.4112548828125	168.0
153.48448181152344	212.0
153.879638671875	220.0
154.04052734375	156.0
154.67849731445312	192.0
155.31283569335938	188.0
155.49642944335938	152.0
155.8714141845703	184.0
156.22447204589844	160.0
156.37625122070312	196.0
156.41110229492188	184.0
156.80462646484375	160.0
157.0364990234375	232.0
157.135498046875	180.0
157.713134765625	164.0
158.10330200195312	144.0
158.211669921875	196.0
158.72955322265625	160.0
159.16114807128906	164.0
159.35336303710938	156.0
159.48622131347656	236.0
159.80963134765625	168.0
159.9102783203125	160.0
160.46730041503906	164.0
161.5014190673828	124.0
161.8870391845703	248.0
162.2873992919922	148.0
163.1912841796875	164.0
163.54489135742188	172.0
163.65435791015625	140.0
163.95494079589844	140.0
164.10409545898438	248.0
164.33486938476562	192.0
164.39866638183594	144.0
164.43695068359375	140.0
164.51097106933594	152.0
164.60032653808594	208.0
164.87110900878906	172.0
164.89895629882812	152.0
165.17962646484375	144.0
166.12335205078125	2224.0
166.63917541503906	152.0
166.75381469726562	184.0
167.12730407714844	384.0
167.56024169921875	144.0
167.8360137939453	156.0
168.09396362304688	212.0
168.13136291503906	316.0
168.42442321777344	184.0
169.40478515625	216.0
169.49948120117188	232.0
169.79876708984375	172.0
170.32565307617188	204.0
172.09654235839844	176.0
172.71066284179688	180.0
173.11109924316406	208.0
173.55130004882812	172.0
173.9500732421875	184.0
174.04196166992188	188.0
174.06297302246094	308.0
174.40713500976562	160.0
174.61683654785156	152.0
174.69638061523438	172.0
174.74899291992188	184.0
174.806884765625	152.0
174.89109802246094	172.0
175.06820678710938	208.0
175.29769897460938	144.0
175.65524291992188	148.0
175.84793090820312	132.0
176.10423278808594	180.0
176.58233642578125	160.0
176.68284606933594	168.0
176.84426879882812	156.0
177.60205078125	172.0
177.79600524902344	192.0
178.05589294433594	140.0
179.85911560058594	168.0
179.92515563964844	144.0
179.9918975830078	140.0
180.1935577392578	144.0
180.9731903076172	180.0
181.65573120117188	152.0
181.8712615966797	152.0
182.0001220703125	172.0
182.10215759277344	220.0
182.47030639648438	176.0
182.7123565673828	176.0
182.77154541015625	176.0
182.93032836914062	160.0
183.0757293701172	152.0
183.11224365234375	128.0
183.76577758789062	144.0
184.0140838623047	224.0
184.0815887451172	272.0
184.16259765625	140.0
184.5355224609375	164.0
184.5787811279297	160.0
184.80870056152344	180.0
185.12811279296875	152.0
185.56436157226562	152.0
185.870849609375	180.0
185.9429168701172	136.0
186.04183959960938	160.0
186.1640167236328	176.0
186.2264862060547	184.0
186.465576171875	216.0
186.50633239746094	168.0
187.4705352783203	144.0
187.79420471191406	188.0
188.27455139160156	200.0
188.61334228515625	144.0
189.03775024414062	200.0
189.09320068359375	108.0
189.1877899169922	144.0
189.2151641845703	248.0
189.51095581054688	160.0
189.64797973632812	156.0
190.08914184570312	232.0
190.55905151367188	164.0
190.90724182128906	160.0
191.09242248535156	180.0
191.11167907714844	176.0
191.57077026367188	192.0
191.6403350830078	148.0
191.8194580078125	180.0
191.855224609375	140.0
191.8883819580078	148.0
192.1009063720703	1100.0
192.27093505859375	256.0
192.56300354003906	132.0
192.8565216064453	152.0
192.93309020996094	116.0
192.97694396972656	176.0
193.10772705078125	360.0
193.14308166503906	148.0
193.2100372314453	136.0
193.26719665527344	132.0
193.35446166992188	128.0
193.38426208496094	216.0
193.43582153320312	140.0
193.5170440673828	116.0
193.54171752929688	204.0
193.58493041992188	152.0
193.61708068847656	144.0
193.66197204589844	220.0
193.6993865966797	224.0
193.73301696777344	172.0
193.76071166992188	112.0
193.8046112060547	184.0
193.84677124023438	140.0
193.8855438232422	124.0
193.9214630126953	304.0
193.96144104003906	308.0
193.99085998535156	360.0
194.0324249267578	312.0
194.07862854003906	676.0
194.11907958984375	357300.0
194.2222442626953	152.0
194.2750244140625	172.0
194.33267211914062	308.0
194.4053192138672	300.0
194.4446563720703	240.0
194.54258728027344	192.0
194.5740966796875	5776.0
194.65428161621094	316.0
194.6991424560547	152.0
194.7979736328125	272.0
194.85122680664062	200.0
194.9453582763672	280.0
194.98138427734375	96.0
195.03260803222656	148.0
195.0744171142578	268.0
195.12083435058594	52332.0
195.1995086669922	240.0
195.24078369140625	256.0
195.3035430908203	112.0
195.35183715820312	136.0
195.3793487548828	112.0
195.44737243652344	120.0
195.62709045410156	132.0
195.67196655273438	168.0
195.8754425048828	124.0
195.99102783203125	112.0
196.06141662597656	96.0
196.12258911132812	4528.0
196.2145538330078	100.0
196.24366760253906	296.0
196.3350372314453	184.0
196.37229919433594	228.0
196.40682983398438	188.0
196.43353271484375	228.0
196.4629364013672	288.0
196.4976348876953	336.0
196.55059814453125	316.0
196.60096740722656	108.0
196.6304168701172	228.0
196.67604064941406	124.0
196.7030029296875	240.0
196.75628662109375	128.0
196.7803192138672	128.0
196.8424530029297	128.0
196.87869262695312	164.0
197.1307830810547	332.0
197.2872314453125	140.0
197.39305114746094	108.0
197.49510192871094	140.0
197.5741424560547	136.0
197.61654663085938	136.0
197.64297485351562	132.0
198.10986328125	136.0
198.32212829589844	100.0
198.50059509277344	104.0
199.09158325195312	100.0
200.4578857421875	136.0
201.32550048828125	216.0
201.47561645507812	160.0
201.9505157470703	172.0
202.0976104736328	164.0
202.38632202148438	204.0
204.20819091796875	144.0
205.0708770751953	204.0
205.30821228027344	96.0
206.11761474609375	1368.0
206.28469848632812	144.0
206.36402893066406	148.0
206.470947265625	176.0
206.7873992919922	160.0
207.12164306640625	400.0
207.36929321289062	116.0
208.01327514648438	116.0
208.40187072753906	164.0
209.74005126953125	144.0
210.484375	148.0
210.5219268798828	236.0
210.6663360595703	220.0
212.44378662109375	196.0
213.0388946533203	148.0
213.1551055908203	148.0
213.9403839111328	148.0
215.58250427246094	140.0
216.9728240966797	228.0
217.1428985595703	148.0
217.40399169921875	156.0
221.01080322265625	172.0
221.3008575439453	204.0
223.49131774902344	144.0
224.54104614257812	124.0
226.2550506591797	144.0
226.6743621826172	168.0
227.07745361328125	192.0
227.1360626220703	160.0
227.7213592529297	192.0
228.04583740234375	220.0
229.03875732421875	236.0
229.18336486816406	152.0
229.45462036132812	148.0
229.5269775390625	152.0
230.03684997558594	144.0
230.103271484375	196.0
232.23666381835938	152.0
232.291259765625	140.0
233.16845703125	164.0
233.21434020996094	180.0
234.2001495361328	196.0
234.7853240966797	140.0
234.91952514648438	164.0
235.2155303955078	156.0
235.2633056640625	264.0
235.349853515625	152.0
235.4322967529297	156.0
235.64306640625	184.0
237.05670166015625	188.0
237.46136474609375	148.0
237.8878631591797	180.0
237.99505615234375	236.0
238.1580810546875	144.0
238.20416259765625	176.0
238.64405822753906	140.0
239.8935546875	168.0
240.01937866210938	148.0
241.40953063964844	152.0
241.85813903808594	220.0
242.08413696289062	180.0
242.36912536621094	168.0
242.458984375	192.0
242.5333709716797	188.0
244.8200225830078	188.0
244.8824462890625	96.0
246.0048370361328	164.0
246.36708068847656	148.0
246.55455017089844	152.0
246.5826873779297	164.0
247.6527099609375	148.0
248.35166931152344	148.0
250.2938232421875	152.0
250.42608642578125	144.0
250.84942626953125	124.0
251.17941284179688	112.0
254.21035766601562	144.0
255.02337646484375	164.0
255.338134765625	204.0
256.1593322753906	176.0
256.3186340332031	216.0
257.01055908203125	240.0
257.1445617675781	148.0
257.6267395019531	140.0
257.7193908691406	156.0
259.2745666503906	144.0
259.86456298828125	172.0
260.4908447265625	148.0
260.8601379394531	224.0
260.96942138671875	156.0
261.54205322265625	164.0
263.2862854003906	172.0
263.9228820800781	140.0
264.1073913574219	144.0
264.6767883300781	164.0
265.5031433105469	160.0
265.6426086425781	224.0
266.5029296875	164.0
268.0713195800781	168.0
268.17559814453125	148.0
268.7919616699219	152.0
270.4848937988281	144.0
271.9368896484375	168.0
272.01239013671875	192.0
272.0386657714844	168.0
272.55755615234375	152.0
272.91912841796875	148.0
273.1683349609375	160.0
273.51788330078125	192.0
274.8757019042969	212.0
276.6372985839844	148.0
276.9618225097656	152.0
278.6702575683594	160.0
278.9560546875	212.0
280.1091613769531	124.0
280.9107666015625	140.0
281.0971984863281	136.0
281.7954406738281	168.0
282.9626770019531	208.0
283.0551452636719	208.0
284.1155700683594	212.0
284.9716796875	140.0
286.30035400390625	180.0
287.7806701660156	148.0
287.8549499511719	208.0
288.38873291015625	180.0
289.9523620605469	152.0
290.5342712402344	184.0
290.9903259277344	180.0
291.1193542480469	188.0
291.18048095703125	256.0
291.5677795410156	236.0
292.0641784667969	144.0
292.8504333496094	212.0
293.8219299316406	160.0
294.1836853027344	224.0
294.64471435546875	188.0
295.0103759765625	228.0
295.9067077636719	168.0
296.13714599609375	448.0
296.2525939941406	176.0
296.40155029296875	168.0
297.15423583984375	144.0
297.3049621582031	116.0
297.892333984375	188.0
298.1500244140625	196.0
298.7517395019531	192.0
298.9203186035156	156.0
299.0442199707031	160.0
299.4952697753906	212.0
299.6675109863281	180.0
300.3914794921875	196.0
300.7296142578125	144.0
300.8677062988281	184.0
302.61016845703125	200.0
302.6939392089844	144.0
303.0915832519531	228.0
303.57342529296875	164.0
305.11505126953125	140.0
305.48236083984375	144.0
305.7980041503906	132.0
305.9070739746094	192.0
306.0788269042969	176.0
307.515625	216.0
307.73248291015625	164.0
308.94073486328125	152.0
309.1571350097656	104.0
309.19268798828125	156.0
311.32415771484375	216.0
312.11480712890625	164.0
312.177001953125	156.0
312.80084228515625	148.0
313.02264404296875	164.0
313.1529541015625	160.0
314.15399169921875	156.0
314.8034362792969	172.0
315.02593994140625	200.0
315.1319274902344	188.0
316.9505920410156	152.0
318.078369140625	140.0
318.2629699707031	172.0
318.35491943359375	228.0
318.57196044921875	168.0
318.83843994140625	140.0
319.40960693359375	180.0
320.5109558105469	160.0
321.31317138671875	148.0
321.7699890136719	144.0
321.844970703125	164.0
322.23785400390625	144.0
323.2532958984375	172.0
324.0597229003906	208.0
324.26678466796875	148.0
324.4890441894531	152.0
324.7185363769531	196.0
328.58544921875	148.0
329.00048828125	196.0
329.1773986816406	188.0
329.2640686035156	144.0
329.6470031738281	160.0
331.9420166015625	148.0
333.7393798828125	164.0
334.71087646484375	208.0
335.16986083984375	164.0
335.8588562011719	160.0
335.93975830078125	188.0
336.0047912597656	160.0
336.13458251953125	160.0
336.5412902832031	200.0
338.5011901855469	152.0
339.09832763671875	140.0
340.1319580078125	212.0
341.2788391113281	164.0
341.3340148925781	208.0
342.6443176269531	148.0
343.09393310546875	180.0
344.274658203125	176.0
344.7918395996094	144.0
345.06536865234375	140.0
345.32794189453125	208.0
346.1717224121094	176.0
346.5013732910156	148.0
347.3910827636719	176.0
348.2357177734375	120.0
349.10333251953125	188.0
349.13006591796875	168.0
349.32275390625	184.0
349.6874084472656	172.0
350.4284362792969	212.0
352.7945556640625	176.0
353.3517761230469	152.0
354.3265380859375	156.0
355.25115966796875	184.0
355.3695068359375	96.0
356.0698547363281	140.0
356.0994567871094	156.0
356.2222900390625	148.0
356.3927001953125	96.0
356.5528259277344	112.0
356.6788330078125	140.0
356.77410888671875	112.0
356.9101257324219	96.0
356.9921875	144.0
357.0544128417969	216.0
357.1925354003906	320.0
357.2949523925781	96.0
357.3324890136719	276.0
357.4483337402344	144.0
357.5795593261719	148.0
357.6259460449219	120.0
357.7137451171875	308.0
357.75018310546875	156.0
357.7949523925781	112.0
357.85577392578125	284.0
357.8887634277344	108.0
357.9474792480469	460.0
358.01513671875	216.0
358.08966064453125	244.0
358.1220703125	268.0
358.1341857910156	240.0
358.1441955566406	128.0
358.2004089355469	1668.0
358.2802429199219	116.0
358.3456726074219	160.0
358.3902587890625	276.0
358.4373779296875	136.0
358.4621887207031	180.0
358.5023498535156	216.0
358.5340270996094	260.0
358.5709228515625	232.0
358.6145935058594	116.0
358.65771484375	340.0
358.7257080078125	200.0
358.77288818359375	404.0
358.8110046386719	124.0
358.85595703125	108.0
358.8994140625	312.0
358.9469299316406	172.0
359.0291748046875	252.0
359.1142883300781	628.0
359.1996765136719	228656.0
359.3431091308594	128.0
359.4111022949219	104.0
359.43658447265625	132.0
359.4720458984375	172.0
359.5482177734375	440.0
359.6355285644531	336.0
359.684814453125	208.0
359.76593017578125	284.0
359.8192138671875	9632.0
359.8702087402344	376.0
359.9139099121094	296.0
359.9588623046875	216.0
360.02191162109375	144.0
360.0600280761719	220.0
360.086669921875	232.0
360.1429748535156	344.0
360.20037841796875	109812.0
360.3263244628906	160.0
360.4173278808594	108.0
360.4786071777344	192.0
360.5538635253906	208.0
360.5858459472656	152.0
360.6327209472656	180.0
360.7515563964844	244.0
360.81890869140625	288.0
360.865966796875	108.0
360.9339294433594	160.0
361.0007629394531	124.0
361.06689453125	208.0
361.115966796875	144.0
361.1490478515625	192.0
361.2016906738281	11236.0
361.38299560546875	160.0
361.4706726074219	168.0
361.5174865722656	180.0
361.5823669433594	240.0
361.65118408203125	324.0
361.76507568359375	164.0
361.8575439453125	112.0
361.9873962402344	168.0
362.0997314453125	160.0
362.20648193359375	708.0
362.2706604003906	308.0
362.2886657714844	304.0
362.3258056640625	396.0
362.3827209472656	164.0
362.4465026855469	348.0
362.4766845703125	220.0
362.5355224609375	356.0
362.56231689453125	272.0
362.62811279296875	312.0
362.7174072265625	220.0
362.7490234375	104.0
362.8275451660156	176.0
362.8796691894531	132.0
362.97186279296875	136.0
363.01348876953125	148.0
363.1149597167969	100.0
363.2009582519531	164.0
363.3350830078125	136.0
363.3709716796875	168.0
363.42266845703125	100.0
363.48028564453125	228.0
363.6091613769531	160.0
363.6488952636719	172.0
363.692138671875	108.0
363.7414245605469	132.0
364.32855224609375	140.0
365.3110046386719	104.0
365.5865173339844	112.0
366.47247314453125	104.0
367.1431884765625	212.0
367.3245849609375	100.0
369.1726989746094	100.0
370.15936279296875	100.0
371.5238342285156	128.0
374.7535095214844	140.0
383.60888671875	116.0
388.5744323730469	156.0
417.13873291015625	124.0
433.9955749511719	128.0
444.1094970703125	100.0
462.97216796875	148.0
550.61474609375	140.0
566.1129760742188	120.0
568.764404296875	100.0
746.7835083007812	152.0
783.9029541015625	140.0
950.17919921875	188.0
1220.3797607421875	152.0
1235.353271484375	156.0
1254.6162109375	288.0
1298.06689453125	228.0
1322.7574462890625	184.0
1339.2547607421875	172.0
1342.5343017578125	232.0
1364.6776123046875	156.0
1414.2413330078125	172.0
1447.2828369140625	152.0
1452.40576171875	176.0
1477.835205078125	172.0
1484.353515625	144.0
1494.0233154296875	148.0
1505.5079345703125	244.0
1525.707763671875	228.0
1526.6641845703125	172.0
1529.192626953125	152.0
1533.039794921875	160.0
1533.460693359375	152.0
1540.584716796875	172.0
1541.6942138671875	156.0
1542.93701171875	204.0
1547.0833740234375	148.0
1548.7982177734375	192.0
1548.9000244140625	196.0
1550.9451904296875	196.0
1561.7098388671875	172.0
1567.906005859375	156.0
1568.7415771484375	264.0
1594.158203125	196.0
1611.2950439453125	200.0
1615.212158203125	232.0
1620.872314453125	208.0
1623.124755859375	176.0
1634.5068359375	168.0
1644.6531982421875	156.0
1646.849365234375	176.0
1651.6483154296875	164.0
1655.21142578125	148.0
1655.6163330078125	176.0
1655.924072265625	180.0
1656.636962890625	204.0
1657.4227294921875	172.0
1675.1339111328125	216.0
1678.532470703125	152.0
1682.9305419921875	160.0
1688.266357421875	180.0
1693.78271484375	148.0
1697.798828125	244.0
1704.2015380859375	180.0
1711.184326171875	196.0
1713.3668212890625	152.0
1739.25	184.0
1739.814453125	164.0
1741.6163330078125	196.0
1748.8251953125	208.0
1749.466064453125	196.0
1752.8226318359375	164.0
1753.430908203125	172.0
1755.898681640625	164.0
1763.0115966796875	168.0
1768.9248046875	148.0
1772.7357177734375	184.0
1782.1588134765625	156.0
1785.6641845703125	208.0
1792.483154296875	188.0
1793.4608154296875	360.0
1800.3958740234375	180.0
1800.471923828125	252.0
1804.7138671875	144.0
1805.880859375	152.0
1805.999267578125	224.0
1809.81591796875	164.0
1817.342529296875	184.0
1823.108154296875	196.0
1825.675537109375	148.0
1827.9298095703125	224.0
1829.844970703125	152.0
1831.0711669921875	244.0
1831.86328125	224.0
1839.435546875	168.0
1840.1953125	140.0
1842.740478515625	232.0
1844.4068603515625	144.0
1845.236083984375	160.0
1847.07470703125	156.0
1856.2471923828125	148.0
1856.341552734375	232.0
1863.818115234375	140.0
1865.236083984375	148.0
1866.4913330078125	140.0
1866.6890869140625	148.0
1866.8868408203125	160.0
1871.59375	180.0
1871.8607177734375	188.0
1876.4791259765625	164.0
1879.14404296875	204.0
1880.636962890625	184.0
1882.6400146484375	144.0
1883.227294921875	248.0
1885.4552001953125	160.0
1887.496337890625	160.0
1888.6552734375	128.0
1890.2904052734375	200.0
1892.3936767578125	140.0
1897.6788330078125	140.0
1908.992919921875	148.0
1909.819091796875	176.0
1911.9681396484375	160.0
1913.0125732421875	216.0
1915.8341064453125	212.0
1916.35205078125	164.0
1916.940673828125	144.0
1919.4337158203125	192.0
1919.782470703125	180.0
1920.2969970703125	140.0
1922.3385009765625	184.0
1922.9530029296875	212.0
1928.0059814453125	220.0
1933.813232421875	188.0
1935.1700439453125	172.0
1939.076904296875	224.0
1947.6226806640625	160.0
1950.5135498046875	176.0
1962.213134765625	140.0
1965.785400390625	168.0
1966.0048828125	164.0
1971.7728271484375	148.0
1972.6385498046875	152.0
1972.780517578125	160.0
1974.495849609375	140.0
1975.2830810546875	156.0
1977.672119140625	152.0
1977.7783203125	196.0
1981.0103759765625	140.0
1981.4444580078125	144.0
1981.6038818359375	164.0
1983.3319091796875	160.0
1985.5928955078125	180.0
1991.69921875	140.0
1997.948486328125	176.0
1999.1229248046875	168.0
2001.054443359375	204.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079242
PEPMASS=513.221252
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=35.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_E27F27G26H26_BE5_01_15741.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=GLIMEPIRIDE [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)C1=O
INCHI=InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-
INCHIAUX=WIGIZIANZCJQQY-RUCARUNLSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079242
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079242
SCANS=2085
50.31387710571289	176.0
58.227779388427734	204.0
58.85213088989258	172.0
109.61852264404297	188.0
114.1247787475586	152.0
115.12689208984375	192.0
126.09322357177734	192.0
128.0983123779297	184.0
148.07469177246094	792.0
152.72714233398438	148.0
163.92735290527344	140.0
164.0446014404297	240.0
168.02476501464844	148.0
172.45230102539062	148.0
179.91497802734375	184.0
181.0984344482422	180.0
182.04359436035156	152.0
192.30821228027344	184.0
195.5426788330078	184.0
204.5445098876953	164.0
205.5648193359375	188.0
213.55767822265625	192.0
216.1591796875	148.0
220.76589965820312	164.0
226.55215454101562	148.0
226.95376586914062	168.0
228.34112548828125	192.0
231.73410034179688	156.0
236.13893127441406	184.0
248.5029296875	172.0
249.031005859375	1736.0
250.03158569335938	684.0
251.03289794921875	324.0
256.0995178222656	188.0
259.0253601074219	172.0
259.2207946777344	156.0
266.0035400390625	216.0
267.58673095703125	196.0
274.24658203125	148.0
277.4132385253906	160.0
278.0865783691406	136.0
283.0128173828125	120.0
284.0123596191406	140.0
291.57879638671875	240.0
294.8984069824219	188.0
300.1164245605469	140.0
305.6480712890625	196.0
308.56390380859375	212.0
317.34844970703125	140.0
335.4331970214844	160.0
336.3487548828125	160.0
345.33258056640625	148.0
346.17266845703125	160.0
349.49114990234375	148.0
351.6824035644531	156.0
352.12286376953125	160.0
352.7544250488281	140.0
353.9740905761719	144.0
371.1095886230469	156.0
371.6120300292969	192.0
373.2828674316406	200.0
373.46746826171875	152.0
373.6752014160156	164.0
373.717529296875	148.0
374.1153564453125	18432.0
375.1183166503906	2312.0
376.1179504394531	1572.0
376.160888671875	176.0
377.1182556152344	292.0
378.103271484375	232.0
378.2693786621094	96.0
379.1105041503906	188.0
384.0957336425781	772.0
384.5965881347656	676.0
385.6034240722656	188.0
386.09375	144.0
386.5928649902344	184.0
387.8186950683594	140.0
388.13079833984375	984.0
389.1371154785156	560.0
390.0811462402344	132.0
393.06494140625	140.0
396.7511291503906	144.0
397.0764465332031	212.0
397.1357727050781	144.0
397.5860900878906	268.0
398.09503173828125	348.0
398.57684326171875	148.0
399.0697326660156	144.0
400.0954895019531	8796.0
400.28826904296875	136.0
400.5514831542969	108.0
401.02032470703125	192.0
401.0979919433594	2208.0
402.09918212890625	240.0
403.09326171875	120.0
403.12750244140625	148.0
404.02313232421875	140.0
404.11114501953125	224.0
406.7521057128906	252.0
408.09149169921875	596.0
409.100830078125	168.0
410.1228332519531	176.0
411.5347595214844	144.0
411.63165283203125	152.0
411.837646484375	180.0
416.3453674316406	148.0
423.114990234375	172.0
430.6846618652344	176.0
437.20635986328125	204.0
438.096435546875	104.0
440.10711669921875	132.0
440.6600646972656	164.0
441.65130615234375	176.0
443.0394287109375	160.0
443.1609191894531	168.0
444.5782165527344	160.0
446.6622314453125	192.0
447.1376037597656	180.0
447.1796875	168.0
448.1398010253906	164.0
450.3477783203125	148.0
453.6451416015625	1104.0
454.1491394042969	432.0
454.40142822265625	144.0
454.64788818359375	476.0
455.1381530761719	180.0
455.64862060546875	168.0
455.7048645019531	156.0
457.71246337890625	164.0
460.01043701171875	180.0
465.1214599609375	180.0
469.6307678222656	144.0
474.8988952636719	180.0
476.0880432128906	164.0
485.8873291015625	196.0
488.623291015625	144.0
495.1219177246094	144.0
495.2149353027344	160.0
497.9336853027344	240.0
498.9067687988281	152.0
501.0830383300781	176.0
501.7916564941406	140.0
506.7168273925781	168.0
508.7708435058594	160.0
509.583740234375	208.0
511.739501953125	152.0
511.958740234375	140.0
512.2957153320312	108.0
512.4091796875	148.0
512.6232299804688	200.0
512.8240966796875	228.0
513.051025390625	124.0
513.1080322265625	156.0
513.2164916992188	85132.0
513.3699340820312	176.0
513.5493774414062	136.0
513.621826171875	148.0
513.6688842773438	208.0
513.8497314453125	176.0
513.956298828125	108.0
514.0966186523438	204.0
514.2188110351562	19972.0
514.364501953125	128.0
514.4976196289062	184.0
514.5994262695312	96.0
514.6620483398438	184.0
514.7892456054688	164.0
514.91552734375	136.0
515.101318359375	116.0
515.2171020507812	6392.0
515.3161010742188	204.0
515.3775024414062	96.0
515.5987548828125	172.0
516.2163696289062	1144.0
516.6746215820312	104.0
516.7575073242188	144.0
516.8092041015625	148.0
516.9342651367188	136.0
517.1019287109375	108.0
517.161376953125	120.0
517.2203369140625	192.0
517.30078125	96.0
517.3389892578125	140.0
517.37451171875	136.0
517.447265625	112.0
517.9277954101562	120.0
518.3553466796875	164.0
529.180908203125	636.0
530.1969604492188	476.0
531.1666870117188	188.0
533.1731567382812	140.0
535.1962280273438	156.0
545.1470336914062	220.0
547.1995239257812	368.0
705.1915283203125	140.0
1435.491455078125	216.0
1614.73681640625	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079243
PEPMASS=491.238953
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=34.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_E27F27G26H26_BE5_01_15741.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=GLIMEPIRIDE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)C1=O
INCHI=InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-
INCHIAUX=WIGIZIANZCJQQY-RUCARUNLSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079243
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079243
SCANS=2087
46.02847671508789	184.0
48.110748291015625	180.0
50.41557693481445	200.0
50.86029815673828	200.0
52.67171859741211	172.0
54.522178649902344	184.0
56.58709716796875	204.0
56.747413635253906	164.0
57.73220443725586	208.0
59.321815490722656	144.0
59.634952545166016	184.0
59.92425537109375	148.0
60.42139434814453	172.0
65.08756256103516	196.0
65.44129943847656	224.0
66.90164947509766	204.0
67.12812805175781	140.0
67.59695434570312	172.0
68.25308990478516	148.0
68.38469696044922	148.0
68.60707092285156	212.0
70.36901092529297	172.0
71.43992614746094	140.0
71.83074188232422	164.0
73.9273910522461	212.0
77.19535827636719	144.0
77.64192199707031	184.0
78.22702026367188	144.0
79.87448120117188	140.0
83.27539825439453	180.0
84.79154968261719	160.0
86.74906921386719	176.0
89.61226654052734	156.0
89.65560150146484	148.0
91.1581802368164	212.0
92.73648834228516	168.0
93.11637115478516	180.0
93.5528564453125	200.0
94.32447052001953	160.0
95.72720336914062	168.0
95.93958282470703	140.0
96.04510498046875	176.0
97.05439758300781	196.0
97.24821472167969	180.0
97.5389175415039	160.0
98.06130981445312	432.0
98.09992980957031	212.0
98.40374755859375	212.0
99.44102478027344	160.0
101.01114654541016	212.0
102.07813262939453	252.0
102.29340362548828	192.0
103.0556411743164	1328.0
104.05645751953125	164.0
106.04314422607422	196.0
106.66712951660156	180.0
106.8419189453125	156.0
107.05392456054688	160.0
107.17134094238281	144.0
108.0508804321289	396.0
108.08258819580078	668.0
108.45700073242188	152.0
109.06690216064453	720.0
109.16679382324219	168.0
109.45812225341797	172.0
109.94801330566406	176.0
110.06491088867188	256.0
110.58963775634766	192.0
110.98348236083984	152.0
111.06946563720703	148.0
113.68142700195312	160.0
114.12945556640625	460.0
114.54676055908203	204.0
115.06497192382812	164.0
116.84811401367188	172.0
118.06538391113281	700.0
119.05184936523438	188.0
119.2266845703125	204.0
121.06434631347656	284.0
123.03146362304688	200.0
123.11094665527344	216.0
124.07646179199219	1176.0
124.10005950927734	140.0
124.61053466796875	240.0
125.0784912109375	272.0
126.0920639038086	20480.0
126.14675903320312	172.0
126.33702087402344	108.0
127.03055572509766	164.0
127.0941390991211	2036.0
128.09521484375	180.0
131.06277465820312	452.0
131.0876922607422	128.0
132.0642852783203	160.0
134.571044921875	192.0
137.00392150878906	148.0
138.09634399414062	148.0
139.02410888671875	144.0
143.28506469726562	148.0
145.04629516601562	144.0
145.5068817138672	152.0
146.05943298339844	160.0
146.29542541503906	172.0
147.0522918701172	188.0
150.05307006835938	304.0
150.2212677001953	212.0
151.02114868164062	128.0
151.0855255126953	956.0
152.01712036132812	148.0
152.07118225097656	4844.0
153.0733184814453	548.0
153.6361083984375	148.0
154.0730743408203	200.0
154.63189697265625	180.0
158.5369873046875	156.0
161.0604705810547	160.0
161.08045959472656	136.0
161.22935485839844	128.0
162.05467224121094	148.0
163.07989501953125	140.0
165.18606567382812	244.0
166.02871704101562	292.0
167.01658630371094	2712.0
168.02337646484375	528.0
168.06346130371094	300.0
169.09713745117188	156.0
170.05609130859375	204.0
170.0802764892578	1604.0
170.10801696777344	164.0
171.0845489501953	320.0
172.08396911621094	168.0
174.06607055664062	1048.0
175.0670166015625	196.0
175.376220703125	200.0
178.0670166015625	208.0
179.02442932128906	148.0
179.08468627929688	356.0
180.08587646484375	148.0
181.09751892089844	4340.0
182.1009521484375	1072.0
183.08006286621094	188.0
183.4851531982422	100.0
183.56399536132812	144.0
184.04046630859375	96.0
185.134033203125	156.0
186.03421020507812	288.0
186.2921905517578	168.0
188.040283203125	176.0
189.18557739257812	152.0
191.82749938964844	100.0
192.0119171142578	280.0
196.64356994628906	156.0
201.59202575683594	148.0
203.65736389160156	200.0
203.8164520263672	200.0
206.05307006835938	164.0
206.22738647460938	184.0
209.3344268798828	164.0
210.0225067138672	1500.0
211.0205841064453	296.0
212.0194854736328	276.0
212.2347412109375	128.0
224.7254638671875	140.0
225.1762237548828	196.0
226.1209716796875	148.0
228.1372528076172	304.0
229.06814575195312	292.0
229.14483642578125	144.0
232.598388671875	164.0
242.21798706054688	232.0
243.15220642089844	456.0
244.1485137939453	152.0
246.04144287109375	264.0
246.92727661132812	152.0
247.03988647460938	140.0
252.43711853027344	192.0
253.13360595703125	300.0
254.1343231201172	300.0
255.14170837402344	172.0
255.29750061035156	204.0
265.954833984375	164.0
270.06353759765625	168.0
270.1420593261719	160.0
271.1393127441406	404.0
272.34808349609375	164.0
273.1435241699219	164.0
274.0916748046875	148.0
274.1806640625	148.0
287.1351318359375	328.0
288.142333984375	160.0
288.92718505859375	144.0
292.0969543457031	384.0
308.5429382324219	176.0
310.03753662109375	164.0
310.1690979003906	172.0
317.1038513183594	232.0
333.3622741699219	148.0
334.114501953125	116.0
334.9376220703125	180.0
335.1065368652344	2800.0
336.0422058105469	176.0
336.1091003417969	516.0
337.10443115234375	484.0
337.1340026855469	180.0
338.1044921875	128.0
339.1065979003906	144.0
339.6220703125	184.0
343.4968566894531	172.0
346.29119873046875	148.0
346.6616516113281	156.0
349.3869934082031	184.0
349.83355712890625	188.0
350.6977233886719	208.0
350.81329345703125	176.0
351.0805969238281	172.0
351.3279113769531	140.0
351.4211730957031	184.0
351.5592346191406	144.0
351.5870056152344	176.0
351.8740234375	140.0
352.0478515625	152.0
352.13458251953125	96252.0
352.2499694824219	112.0
352.284423828125	176.0
352.40167236328125	120.0
352.4373779296875	128.0
352.6295166015625	236.0
352.6986999511719	144.0
352.7487487792969	188.0
352.8030090332031	156.0
352.8458251953125	224.0
353.0741882324219	156.0
353.1369934082031	18088.0
353.2229919433594	104.0
353.3434143066406	104.0
353.69873046875	152.0
353.7484436035156	132.0
354.1311950683594	3404.0
354.75445556640625	216.0
355.09320068359375	148.0
355.1330871582031	732.0
355.2022705078125	108.0
355.2934265136719	212.0
355.5246887207031	196.0
355.6227722167969	132.0
356.2024230957031	108.0
356.41961669921875	100.0
356.9084167480469	228.0
357.6336975097656	96.0
366.1495056152344	148.0
370.1429138183594	228.0
374.3334045410156	176.0
378.1136779785156	3004.0
379.11688232421875	856.0
380.1128234863281	224.0
381.1258544921875	152.0
394.19427490234375	140.0
395.14337158203125	320.0
396.140869140625	152.0
428.03289794921875	172.0
432.21429443359375	148.0
439.1477966308594	164.0
453.2608947753906	168.0
457.50811767578125	164.0
491.235595703125	888.0
492.2351379394531	280.0
493.22613525390625	392.0
587.4345703125	140.0
631.0615844726562	152.0
1146.1370849609375	176.0
1164.8299560546875	220.0
1493.1275634765625	184.0
1596.41015625	144.0
1630.3218994140625	164.0
1640.24560546875	152.0
1702.399169921875	140.0
1706.8529052734375	164.0
1790.2474365234375	196.0
1822.9263916015625	156.0
1855.6693115234375	164.0
1880.3056640625	188.0
1894.6767578125	176.0
1900.92822265625	180.0
1921.47998046875	156.0
1929.2525634765625	176.0
1982.4068603515625	224.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079244
PEPMASS=430.28244
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=32.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_E27F27G26H26_BE5_01_15741.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(8S,11R,13S,14S,17S)-11-(4-(dimethylamino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-6,7,8,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@@]21C)c5ccc(cc5)N(C)C
INCHI=InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
INCHIAUX=VKHAHZOOUSRJNA-GCNJZUOMSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079244
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079244
SCANS=1194
45.39680862426758	172.0
45.663124084472656	160.0
46.03103256225586	164.0
46.86933517456055	164.0
47.00569534301758	140.0
47.13132095336914	140.0
47.422813415527344	140.0
47.450042724609375	148.0
47.9726448059082	180.0
48.48406219482422	168.0
48.74078369140625	160.0
48.871490478515625	172.0
48.90349578857422	148.0
49.30237579345703	148.0
49.76603698730469	140.0
50.56674575805664	196.0
51.2255859375	152.0
51.37669372558594	148.0
52.25492858886719	196.0
53.065185546875	188.0
53.477745056152344	140.0
53.99861526489258	180.0
54.95936584472656	160.0
55.17204284667969	140.0
55.91221237182617	144.0
55.95984649658203	156.0
57.10012435913086	216.0
59.143943786621094	160.0
59.39523696899414	172.0
61.080509185791016	228.0
61.512142181396484	212.0
61.898311614990234	252.0
62.4711799621582	188.0
63.14312744140625	140.0
63.19532775878906	168.0
63.78845977783203	156.0
64.16256713867188	184.0
64.64013671875	176.0
64.98463439941406	192.0
65.44754028320312	216.0
66.59736633300781	180.0
67.39398193359375	244.0
68.3746109008789	156.0
68.62499237060547	144.0
68.79822540283203	160.0
69.08908081054688	180.0
69.39878845214844	188.0
69.69921875	148.0
70.43058013916016	148.0
71.61981964111328	220.0
72.1615219116211	172.0
72.20379638671875	148.0
73.72879028320312	144.0
73.87754821777344	164.0
74.1429443359375	164.0
74.35903930664062	188.0
74.92820739746094	204.0
75.16614532470703	156.0
75.25244903564453	152.0
75.44248962402344	148.0
76.24849700927734	216.0
76.47981262207031	188.0
76.74470520019531	148.0
78.3729476928711	176.0
78.89006042480469	156.0
79.9952392578125	152.0
80.08450317382812	184.0
80.36772155761719	144.0
80.38199615478516	172.0
81.42388153076172	156.0
81.58380126953125	152.0
81.63594818115234	160.0
81.7769775390625	164.0
82.10597229003906	184.0
83.2279281616211	188.0
83.32781982421875	184.0
84.2789077758789	220.0
84.47635650634766	232.0
84.8536148071289	160.0
85.34567260742188	164.0
85.44683074951172	144.0
85.89633178710938	148.0
85.99596405029297	152.0
86.53575134277344	152.0
86.59315490722656	160.0
87.67442321777344	168.0
87.73033905029297	160.0
87.92992401123047	204.0
88.09610748291016	172.0
88.82991790771484	148.0
88.98944091796875	180.0
89.32771301269531	184.0
89.43309020996094	192.0
89.79106140136719	164.0
90.23292541503906	224.0
91.05099487304688	364.0
91.67550659179688	164.0
91.95967102050781	180.0
92.07422637939453	140.0
93.07090759277344	160.0
93.67388153076172	168.0
93.76444244384766	184.0
93.93604278564453	152.0
94.06919860839844	140.0
94.32418060302734	140.0
95.01551818847656	144.0
95.08655548095703	156.0
95.61788940429688	148.0
96.31004333496094	144.0
97.065673828125	332.0
97.76873016357422	200.0
98.14891815185547	232.0
98.67411041259766	140.0
98.69190979003906	168.0
99.50225830078125	184.0
100.52732849121094	180.0
100.96883392333984	164.0
101.12488555908203	184.0
102.06172943115234	148.0
102.2387466430664	156.0
102.51866912841797	156.0
103.05339813232422	456.0
103.1815414428711	168.0
103.21105194091797	140.0
104.05594635009766	160.0
104.79627227783203	220.0
105.07132720947266	976.0
106.06309509277344	188.0
106.50035858154297	160.0
106.9368896484375	128.0
107.04820251464844	908.0
107.07376098632812	1048.0
107.30290985107422	188.0
107.45965576171875	152.0
108.07952880859375	256.0
109.06498718261719	404.0
109.09992218017578	160.0
109.82874298095703	200.0
109.94766998291016	176.0
111.27267456054688	172.0
111.60043334960938	164.0
112.96282958984375	152.0
114.95149230957031	156.0
115.05342102050781	164.0
115.26752471923828	236.0
117.02208709716797	156.0
117.06950378417969	616.0
118.0638198852539	592.0
118.71398162841797	164.0
119.08453369140625	1104.0
119.11266326904297	220.0
119.77677154541016	168.0
120.08091735839844	892.0
120.26737976074219	168.0
120.83335876464844	188.0
121.06441497802734	724.0
121.08699798583984	1128.0
121.5871353149414	156.0
122.09648132324219	3808.0
123.07968139648438	852.0
123.09859466552734	464.0
123.29613494873047	204.0
124.07971954345703	172.0
124.1088638305664	136.0
124.44801330566406	172.0
124.62126159667969	180.0
124.6523666381836	176.0
124.70570373535156	148.0
125.0955581665039	324.0
125.80608367919922	180.0
126.90681457519531	140.0
127.05546569824219	328.0
127.1894760131836	184.0
128.00782775878906	156.0
128.063232421875	760.0
128.091064453125	176.0
128.15875244140625	212.0
128.44956970214844	148.0
128.65040588378906	160.0
129.0692138671875	932.0
129.09326171875	152.0
129.65695190429688	180.0
130.01527404785156	168.0
130.0746307373047	336.0
130.09698486328125	176.0
130.32864379882812	176.0
130.3922576904297	144.0
130.71519470214844	140.0
130.9701690673828	164.0
131.05181884765625	172.0
131.08522033691406	1336.0
131.8805694580078	172.0
132.08526611328125	284.0
132.57861328125	188.0
132.70008850097656	176.0
133.0645751953125	2020.0
133.09808349609375	556.0
133.84893798828125	144.0
134.06895446777344	456.0
134.09657287597656	15812.0
134.1618194580078	112.0
134.4404296875	128.0
134.50599670410156	176.0
134.548828125	108.0
134.9408721923828	176.0
135.08021545410156	2592.0
135.10035705566406	1876.0
135.59469604492188	188.0
135.6151580810547	136.0
135.70433044433594	140.0
135.80209350585938	104.0
136.0826873779297	288.0
136.11634826660156	320.0
136.2039337158203	100.0
137.01513671875	216.0
137.09385681152344	568.0
138.0047149658203	144.0
138.09971618652344	284.0
138.38609313964844	156.0
138.65313720703125	148.0
138.74220275878906	176.0
138.85475158691406	140.0
139.70269775390625	160.0
140.0595703125	192.0
140.25372314453125	176.0
141.06980895996094	588.0
141.84925842285156	164.0
142.05555725097656	148.0
142.0782012939453	636.0
142.2026824951172	200.0
142.44248962402344	196.0
143.02029418945312	196.0
143.05123901367188	148.0
143.0857696533203	1616.0
143.37278747558594	224.0
143.4395294189453	160.0
143.8211669921875	152.0
143.92620849609375	164.0
144.0553741455078	296.0
144.08282470703125	568.0
144.50941467285156	164.0
144.64820861816406	200.0
145.0645751953125	1308.0
145.10009765625	876.0
145.38401794433594	160.0
145.47042846679688	140.0
145.65773010253906	228.0
146.07241821289062	172.0
146.0970916748047	1496.0
146.5695343017578	168.0
147.04701232910156	188.0
147.07913208007812	820.0
147.1034393310547	656.0
147.56581115722656	136.0
147.98977661132812	216.0
148.0767822265625	1032.0
148.11178588867188	4096.0
148.33474731445312	112.0
149.08033752441406	444.0
149.09829711914062	848.0
149.11679077148438	548.0
150.05613708496094	192.0
150.0933074951172	796.0
151.05133056640625	148.0
151.10943603515625	144.0
151.9711151123047	180.0
152.06703186035156	188.0
152.37022399902344	176.0
152.58895874023438	248.0
153.06919860839844	408.0
154.07513427734375	352.0
155.08639526367188	1268.0
155.40394592285156	208.0
155.75709533691406	144.0
155.83013916015625	196.0
155.9210662841797	180.0
156.08871459960938	968.0
156.453369140625	140.0
157.06527709960938	960.0
157.10096740722656	1032.0
157.50819396972656	168.0
157.92311096191406	216.0
158.07113647460938	300.0
158.09642028808594	2116.0
158.60665893554688	160.0
158.91261291503906	140.0
158.975341796875	192.0
159.0814208984375	2492.0
159.1048583984375	1280.0
159.3168182373047	160.0
159.37948608398438	144.0
160.02603149414062	172.0
160.0874786376953	688.0
160.11160278320312	5188.0
160.6283416748047	148.0
161.05996704101562	144.0
161.09640502929688	2468.0
161.1509246826172	280.0
162.1003875732422	740.0
162.1268310546875	2500.0
162.60443115234375	228.0
163.1120147705078	552.0
163.384521484375	144.0
163.42970275878906	180.0
164.1094207763672	128.0
164.2965545654297	184.0
165.0726776123047	440.0
165.1030731201172	148.0
165.1251220703125	128.0
165.60533142089844	148.0
165.7037353515625	196.0
165.769287109375	188.0
165.97178649902344	176.0
166.07533264160156	372.0
166.79588317871094	168.0
167.08572387695312	1056.0
167.39791870117188	160.0
168.08990478515625	504.0
168.9413604736328	160.0
169.0727081298828	172.0
169.10157775878906	840.0
169.5731658935547	156.0
169.71315002441406	184.0
169.7935333251953	148.0
169.9465789794922	144.0
170.09669494628906	348.0
170.1671905517578	156.0
170.25999450683594	124.0
170.38015747070312	208.0
170.51527404785156	168.0
170.7466583251953	144.0
171.027587890625	152.0
171.08084106445312	864.0
171.1099395751953	952.0
172.08831787109375	288.0
172.11155700683594	4748.0
172.99583435058594	184.0
173.05450439453125	136.0
173.09657287597656	3548.0
173.115966796875	1296.0
174.01828002929688	148.0
174.0576629638672	196.0
174.1013641357422	2480.0
174.12649536132812	2012.0
175.08253479003906	164.0
175.13381958007812	1096.0
175.50863647460938	156.0
175.5655059814453	152.0
176.11209106445312	284.0
176.14024353027344	272.0
176.9236297607422	168.0
177.45187377929688	164.0
177.67626953125	160.0
178.07595825195312	196.0
178.49697875976562	176.0
179.04251098632812	228.0
179.08509826660156	684.0
179.13572692871094	188.0
179.18634033203125	184.0
180.09228515625	304.0
180.13339233398438	140.0
181.05882263183594	180.0
181.1006622314453	820.0
181.5626678466797	148.0
181.61898803710938	156.0
182.0702667236328	276.0
182.1044158935547	368.0
182.443359375	244.0
182.97872924804688	152.0
183.08135986328125	908.0
183.1144256591797	860.0
183.1510772705078	148.0
184.08349609375	140.0
184.1118927001953	1560.0
185.0955352783203	1376.0
185.12152099609375	1320.0
186.0227813720703	204.0
186.09852600097656	364.0
186.1276397705078	1768.0
186.36769104003906	204.0
186.49269104003906	188.0
186.54977416992188	160.0
186.68505859375	132.0
187.0530242919922	160.0
187.1093292236328	1040.0
187.13417053222656	1024.0
188.11497497558594	252.0
188.1438446044922	2236.0
188.2402801513672	136.0
188.2978057861328	104.0
188.35916137695312	224.0
188.97894287109375	152.0
189.073974609375	200.0
189.0931854248047	160.0
189.1318359375	292.0
189.3233184814453	116.0
189.35476684570312	148.0
190.07171630859375	248.0
190.12110900878906	328.0
190.1539764404297	180.0
191.086669921875	296.0
191.35107421875	160.0
192.09417724609375	628.0
193.1016387939453	1348.0
194.1074676513672	228.0
194.95803833007812	152.0
195.0801239013672	708.0
195.1160430908203	660.0
195.17926025390625	104.0
195.20545959472656	176.0
196.08407592773438	380.0
196.11000061035156	552.0
197.0986328125	836.0
197.12913513183594	592.0
197.72348022460938	156.0
198.1023406982422	812.0
198.127197265625	1724.0
198.19500732421875	148.0
198.56503295898438	188.0
198.69406127929688	192.0
199.05052185058594	156.0
199.11399841308594	1124.0
199.13046264648438	1460.0
200.07957458496094	156.0
200.11614990234375	380.0
200.1426239013672	1292.0
200.3481903076172	136.0
200.4541778564453	168.0
200.6712188720703	184.0
200.90248107910156	144.0
201.1257781982422	1040.0
201.99571228027344	176.0
202.0811309814453	284.0
202.12232971191406	392.0
202.95294189453125	152.0
203.09005737304688	204.0
204.09530639648438	192.0
204.13719177246094	136.0
204.9995574951172	140.0
205.10003662109375	384.0
206.10557556152344	380.0
207.03067016601562	192.0
207.1131134033203	892.0
207.42105102539062	268.0
207.52926635742188	148.0
208.1167755126953	568.0
208.2007293701172	184.0
208.4022674560547	124.0
208.59149169921875	152.0
209.098388671875	1336.0
209.12998962402344	1108.0
210.1016845703125	1284.0
210.1282501220703	744.0
210.1841278076172	180.0
210.70616149902344	144.0
210.75582885742188	156.0
211.1109619140625	2764.0
211.97930908203125	160.0
212.0609588623047	196.0
212.11264038085938	416.0
212.1437225341797	844.0
212.33639526367188	176.0
213.0961151123047	260.0
213.1259002685547	1228.0
213.14862060546875	1164.0
213.17828369140625	168.0
214.0939483642578	152.0
214.1268768310547	304.0
214.15745544433594	932.0
215.10537719726562	976.0
215.13467407226562	368.0
215.1691131591797	500.0
216.1089630126953	120.0
216.17550659179688	396.0
216.22874450683594	180.0
217.04312133789062	160.0
217.09764099121094	308.0
217.14744567871094	112.0
217.1720733642578	132.0
218.1093292236328	412.0
218.1548309326172	140.0
219.11709594726562	936.0
220.08941650390625	240.0
220.1221466064453	716.0
221.09402465820312	1080.0
221.1263885498047	1064.0
221.26625061035156	108.0
221.64198303222656	124.0
222.12757873535156	1440.0
222.20892333984375	148.0
222.26409912109375	184.0
223.11309814453125	1780.0
223.13832092285156	740.0
223.50613403320312	252.0
224.1174774169922	356.0
224.1410675048828	2284.0
224.76654052734375	196.0
225.1273651123047	2364.0
225.15023803710938	1924.0
226.06341552734375	144.0
226.12783813476562	592.0
226.1584930419922	996.0
226.90208435058594	152.0
226.95542907714844	136.0
227.09237670898438	324.0
227.14076232910156	1660.0
227.16690063476562	556.0
227.302001953125	180.0
227.66122436523438	148.0
228.14096069335938	1084.0
228.16676330566406	260.0
229.12078857421875	284.0
229.15115356445312	300.0
230.10736083984375	192.0
230.1519775390625	280.0
231.11428833007812	472.0
231.14523315429688	228.0
232.0212860107422	208.0
232.11790466308594	148.0
232.6371307373047	232.0
232.7555389404297	172.0
233.0106658935547	160.0
233.0926971435547	336.0
233.12991333007812	576.0
233.26785278320312	172.0
233.6825714111328	144.0
234.09799194335938	348.0
234.13104248046875	784.0
235.10923767089844	748.0
235.13800048828125	956.0
235.63381958007812	168.0
236.1436767578125	5152.0
236.20242309570312	232.0
236.32174682617188	156.0
237.05355834960938	208.0
237.14923095703125	2016.0
237.5226287841797	148.0
237.74661254882812	140.0
238.12730407714844	692.0
238.1599884033203	1720.0
239.10775756835938	396.0
239.13877868652344	556.0
239.8719024658203	200.0
240.0647430419922	180.0
240.1376495361328	1448.0
240.1735076904297	1656.0
240.386962890625	192.0
241.11802673339844	288.0
241.14944458007812	448.0
242.1529083251953	2424.0
242.19772338867188	424.0
243.13510131835938	580.0
243.15484619140625	664.0
243.72645568847656	108.0
244.11920166015625	396.0
244.1470947265625	484.0
244.3623809814453	180.0
245.0980682373047	156.0
245.13137817382812	312.0
245.19378662109375	148.0
245.65525817871094	188.0
246.0369415283203	104.0
246.1295928955078	328.0
246.21395874023438	140.0
246.35137939453125	140.0
246.69825744628906	148.0
247.13858032226562	304.0
248.14443969726562	716.0
248.2069549560547	100.0
248.34844970703125	168.0
248.65652465820312	104.0
248.9060516357422	100.0
249.15292358398438	2296.0
249.53860473632812	168.0
249.8216552734375	148.0
250.0954132080078	148.0
250.1240692138672	392.0
250.1584930419922	1976.0
250.84823608398438	196.0
251.02325439453125	148.0
251.14364624023438	1424.0
251.30868530273438	152.0
251.9053497314453	140.0
251.94180297851562	156.0
252.1431427001953	1156.0
252.1696014404297	652.0
252.71151733398438	156.0
252.85708618164062	144.0
253.1453094482422	492.0
253.17611694335938	324.0
253.211669921875	192.0
254.09288024902344	240.0
254.14842224121094	508.0
254.1929931640625	456.0
254.43881225585938	240.0
255.13995361328125	356.0
255.19056701660156	200.0
256.14068603515625	156.0
256.1672668457031	664.0
256.2293395996094	176.0
256.4778747558594	164.0
257.1212463378906	152.0
257.1534118652344	316.0
257.1808776855469	296.0
257.92279052734375	136.0
258.1310729980469	392.0
259.11065673828125	160.0
259.13720703125	160.0
259.4154968261719	140.0
260.1466979980469	544.0
260.19287109375	112.0
260.7700500488281	140.0
261.1482849121094	908.0
261.4743957519531	144.0
261.9278564453125	128.0
262.1595764160156	1548.0
263.0892639160156	192.0
263.1417236328125	472.0
263.17047119140625	1024.0
263.2022705078125	232.0
264.1425476074219	600.0
264.1749267578125	2436.0
264.50189208984375	200.0
265.10430908203125	184.0
265.1554870605469	2116.0
265.9540100097656	312.0
266.1553039550781	1528.0
266.1898498535156	1728.0
266.45086669921875	224.0
266.6263122558594	164.0
267.1670227050781	1388.0
267.2713928222656	160.0
267.4133605957031	160.0
267.78778076171875	180.0
268.03863525390625	208.0
268.14532470703125	416.0
268.1694030761719	1184.0
268.8440856933594	168.0
268.90283203125	148.0
269.1020812988281	96.0
269.1530456542969	5396.0
270.157470703125	1276.0
270.51751708984375	172.0
270.6059265136719	160.0
270.72052001953125	152.0
271.05792236328125	144.0
271.1133728027344	152.0
271.1434020996094	304.0
271.7202453613281	148.0
272.1430969238281	540.0
273.15142822265625	1172.0
274.0677795410156	152.0
274.1585998535156	2112.0
274.9557189941406	128.0
275.1630859375	1180.0
276.1737365722656	816.0
276.72991943359375	156.0
276.92529296875	148.0
277.1499328613281	456.0
277.1799011230469	496.0
277.39581298828125	228.0
278.15380859375	1068.0
278.18743896484375	1380.0
278.8662414550781	140.0
279.1311340332031	160.0
279.16278076171875	1368.0
279.192626953125	584.0
279.7943115234375	144.0
280.16949462890625	4340.0
280.213623046875	300.0
280.2578125	164.0
280.803955078125	152.0
280.9548645019531	132.0
281.1766052246094	1784.0
281.551513671875	176.0
282.0703125	140.0
282.18572998046875	2432.0
282.2365417480469	156.0
282.49407958984375	228.0
283.17449951171875	832.0
284.1448669433594	260.0
284.2011413574219	852.0
285.1568603515625	152.0
285.209716796875	384.0
286.1587829589844	476.0
286.5562438964844	184.0
287.0091552734375	160.0
287.04498291015625	168.0
287.16021728515625	364.0
287.5408935546875	120.0
287.9242248535156	104.0
288.1346435546875	176.0
288.1744384765625	7880.0
288.2264099121094	148.0
288.4566345214844	136.0
288.9670715332031	152.0
289.17645263671875	1388.0
289.4610595703125	232.0
289.6304016113281	144.0
289.7049255371094	164.0
290.15521240234375	424.0
290.18499755859375	1160.0
290.2607421875	200.0
290.70172119140625	148.0
291.05474853515625	140.0
291.113525390625	144.0
291.1742858886719	3580.0
291.3910217285156	140.0
291.5574951171875	200.0
291.60711669921875	148.0
291.67987060546875	152.0
291.8872375488281	180.0
292.1755065917969	1120.0
292.6460266113281	160.0
293.06134033203125	140.0
293.1722106933594	356.0
293.21148681640625	168.0
294.0609436035156	112.0
294.1820983886719	508.0
294.6531677246094	120.0
295.1451416015625	180.0
295.1880187988281	164.0
296.1667175292969	96.0
296.1995544433594	1196.0
296.2643737792969	120.0
297.1701354980469	132.0
297.2073059082031	368.0
297.30352783203125	172.0
297.82696533203125	212.0
298.1560974121094	476.0
298.20428466796875	152.0
298.75164794921875	164.0
299.166015625	316.0
299.2265625	152.0
300.17364501953125	1008.0
300.7640380859375	148.0
301.1458740234375	192.0
301.18438720703125	764.0
301.3269348144531	140.0
302.1542663574219	132.0
302.193359375	676.0
302.4577331542969	172.0
303.1528015136719	344.0
303.1641845703125	164.0
303.1930236816406	408.0
304.1700744628906	484.0
304.200927734375	240.0
304.2087097167969	360.0
304.84039306640625	144.0
305.1777648925781	1056.0
305.2099914550781	144.0
305.7375793457031	152.0
305.9464111328125	148.0
306.1835632324219	2288.0
306.3625183105469	100.0
306.93939208984375	188.0
307.1881103515625	1188.0
307.3021545410156	196.0
307.63018798828125	200.0
307.766357421875	216.0
308.1987609863281	896.0
308.2535705566406	156.0
308.78802490234375	164.0
309.0946044921875	188.0
309.184326171875	6796.0
310.0926513671875	140.0
310.1898193359375	1316.0
310.6431579589844	140.0
311.12493896484375	112.0
311.1863708496094	360.0
311.3802490234375	168.0
312.17095947265625	328.0
312.26593017578125	168.0
313.18011474609375	476.0
314.1884765625	1620.0
314.3569030761719	200.0
315.1916809082031	400.0
316.05517578125	132.0
316.1691589355469	932.0
316.21099853515625	584.0
317.17694091796875	764.0
317.535400390625	180.0
317.8348693847656	176.0
318.18304443359375	588.0
318.8561096191406	156.0
318.92132568359375	104.0
319.1950378417969	600.0
319.3396301269531	184.0
320.2020568847656	756.0
320.24127197265625	280.0
320.6569519042969	220.0
321.1662292480469	124.0
321.20489501953125	476.0
321.3487548828125	148.0
322.1377258300781	156.0
322.21624755859375	692.0
322.64874267578125	144.0
323.2138366699219	156.0
323.28900146484375	160.0
324.177734375	284.0
324.72918701171875	168.0
325.18505859375	240.0
326.0431823730469	340.0
326.1868591308594	516.0
327.1791687011719	196.0
327.5795593261719	164.0
328.1114807128906	308.0
328.1686706542969	188.0
328.2049255371094	688.0
328.86322021484375	184.0
329.1234130859375	244.0
329.1789855957031	508.0
329.2145080566406	140.0
329.39398193359375	172.0
329.5565490722656	176.0
330.0011291503906	232.0
330.186279296875	708.0
330.21844482421875	304.0
331.0794372558594	164.0
331.1932678222656	540.0
332.2008361816406	3552.0
333.205810546875	1224.0
333.8047180175781	172.0
334.2127685546875	716.0
334.3537292480469	140.0
334.5604553222656	144.0
334.8656921386719	180.0
335.22015380859375	152.0
336.19805908203125	240.0
336.2309875488281	252.0
336.2637634277344	184.0
336.30389404296875	164.0
337.2432556152344	132.0
338.19720458984375	176.0
338.23016357421875	168.0
338.6100769042969	172.0
339.1458740234375	196.0
339.197265625	668.0
339.6066589355469	148.0
339.74725341796875	148.0
340.20513916015625	496.0
341.1169738769531	168.0
341.2065734863281	240.0
342.1797790527344	160.0
343.1233215332031	140.0
343.20062255859375	288.0
343.56585693359375	168.0
344.1452941894531	176.0
344.19964599609375	696.0
344.8175964355469	196.0
345.1347961425781	144.0
345.1811218261719	132.0
345.21246337890625	200.0
346.2160949707031	1972.0
346.6012878417969	164.0
346.7458190917969	160.0
347.2148742675781	388.0
348.23193359375	1476.0
348.7314453125	152.0
348.87640380859375	160.0
349.1924743652344	140.0
349.2344970703125	664.0
349.28173828125	144.0
350.1986999511719	196.0
350.80474853515625	160.0
352.20648193359375	128.0
353.2806091308594	152.0
353.54998779296875	152.0
354.1788330078125	164.0
354.2234802246094	716.0
355.19085693359375	172.0
355.2267150878906	312.0
356.2021484375	256.0
357.1380920410156	132.0
357.2060546875	456.0
358.0324401855469	224.0
358.1492004394531	124.0
358.21685791015625	732.0
358.2998962402344	184.0
359.1778564453125	128.0
359.2212829589844	928.0
360.03375244140625	172.0
360.1843566894531	152.0
360.2324523925781	1768.0
360.5941162109375	216.0
361.2371520996094	388.0
361.7262268066406	140.0
362.2043151855469	168.0
363.8949890136719	176.0
364.2005920410156	116.0
365.1855163574219	164.0
365.25018310546875	200.0
365.32244873046875	160.0
365.61163330078125	248.0
366.2178039550781	276.0
366.6817932128906	176.0
367.1278381347656	144.0
367.51690673828125	212.0
368.19854736328125	156.0
369.2046203613281	260.0
369.503662109375	180.0
370.2142333984375	132.0
371.2579650878906	140.0
371.6914367675781	128.0
371.89471435546875	116.0
372.121337890625	156.0
372.1558837890625	208.0
372.2328186035156	15884.0
372.6225280761719	180.0
372.9800109863281	108.0
373.0740966796875	152.0
373.1382141113281	136.0
373.2339172363281	4920.0
373.8796691894531	100.0
374.2405090332031	1212.0
374.3802795410156	144.0
374.779052734375	172.0
375.23699951171875	108.0
375.88568115234375	144.0
376.2176208496094	268.0
376.8355407714844	144.0
377.5917053222656	168.0
377.62799072265625	168.0
378.21881103515625	144.0
379.23089599609375	148.0
379.3006591796875	168.0
379.5138854980469	172.0
379.8978576660156	140.0
380.89935302734375	224.0
381.1946105957031	160.0
381.3094177246094	96.0
381.61053466796875	148.0
382.21063232421875	412.0
382.3223571777344	160.0
383.2200927734375	264.0
384.0326843261719	148.0
384.2304992675781	436.0
384.3994140625	176.0
384.7420654296875	152.0
384.9029541015625	148.0
385.21539306640625	96.0
385.5084228515625	148.0
385.8523864746094	140.0
386.2278137207031	344.0
387.24298095703125	164.0
387.8527526855469	200.0
388.22967529296875	148.0
388.27099609375	160.0
388.3084411621094	112.0
389.1041564941406	144.0
390.0901794433594	156.0
390.18585205078125	180.0
390.2452697753906	728.0
390.9948425292969	156.0
391.0341796875	168.0
391.24456787109375	124.0
391.4361267089844	164.0
391.5971984863281	144.0
392.1606140136719	148.0
392.2694091796875	128.0
392.3143615722656	224.0
392.92205810546875	124.0
393.1748962402344	160.0
393.24920654296875	140.0
394.2498779296875	316.0
394.4538879394531	192.0
394.65948486328125	208.0
395.25628662109375	140.0
396.1673583984375	200.0
396.2257995605469	144.0
396.435546875	192.0
397.2388000488281	804.0
398.03143310546875	172.0
398.2392272949219	396.0
399.10028076171875	140.0
399.6292724609375	152.0
400.16815185546875	132.0
400.2279357910156	256.0
400.3298645019531	196.0
401.23382568359375	228.0
401.8445129394531	140.0
402.240478515625	568.0
402.2778015136719	528.0
403.23016357421875	152.0
403.314697265625	132.0
408.78009033203125	176.0
410.8110656738281	148.0
410.98858642578125	140.0
411.5577087402344	200.0
411.7596130371094	160.0
412.0948791503906	184.0
412.2636413574219	4740.0
412.4343566894531	140.0
413.13104248046875	152.0
413.2661437988281	1040.0
413.34832763671875	176.0
414.26971435546875	332.0
414.8509216308594	144.0
414.9532470703125	144.0
415.1326904296875	108.0
415.25054931640625	6704.0
415.45208740234375	148.0
415.7026672363281	184.0
416.25335693359375	1864.0
416.88262939453125	112.0
416.93402099609375	112.0
417.0713195800781	288.0
417.2575378417969	588.0
417.8981628417969	128.0
418.8349914550781	124.0
418.87139892578125	156.0
420.3914794921875	108.0
421.22625732421875	164.0
422.51116943359375	176.0
422.5684509277344	156.0
424.04144287109375	120.0
424.628173828125	160.0
424.7508850097656	140.0
424.82086181640625	200.0
426.6737976074219	156.0
426.7328796386719	108.0
426.7642517089844	224.0
426.8218078613281	192.0
426.9533996582031	212.0
427.2313232421875	120.0
427.3629150390625	116.0
427.91070556640625	172.0
428.1474914550781	140.0
428.1925964355469	116.0
428.25543212890625	252.0
428.3312072753906	228.0
428.3627624511719	172.0
428.43475341796875	196.0
428.58831787109375	240.0
428.63037109375	120.0
428.767578125	220.0
428.8573303222656	152.0
428.9296875	152.0
428.9588928222656	228.0
428.9871826171875	156.0
429.025390625	224.0
429.12908935546875	404.0
429.1877746582031	272.0
429.2649230957031	688.0
429.4162292480469	212.0
429.4794921875	268.0
429.5765380859375	392.0
429.6370544433594	336.0
429.66583251953125	208.0
429.7550048828125	144.0
429.81695556640625	260.0
429.8349304199219	152.0
429.88592529296875	324.0
429.8973083496094	316.0
429.9137878417969	456.0
430.0055236816406	356.0
430.07623291015625	460.0
430.1312561035156	376.0
430.14495849609375	352.0
430.2086486816406	584.0
430.2761535644531	221808.0
430.39654541015625	124.0
430.48553466796875	112.0
430.563232421875	212.0
430.6364440917969	248.0
430.6459655761719	384.0
430.67236328125	528.0
430.7342529296875	308.0
430.7662048339844	572.0
430.8310852050781	196.0
430.8706970214844	332.0
430.8993225097656	324.0
430.9579162597656	5520.0
431.0251159667969	564.0
431.1246337890625	612.0
431.27862548828125	124392.0
431.367431640625	200.0
431.560546875	128.0
431.595458984375	132.0
431.6584167480469	348.0
431.7294616699219	136.0
431.7805480957031	164.0
431.8358154296875	156.0
431.9085388183594	220.0
431.959716796875	1120.0
432.03155517578125	268.0
432.1282043457031	316.0
432.2803039550781	17656.0
432.3958740234375	260.0
432.464111328125	176.0
432.52294921875	124.0
432.5808410644531	308.0
432.631103515625	104.0
432.6556701660156	156.0
432.6950378417969	108.0
432.7259826660156	136.0
432.7818603515625	108.0
432.8954162597656	136.0
432.98486328125	332.0
433.0151672363281	160.0
433.077880859375	128.0
433.1291809082031	340.0
433.211181640625	104.0
433.2828674316406	2220.0
433.3699645996094	200.0
433.5186462402344	208.0
433.5856018066406	312.0
433.6435546875	104.0
433.6827392578125	204.0
433.77874755859375	232.0
433.83160400390625	264.0
433.9009704589844	272.0
433.962158203125	216.0
434.0371398925781	184.0
434.09832763671875	356.0
434.1328125	320.0
434.18524169921875	264.0
434.21942138671875	500.0
434.3149719238281	112.0
434.3799133300781	220.0
434.540771484375	112.0
434.9131164550781	200.0
435.05859375	208.0
435.1079406738281	120.0
435.1514587402344	104.0
435.203857421875	116.0
435.5847473144531	144.0
435.6612243652344	156.0
435.8222351074219	180.0
435.858154296875	164.0
436.149658203125	104.0
437.6593933105469	128.0
438.3626708984375	160.0
439.99652099609375	112.0
442.2870178222656	112.0
444.8343200683594	100.0
445.3745422363281	184.0
445.49517822265625	100.0
446.8007507324219	128.0
449.0538635253906	96.0
459.7870788574219	148.0
471.296875	196.0
472.3135986328125	96.0
487.8180847167969	160.0
492.3210144042969	176.0
550.8621215820312	148.0
580.9406127929688	108.0
634.1432495117188	140.0
658.1633911132812	152.0
820.4794311523438	156.0
1200.6787109375	196.0
1231.3616943359375	224.0
1372.2091064453125	184.0
1380.7821044921875	168.0
1406.3853759765625	172.0
1433.6251220703125	240.0
1445.3067626953125	140.0
1452.822509765625	168.0
1458.7001953125	140.0
1469.0184326171875	140.0
1473.301025390625	148.0
1504.52685546875	192.0
1509.3248291015625	164.0
1511.3009033203125	228.0
1516.3228759765625	176.0
1555.4705810546875	140.0
1574.232421875	168.0
1585.1409912109375	192.0
1609.6572265625	180.0
1609.86474609375	172.0
1613.476318359375	200.0
1618.556884765625	200.0
1622.5791015625	172.0
1636.8326416015625	188.0
1638.0728759765625	140.0
1664.57666015625	168.0
1692.7994384765625	156.0
1693.323486328125	148.0
1698.56103515625	208.0
1706.921630859375	156.0
1707.867431640625	180.0
1716.3992919921875	168.0
1723.7789306640625	148.0
1733.86669921875	160.0
1738.1124267578125	164.0
1741.765380859375	144.0
1747.401611328125	172.0
1751.947265625	200.0
1757.5489501953125	184.0
1780.33544921875	236.0
1792.66796875	160.0
1807.1407470703125	156.0
1816.95166015625	144.0
1825.30078125	156.0
1837.7281494140625	160.0
1837.9073486328125	192.0
1855.7064208984375	196.0
1869.00244140625	192.0
1875.781494140625	160.0
1883.857177734375	172.0
1891.12060546875	224.0
1891.7784423828125	144.0
1900.61865234375	164.0
1901.1739501953125	208.0
1903.6142578125	180.0
1904.3775634765625	212.0
1904.9769287109375	196.0
1914.2657470703125	156.0
1918.404296875	148.0
1929.849853515625	208.0
1941.171630859375	152.0
1950.372314453125	188.0
1951.7701416015625	220.0
1952.2010498046875	192.0
1954.99853515625	232.0
1967.5411376953125	180.0
1968.5477294921875	256.0
1972.647216796875	168.0
1974.9462890625	148.0
1981.6121826171875	176.0
1983.4642333984375	156.0
1983.7479248046875	228.0
1984.72314453125	192.0
1986.2574462890625	228.0
1990.1356201171875	236.0
2002.1605224609375	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079245
PEPMASS=352.166931
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_E27F27G26H26_BE5_01_15741.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="Adenosine, N-(2-hydroxycyclopentyl)-, (1S-trans)- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OC[C@H]1O[C@H]([C@@H](O)C1O)n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc23
INCHI=InChI=1S/C15H21N5O5/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19)/t7-,8-,9+,11?,12-,15+/m0/s1
INCHIAUX=GYWXTRVEUURNEW-QPIWWKSXSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079245
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079245
SCANS=985
45.224456787109375	148.0
45.40399169921875	184.0
47.49555969238281	140.0
47.82670593261719	184.0
49.29825973510742	184.0
50.076900482177734	156.0
50.71837615966797	160.0
51.137386322021484	208.0
52.25501251220703	180.0
53.47782897949219	240.0
57.38632583618164	160.0
57.50550079345703	172.0
58.91924285888672	140.0
59.69789123535156	140.0
60.090675354003906	176.0
60.23115921020508	200.0
60.36098098754883	144.0
61.84048843383789	204.0
62.37063980102539	188.0
62.50117492675781	140.0
65.1356430053711	192.0
66.79740142822266	160.0
68.41586303710938	200.0
70.15535736083984	172.0
70.45240783691406	208.0
73.10984802246094	168.0
74.43640899658203	168.0
77.10782623291016	144.0
78.07206726074219	204.0
81.10643768310547	172.0
83.91035461425781	168.0
84.78225708007812	176.0
86.70816040039062	144.0
88.38417053222656	208.0
88.87883758544922	156.0
89.45387268066406	124.0
89.8968505859375	144.0
91.96363067626953	196.0
93.26225280761719	208.0
97.25788116455078	156.0
97.41889953613281	172.0
100.70516967773438	180.0
101.82074737548828	172.0
102.49666595458984	192.0
103.93433380126953	160.0
104.57244110107422	244.0
104.80255126953125	172.0
105.37792205810547	144.0
105.64778900146484	148.0
107.10969543457031	176.0
107.71375274658203	148.0
107.88113403320312	192.0
108.1666030883789	192.0
109.05228424072266	208.0
109.16455078125	148.0
109.62876892089844	192.0
109.90819549560547	152.0
110.18379211425781	144.0
111.47919464111328	152.0
112.24492645263672	144.0
113.40555572509766	176.0
113.55397033691406	180.0
114.36133575439453	184.0
116.51255798339844	148.0
118.75537872314453	160.0
119.03302764892578	196.0
119.13089752197266	156.0
119.40259552001953	152.0
121.05242919921875	168.0
124.18413543701172	152.0
125.38025665283203	168.0
126.445556640625	200.0
126.92719268798828	168.0
130.16529846191406	228.0
131.37156677246094	228.0
132.11172485351562	204.0
132.466552734375	176.0
132.59486389160156	148.0
132.98016357421875	152.0
133.52919006347656	120.0
133.55917358398438	176.0
133.7156219482422	140.0
134.7879638671875	180.0
136.06204223632812	9888.0
136.11524963378906	156.0
136.812744140625	164.0
137.06304931640625	412.0
137.2134552001953	164.0
137.24842834472656	160.0
138.28330993652344	184.0
141.03758239746094	152.0
141.24330139160156	180.0
141.60305786132812	196.0
144.65322875976562	148.0
146.5191650390625	192.0
147.98516845703125	164.0
148.06106567382812	288.0
148.39947509765625	160.0
150.7557373046875	196.0
151.07359313964844	200.0
153.45089721679688	160.0
154.81515502929688	176.0
159.58346557617188	164.0
160.05789184570312	628.0
160.9465789794922	180.0
161.08042907714844	200.0
163.72586059570312	176.0
164.0366973876953	168.0
164.5877685546875	172.0
165.4493865966797	208.0
166.6264190673828	168.0
166.8192901611328	140.0
167.1484832763672	192.0
167.89553833007812	180.0
167.96775817871094	180.0
173.07302856445312	168.0
173.40997314453125	160.0
173.62232971191406	164.0
173.77447509765625	180.0
174.0719451904297	312.0
174.71238708496094	196.0
174.9176483154297	144.0
175.0966796875	168.0
176.04080200195312	144.0
176.4265594482422	188.0
176.6248779296875	152.0
177.78799438476562	196.0
179.357177734375	200.0
181.1475067138672	140.0
181.78024291992188	176.0
182.3334503173828	172.0
185.08091735839844	256.0
185.1527099609375	180.0
187.08311462402344	140.0
187.59266662597656	240.0
188.17103576660156	164.0
191.0376434326172	184.0
195.545166015625	168.0
195.97122192382812	144.0
199.76470947265625	156.0
200.06019592285156	164.0
200.09194946289062	156.0
200.1277618408203	144.0
201.10421752929688	136.0
201.2735595703125	120.0
201.5352020263672	152.0
201.64149475097656	164.0
201.90834045410156	204.0
202.01866149902344	160.0
202.1095428466797	39108.0
202.30735778808594	120.0
202.36497497558594	108.0
202.4252166748047	96.0
202.7400665283203	144.0
202.8284149169922	104.0
203.11126708984375	4124.0
203.9752960205078	140.0
204.11474609375	148.0
204.656494140625	108.0
207.05105590820312	188.0
210.70416259765625	152.0
211.34022521972656	140.0
211.95407104492188	140.0
212.11346435546875	192.0
212.16275024414062	168.0
215.59446716308594	200.0
218.40318298339844	168.0
218.60057067871094	136.0
218.86521911621094	148.0
219.5011444091797	176.0
219.72100830078125	112.0
219.75535583496094	168.0
219.81190490722656	144.0
219.8712921142578	220.0
219.9206085205078	164.0
220.01927185058594	216.0
220.04806518554688	180.0
220.12001037597656	78500.0
220.23187255859375	132.0
220.3701934814453	116.0
220.47596740722656	280.0
220.60890197753906	240.0
220.6493377685547	192.0
220.7501678466797	192.0
220.87203979492188	140.0
220.9027099609375	140.0
221.02500915527344	136.0
221.12274169921875	7912.0
221.2010040283203	184.0
222.00340270996094	140.0
222.12783813476562	432.0
222.39976501464844	112.0
222.71951293945312	112.0
222.7988739013672	120.0
223.58384704589844	152.0
224.3153076171875	172.0
230.89630126953125	128.0
233.5338897705078	144.0
240.59262084960938	96.0
245.2814483642578	228.0
248.89804077148438	168.0
249.2215576171875	180.0
249.77801513671875	200.0
257.0140686035156	260.0
262.12530517578125	156.0
262.486328125	144.0
265.9382019042969	188.0
273.1825866699219	164.0
273.952880859375	152.0
274.13739013671875	188.0
280.0711364746094	168.0
285.6006774902344	140.0
293.982666015625	208.0
296.6573486328125	216.0
297.2987365722656	160.0
302.0706787109375	236.0
306.0478820800781	148.0
308.322265625	176.0
309.18255615234375	188.0
312.5232238769531	144.0
314.68023681640625	192.0
318.1426696777344	156.0
318.5321044921875	180.0
327.1623229980469	228.0
327.18939208984375	180.0
329.9148864746094	152.0
331.3697509765625	168.0
334.1435241699219	156.0
344.5003967285156	244.0
346.25732421875	212.0
346.4091796875	172.0
347.9184875488281	140.0
348.5201721191406	204.0
349.1822509765625	112.0
349.98193359375	216.0
350.1920471191406	132.0
350.52508544921875	112.0
350.9093933105469	104.0
351.0177917480469	196.0
351.1259460449219	196.0
351.2139892578125	156.0
351.2870788574219	180.0
351.4139099121094	184.0
351.4435729980469	392.0
351.5176696777344	156.0
351.75152587890625	96.0
351.77703857421875	160.0
351.8243408203125	140.0
351.9792785644531	180.0
352.0372009277344	132.0
352.1629333496094	110080.0
352.29754638671875	264.0
352.7208251953125	144.0
352.7781982421875	392.0
352.8428039550781	108.0
352.90728759765625	116.0
353.0599060058594	156.0
353.16546630859375	11320.0
353.4593200683594	124.0
353.5003356933594	104.0
353.8387756347656	144.0
354.08251953125	208.0
354.1182861328125	124.0
354.1661071777344	2196.0
354.2312316894531	112.0
354.4333190917969	184.0
354.5165710449219	104.0
354.61309814453125	116.0
355.022216796875	152.0
355.0528259277344	280.0
355.10638427734375	144.0
355.1705322265625	340.0
355.2778625488281	156.0
355.4201965332031	204.0
355.6058044433594	104.0
355.8051452636719	128.0
356.1991882324219	160.0
356.6374816894531	108.0
369.0644226074219	152.0
372.2870178222656	152.0
380.8727722167969	144.0
381.7783203125	148.0
452.04913330078125	148.0
510.1357421875	156.0
598.8878173828125	168.0
627.6703491210938	156.0
955.0517578125	140.0
988.9114990234375	144.0
1192.2608642578125	144.0
1242.072509765625	180.0
1522.9444580078125	148.0
1646.2537841796875	140.0
1670.18701171875	144.0
1855.6236572265625	144.0
1962.815185546875	144.0
1985.8525390625	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079246
PEPMASS=321.172211
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_E27F27G26H26_BE5_01_15741.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ARTEMETHER [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
INCHI=InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1
INCHIAUX=SXYIRMFQILZOAM-HVNFFKDJSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079246
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079246
SCANS=2492
48.99129867553711	148.0
53.657005310058594	148.0
53.91682815551758	152.0
56.88084411621094	172.0
73.93926239013672	232.0
75.94998168945312	200.0
86.6951904296875	212.0
88.25697326660156	156.0
91.05933380126953	188.0
91.30062103271484	168.0
93.07238006591797	236.0
93.37568664550781	140.0
95.05059051513672	164.0
95.28746795654297	220.0
96.9832763671875	140.0
99.07998657226562	196.0
101.93726348876953	256.0
105.06902313232422	596.0
106.07782745361328	148.0
107.04964447021484	208.0
107.06405639648438	140.0
107.08509826660156	788.0
108.09622955322266	160.0
111.07978057861328	140.0
112.93550872802734	204.0
113.05821990966797	140.0
113.57093811035156	148.0
116.86945343017578	168.0
117.10840606689453	148.0
119.08182525634766	284.0
121.0664291381836	296.0
121.10002899169922	336.0
121.91015625	140.0
122.23120880126953	144.0
123.07763671875	156.0
125.37580108642578	176.0
128.0575714111328	148.0
129.07769775390625	144.0
130.07823181152344	224.0
131.07972717285156	144.0
133.10386657714844	140.0
133.95278930664062	216.0
134.1048583984375	184.0
135.1154327392578	472.0
136.69869995117188	216.0
136.96876525878906	184.0
139.0755157470703	148.0
139.1130828857422	188.0
140.8485565185547	204.0
143.08717346191406	184.0
144.5838165283203	192.0
145.10096740722656	1652.0
146.1033477783203	620.0
147.08103942871094	200.0
147.1075897216797	144.0
151.11260986328125	328.0
151.1592254638672	140.0
153.78392028808594	156.0
157.10653686523438	160.0
159.12123107910156	176.0
160.12197875976562	156.0
161.09429931640625	332.0
161.13232421875	160.0
163.11151123046875	11088.0
164.11529541015625	2096.0
165.09234619140625	132.0
165.12017822265625	260.0
167.09703063964844	168.0
175.10458374023438	172.0
175.146728515625	288.0
177.1225128173828	144.0
178.300537109375	140.0
179.11204528808594	164.0
179.14312744140625	692.0
180.1443634033203	144.0
181.12619018554688	372.0
182.1277313232422	152.0
185.1327362060547	160.0
186.17510986328125	212.0
187.57359313964844	176.0
195.0723114013672	164.0
195.13682556152344	636.0
196.15028381347656	172.0
200.92254638671875	152.0
203.14593505859375	1008.0
203.90423583984375	152.0
204.06625366210938	148.0
204.14540100097656	108.0
211.16928100585938	172.0
212.13296508789062	160.0
221.1544647216797	5960.0
222.15548706054688	708.0
224.15859985351562	152.0
233.1151885986328	324.0
238.63162231445312	160.0
239.16311645507812	148.0
243.1353759765625	404.0
261.1448669433594	868.0
262.2445373535156	152.0
273.99932861328125	120.0
274.994873046875	148.0
275.1614074707031	5184.0
275.99334716796875	172.0
276.1640930175781	1032.0
312.8329162597656	160.0
319.226318359375	172.0
321.16796875	296.0
321.2704772949219	160.0
321.7989501953125	172.0
322.16680908203125	140.0
322.27398681640625	232.0
323.0676574707031	140.0
382.12841796875	172.0
1508.677734375	216.0
1525.55419921875	168.0
1617.438720703125	284.0
1632.3853759765625	140.0
1637.0042724609375	176.0
1731.2349853515625	220.0
1753.9998779296875	144.0
1780.413818359375	140.0
1792.5360107421875	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079247
PEPMASS=370.13327
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_E27F27G26H26_BE5_01_15741.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=CCPA [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=OC[C@H]1O[C@H]([C@@H](O)C1O)n2cnc3c(NC4CCCC4)nc(Cl)nc23
INCHI=InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10?,11+,14-/m1/s1
INCHIAUX=XSMYYYQVWPZWIZ-PODXTCKDSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079247
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079247
SCANS=1153
45.367740631103516	188.0
47.02482986450195	164.0
47.53941345214844	160.0
47.67536926269531	192.0
48.16724395751953	164.0
48.4023551940918	156.0
48.575599670410156	180.0
49.20462417602539	148.0
50.96668243408203	168.0
51.419532775878906	144.0
51.65958023071289	188.0
51.67388916015625	144.0
53.19868469238281	180.0
53.43266296386719	140.0
53.66715621948242	148.0
53.690486907958984	144.0
55.173553466796875	156.0
56.504638671875	176.0
56.81625747680664	184.0
57.0881233215332	156.0
58.35679626464844	140.0
58.51807403564453	184.0
59.63479995727539	152.0
59.98112487792969	144.0
60.704689025878906	160.0
63.47572326660156	172.0
63.58042526245117	184.0
63.6185188293457	176.0
66.50809478759766	156.0
67.0105972290039	196.0
67.61968994140625	180.0
68.3565444946289	224.0
68.4388427734375	188.0
70.18196105957031	192.0
71.42965698242188	140.0
71.89299011230469	144.0
72.5848617553711	184.0
75.26803588867188	152.0
77.35612487792969	216.0
78.86712646484375	184.0
80.68389129638672	152.0
81.14759063720703	196.0
81.45806121826172	148.0
82.32980346679688	232.0
82.69862365722656	160.0
83.41873931884766	144.0
84.12736511230469	184.0
84.7052230834961	292.0
86.75626373291016	192.0
86.85269165039062	168.0
88.27745056152344	148.0
88.70433044433594	180.0
89.50467681884766	200.0
91.26249694824219	164.0
94.68411254882812	144.0
95.2598648071289	124.0
96.17927551269531	156.0
100.5992431640625	164.0
102.21868133544922	196.0
102.66387176513672	160.0
102.98274993896484	176.0
107.03291320800781	168.0
107.04055786132812	156.0
108.37358856201172	188.0
109.18523406982422	168.0
110.4554443359375	140.0
110.70240783691406	156.0
110.98320007324219	232.0
114.05706024169922	212.0
114.29950714111328	204.0
114.61890411376953	152.0
115.04275512695312	236.0
116.43511199951172	140.0
117.77909088134766	144.0
118.06654357910156	184.0
119.69625854492188	152.0
122.2090835571289	152.0
123.24317169189453	160.0
124.33487701416016	148.0
125.5740966796875	140.0
127.14241790771484	184.0
127.66585540771484	156.0
130.3196258544922	160.0
131.0363006591797	164.0
131.3668670654297	144.0
132.07041931152344	176.0
133.04751586914062	472.0
133.06495666503906	156.0
134.0460205078125	5392.0
134.84329223632812	168.0
135.0480194091797	332.0
136.0524139404297	176.0
137.17601013183594	144.0
137.43722534179688	148.0
137.71969604492188	148.0
139.06834411621094	148.0
139.0965118408203	188.0
141.0563507080078	156.0
145.02674865722656	144.0
145.11305236816406	180.0
151.298583984375	144.0
151.4063262939453	140.0
152.05621337890625	368.0
152.58412170410156	236.0
152.76364135742188	156.0
154.48304748535156	156.0
154.6315155029297	220.0
154.99554443359375	156.0
157.73817443847656	148.0
158.21347045898438	144.0
160.14952087402344	140.0
160.61834716796875	172.0
161.35067749023438	140.0
161.3860626220703	192.0
162.46243286132812	144.0
163.6976776123047	216.0
163.88107299804688	168.0
164.3885040283203	184.0
167.9108428955078	212.0
168.58078002929688	168.0
169.43333435058594	144.0
169.52919006347656	160.0
169.98818969726562	176.0
170.02272033691406	38640.0
170.32948303222656	96.0
170.79690551757812	156.0
170.84820556640625	152.0
171.02462768554688	2100.0
171.78602600097656	176.0
172.02049255371094	7444.0
172.07716369628906	156.0
172.12269592285156	204.0
172.1723175048828	148.0
173.01942443847656	600.0
173.08628845214844	148.0
174.15756225585938	144.0
175.3889617919922	200.0
176.7887420654297	160.0
177.321044921875	192.0
177.60739135742188	164.0
177.9337921142578	184.0
183.99252319335938	180.0
185.6593017578125	164.0
189.17141723632812	156.0
189.73574829101562	200.0
190.89718627929688	172.0
193.01217651367188	200.0
194.12257385253906	152.0
194.85812377929688	144.0
195.5032196044922	188.0
195.93479919433594	224.0
197.23240661621094	152.0
202.11181640625	160.0
204.1940155029297	152.0
204.6265411376953	156.0
206.12112426757812	164.0
207.1195831298828	144.0
208.2065887451172	168.0
209.55567932128906	196.0
211.1461944580078	144.0
211.20982360839844	228.0
212.13934326171875	140.0
213.21327209472656	188.0
215.91583251953125	180.0
216.0767059326172	232.0
216.2669219970703	168.0
218.12657165527344	176.0
219.0593719482422	140.0
219.2509002685547	140.0
219.41595458984375	164.0
220.08274841308594	160.0
220.23927307128906	180.0
221.41639709472656	140.0
221.448974609375	224.0
221.86085510253906	180.0
222.01504516601562	244.0
223.42889404296875	192.0
224.07791137695312	148.0
227.36415100097656	164.0
228.94244384765625	208.0
229.21656799316406	156.0
230.42950439453125	212.0
233.7100830078125	224.0
236.20562744140625	192.0
236.58621215820312	172.0
237.79183959960938	156.0
237.83006286621094	136.0
237.93072509765625	204.0
237.99905395507812	204.0
238.04652404785156	288.0
238.08604431152344	111336.0
238.24130249023438	136.0
238.4674072265625	204.0
238.56253051757812	160.0
238.8131561279297	292.0
238.90879821777344	188.0
239.088134765625	11216.0
239.1703338623047	104.0
239.3920135498047	100.0
239.4991912841797	160.0
239.520751953125	160.0
239.77957153320312	140.0
239.8643341064453	128.0
240.08311462402344	26400.0
240.25599670410156	148.0
240.4174041748047	112.0
240.6076202392578	168.0
240.69715881347656	116.0
240.7553253173828	124.0
240.84808349609375	276.0
241.08433532714844	2524.0
242.0918426513672	196.0
242.88548278808594	156.0
249.46189880371094	188.0
250.01844787597656	96.0
250.0577850341797	164.0
272.9915466308594	156.0
280.0943908691406	172.0
282.9393310546875	152.0
292.0812683105469	156.0
292.94927978515625	144.0
304.0869445800781	180.0
313.27813720703125	108.0
314.60577392578125	160.0
323.6148986816406	188.0
328.9897155761719	164.0
338.025390625	160.0
351.78228759765625	152.0
352.1108703613281	164.0
367.902587890625	168.0
368.2218017578125	132.0
368.5289306640625	248.0
368.9034729003906	156.0
369.5027160644531	132.0
369.56195068359375	136.0
369.85504150390625	156.0
369.98992919921875	196.0
370.1278381347656	29200.0
370.8494873046875	96.0
371.1311340332031	5012.0
371.212158203125	176.0
372.1263122558594	7976.0
373.0080871582031	192.0
373.12615966796875	880.0
375.7676696777344	100.0
428.41070556640625	160.0
1068.82373046875	144.0
1151.895751953125	192.0
1418.0540771484375	140.0
1532.8687744140625	160.0
1556.3978271484375	160.0
1570.673828125	140.0
1575.568115234375	156.0
1575.97900390625	292.0
1588.88427734375	140.0
1613.948974609375	156.0
1616.5086669921875	160.0
1657.9256591796875	156.0
1659.3521728515625	180.0
1679.52783203125	152.0
1718.256103515625	156.0
1750.0992431640625	148.0
1779.370849609375	140.0
1795.2991943359375	180.0
1840.5970458984375	140.0
1851.945556640625	168.0
1865.2882080078125	168.0
1971.9942626953125	164.0
1977.2919921875	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079248
PEPMASS=409.157288
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_E27F27G26H26_BE5_01_15741.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Amlodipine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCO/C(=C\1/C(C(=C(C)N=C1COCCN)C(=O)OC)c2ccccc2Cl)/O
INCHI=InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,25H,4,9-11,22H2,1-3H3/b20-18+
INCHIAUX=VNTNQZVUQJROCO-CZIZESTLSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079248
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079248
SCANS=1091
46.34627151489258	148.0
46.89938735961914	140.0
47.015316009521484	152.0
47.10406494140625	176.0
47.11909103393555	176.0
47.369441986083984	152.0
47.46400833129883	144.0
48.37470626831055	168.0
49.398921966552734	204.0
50.306732177734375	264.0
50.62202835083008	192.0
51.784156799316406	152.0
56.59897994995117	152.0
56.84992218017578	188.0
57.27027893066406	216.0
61.41080856323242	224.0
61.46228790283203	228.0
62.09742736816406	160.0
62.504310607910156	152.0
63.62342071533203	148.0
63.923736572265625	156.0
64.67383575439453	176.0
65.30923461914062	140.0
65.82010650634766	192.0
66.72095489501953	164.0
68.53608703613281	180.0
68.57728576660156	156.0
69.34915161132812	152.0
70.71807098388672	168.0
71.48860168457031	148.0
71.50374603271484	176.0
72.00785064697266	216.0
72.40190887451172	156.0
73.34317016601562	160.0
74.59961700439453	212.0
75.44606018066406	152.0
75.915283203125	204.0
76.96631622314453	208.0
77.72599029541016	176.0
79.59709930419922	148.0
80.12892150878906	176.0
81.73500061035156	212.0
83.34793090820312	188.0
83.85383605957031	184.0
83.98146057128906	160.0
85.382568359375	140.0
86.10871124267578	172.0
86.26392364501953	200.0
87.16094207763672	176.0
90.78216552734375	144.0
92.05525970458984	180.0
93.75768280029297	104.0
94.20643615722656	236.0
94.22575378417969	168.0
96.30626678466797	172.0
97.41102600097656	140.0
98.73357391357422	212.0
99.04328918457031	140.0
99.21076202392578	216.0
101.028076171875	256.0
103.59776306152344	228.0
105.73371124267578	148.0
106.02861785888672	192.0
106.88288879394531	192.0
107.21649169921875	168.0
107.77571105957031	188.0
107.82737731933594	196.0
109.38715362548828	260.0
110.060546875	172.0
111.44295501708984	164.0
112.54664611816406	180.0
112.69026947021484	148.0
113.43521118164062	176.0
115.0541000366211	140.0
116.03823852539062	148.0
116.06521606445312	288.0
118.04285430908203	140.0
118.4432373046875	168.0
119.6375732421875	264.0
119.69200897216797	152.0
122.06181335449219	144.0
124.03901672363281	184.0
124.99498748779297	184.0
125.02460479736328	168.0
125.08177947998047	140.0
126.35155487060547	172.0
127.40298461914062	148.0
127.49510955810547	160.0
128.0508575439453	156.0
129.07083129882812	180.0
129.09796142578125	152.0
129.59141540527344	196.0
129.86436462402344	188.0
130.074462890625	172.0
130.8656005859375	152.0
131.5814971923828	168.0
131.7596435546875	240.0
133.09033203125	196.0
133.29017639160156	148.0
133.9642791748047	152.0
135.6767120361328	172.0
136.17791748046875	180.0
137.01466369628906	776.0
139.0126953125	720.0
139.8181915283203	148.0
140.02554321289062	280.0
140.05018615722656	172.0
140.79420471191406	148.0
141.04937744140625	156.0
141.26219177246094	208.0
142.0106964111328	232.0
142.06590270996094	1552.0
142.11270141601562	160.0
142.21780395507812	168.0
142.3334503173828	168.0
143.07327270507812	1480.0
143.1562042236328	272.0
143.900146484375	172.0
144.04727172851562	152.0
144.07608032226562	256.0
144.8447723388672	164.0
146.581787109375	176.0
147.8665313720703	196.0
148.03599548339844	140.0
148.3630828857422	164.0
148.4600830078125	152.0
148.77549743652344	140.0
149.0159912109375	2220.0
149.0961151123047	140.0
150.02061462402344	708.0
151.01234436035156	700.0
151.03262329101562	532.0
151.95062255859375	148.0
152.01303100585938	164.0
153.0290985107422	180.0
153.14776611328125	144.0
153.96412658691406	164.0
154.12469482421875	164.0
155.0254364013672	460.0
156.0430908203125	288.0
156.08535766601562	152.0
156.52578735351562	192.0
157.0272216796875	168.0
157.0464630126953	164.0
157.08889770507812	344.0
158.30874633789062	172.0
158.98309326171875	164.0
161.01979064941406	152.0
161.32553100585938	164.0
161.3963165283203	188.0
161.4822998046875	156.0
162.0560760498047	304.0
163.03048706054688	972.0
163.11012268066406	200.0
163.57052612304688	140.0
164.02967834472656	176.0
164.07237243652344	176.0
164.2406768798828	156.0
164.32740783691406	140.0
165.0101776123047	4600.0
165.04421997070312	676.0
166.01690673828125	264.0
166.41334533691406	148.0
167.00804138183594	1556.0
167.0404052734375	220.0
167.0762481689453	164.0
167.37496948242188	152.0
168.01217651367188	296.0
169.0442657470703	212.0
169.0865020751953	164.0
169.41534423828125	184.0
169.68226623535156	184.0
170.0601348876953	9364.0
170.60389709472656	180.0
170.9966583251953	160.0
171.06402587890625	1104.0
172.03929138183594	148.0
172.06918334960938	156.0
172.09852600097656	268.0
172.3605499267578	212.0
175.0624237060547	180.0
176.03369140625	580.0
177.01119995117188	604.0
177.0399169921875	416.0
178.01858520507812	260.0
178.04150390625	4056.0
178.57701110839844	176.0
179.009033203125	232.0
179.04554748535156	604.0
180.0378875732422	1380.0
180.1630401611328	148.0
181.08984375	332.0
181.34576416015625	176.0
181.5522003173828	256.0
182.0540313720703	168.0
182.0808868408203	176.0
182.45169067382812	156.0
182.8040313720703	172.0
183.01974487304688	180.0
183.0732421875	156.0
183.11264038085938	164.0
184.03048706054688	164.0
184.07623291015625	1704.0
185.08230590820312	516.0
186.0637664794922	184.0
186.5908203125	176.0
186.8192596435547	192.0
187.02606201171875	152.0
187.44546508789062	156.0
188.07083129882812	208.0
189.01148986816406	332.0
189.3057403564453	140.0
191.02386474609375	180.0
192.0179443359375	164.0
192.0581512451172	780.0
193.04782104492188	116.0
194.01895141601562	340.0
194.04232788085938	144.0
194.06173706054688	496.0
194.49172973632812	172.0
196.06593322753906	324.0
196.11610412597656	144.0
196.81910705566406	192.0
197.00343322753906	148.0
197.08389282226562	544.0
197.11520385742188	196.0
198.0860137939453	160.0
198.29336547851562	144.0
198.73643493652344	188.0
201.96487426757812	152.0
202.0482177734375	140.0
202.0865020751953	1652.0
202.19688415527344	180.0
202.86534118652344	180.0
202.90219116210938	252.0
202.93905639648438	164.0
203.09146118164062	240.0
204.02073669433594	232.0
204.0557403564453	272.0
205.00308227539062	560.0
205.05966186523438	348.0
205.11386108398438	156.0
205.58445739746094	140.0
205.70433044433594	152.0
205.80995178222656	212.0
205.99559020996094	164.0
206.036865234375	15800.0
206.4958038330078	184.0
206.99972534179688	136.0
207.03921508789062	1408.0
207.42474365234375	128.0
207.91734313964844	108.0
208.0346221923828	4172.0
208.0596923828125	2484.0
209.0404510498047	532.0
209.064208984375	424.0
209.84695434570312	164.0
210.0601043701172	132.0
210.37490844726562	156.0
212.07199096679688	608.0
213.079345703125	964.0
214.98992919921875	140.0
215.04615783691406	208.0
216.05288696289062	176.0
217.0615234375	160.0
217.5275115966797	152.0
217.58328247070312	184.0
218.0551300048828	296.0
218.0885467529297	200.0
219.13026428222656	168.0
219.9412384033203	164.0
220.05291748046875	13448.0
220.1739959716797	196.0
220.27490234375	164.0
221.0555419921875	2244.0
222.0493621826172	3324.0
223.05538940429688	548.0
223.08192443847656	136.0
224.08348083496094	368.0
224.52224731445312	172.0
225.0789031982422	280.0
225.10995483398438	128.0
226.08700561523438	180.0
227.08831787109375	156.0
227.13331604003906	208.0
228.07162475585938	276.0
230.0310821533203	144.0
230.08172607421875	388.0
231.0736846923828	396.0
232.05258178710938	560.0
232.0913543701172	144.0
232.6010284423828	160.0
233.0611114501953	420.0
233.9020233154297	204.0
234.05157470703125	248.0
235.0614776611328	128.0
236.0681915283203	268.0
237.0293731689453	192.0
237.26527404785156	112.0
237.66102600097656	196.0
237.72239685058594	180.0
238.06378173828125	51580.0
238.14825439453125	168.0
238.31179809570312	160.0
238.5163116455078	204.0
238.91896057128906	128.0
239.06680297851562	5344.0
239.1839599609375	108.0
239.76129150390625	168.0
239.91848754882812	220.0
240.0078887939453	160.0
240.0609130859375	17808.0
240.28216552734375	108.0
240.55609130859375	128.0
240.72207641601562	116.0
240.9801483154297	128.0
241.0633544921875	1692.0
241.0968017578125	260.0
242.76170349121094	100.0
243.04031372070312	264.0
243.08258056640625	148.0
243.24021911621094	96.0
244.05105590820312	396.0
245.0294189453125	116.0
247.05044555664062	136.0
248.04872131347656	3068.0
249.0533447265625	640.0
250.04443359375	1620.0
250.0870361328125	304.0
251.04246520996094	128.0
251.09848022460938	292.0
251.1307830810547	208.0
252.0670166015625	228.0
252.10104370117188	588.0
253.10984802246094	276.0
254.11227416992188	140.0
255.99771118164062	212.0
256.08953857421875	140.0
257.0860290527344	180.0
258.0667724609375	372.0
259.0377502441406	140.0
259.074462890625	304.0
260.04608154296875	1288.0
260.0918273925781	104.0
260.638671875	152.0
261.05389404296875	568.0
261.11444091796875	152.0
262.00604248046875	140.0
262.0553283691406	284.0
264.0589904785156	156.0
264.1042785644531	196.0
265.0820007324219	144.0
266.05206298828125	140.0
268.05029296875	320.0
269.12518310546875	140.0
270.0330810546875	516.0
270.0779724121094	116.0
270.10888671875	188.0
270.3935241699219	240.0
271.0370788574219	388.0
272.0415954589844	160.0
273.0826721191406	176.0
274.08221435546875	180.0
275.0575256347656	152.0
275.08233642578125	116.0
275.5594787597656	144.0
276.07379150390625	308.0
277.09515380859375	196.0
278.0433349609375	184.0
278.0865783691406	604.0
278.1458740234375	152.0
280.1243896484375	176.0
284.1287841796875	108.0
285.09295654296875	272.0
286.0616149902344	564.0
287.16680908203125	236.0
287.5278015136719	176.0
287.79449462890625	164.0
288.04345703125	376.0
288.12884521484375	164.0
290.0426330566406	488.0
291.06195068359375	160.0
294.03826904296875	272.0
294.0902099609375	33792.0
294.15606689453125	264.0
294.2684020996094	112.0
294.7406921386719	140.0
294.9804992675781	196.0
295.0941467285156	3580.0
295.8690185546875	96.0
296.0874328613281	8112.0
296.56158447265625	100.0
297.0887145996094	756.0
298.09149169921875	124.0
302.0642395019531	128.0
303.0882263183594	252.0
304.095947265625	204.0
305.0906677246094	144.0
305.16754150390625	156.0
306.055419921875	496.0
306.08740234375	288.0
306.1731872558594	180.0
307.0569152832031	140.0
308.052978515625	236.0
309.0514221191406	184.0
312.3929748535156	148.0
313.74761962890625	172.0
314.08026123046875	176.0
314.1437683105469	156.0
316.0727844238281	144.0
317.0806884765625	168.0
320.0682678222656	1260.0
321.0697326660156	244.0
322.0274353027344	144.0
322.0630798339844	888.0
322.1131591796875	144.0
323.24652099609375	180.0
331.0916442871094	116.0
332.0643005371094	172.0
332.1251220703125	144.0
333.0661315917969	156.0
334.08343505859375	1856.0
335.083984375	368.0
335.1125183105469	120.0
336.0818786621094	540.0
337.082275390625	220.0
340.0779724121094	156.0
341.9708251953125	152.0
344.13470458984375	160.0
346.0851135253906	352.0
347.0915222167969	164.0
348.1075134277344	372.0
351.1278076171875	124.0
353.1913146972656	176.0
360.0982666015625	920.0
360.1412353515625	156.0
361.10040283203125	304.0
362.0968933105469	140.0
363.104736328125	552.0
365.8519287109375	140.0
366.1032409667969	160.0
368.1052551269531	256.0
377.12591552734375	5856.0
378.1327209472656	1504.0
378.174072265625	140.0
379.1210021972656	2028.0
380.1325988769531	504.0
387.0436096191406	176.0
390.141845703125	148.0
392.1275939941406	1876.0
393.1289367675781	340.0
393.6247863769531	164.0
394.1275634765625	372.0
395.13427734375	216.0
409.1543273925781	728.0
409.3768005371094	144.0
410.15533447265625	328.0
411.1135559082031	136.0
411.1552429199219	232.0
412.1601257324219	176.0
412.8796691894531	140.0
483.305908203125	192.0
1133.1207275390625	168.0
1243.2159423828125	224.0
1570.5963134765625	156.0
1594.32470703125	192.0
1595.819091796875	152.0
1680.0106201171875	188.0
1709.8280029296875	176.0
1723.4920654296875	208.0
1784.1778564453125	200.0
1809.7672119140625	204.0
1820.23046875	200.0
1823.09326171875	160.0
1869.5213623046875	192.0
1898.53076171875	172.0
1913.38037109375	164.0
1954.78125	172.0
1967.1114501953125	180.0
1986.99658203125	164.0
2000.2822265625	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079249
PEPMASS=589.198425
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=36.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_E27F27G26H26_BE5_01_15741.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Etoposide aka "(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](O[C@@H]4O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26
INCHI=InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
INCHIAUX=VJJPUSNTGOMMGY-MRVIYFEKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079249
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079249
SCANS=1137
45.30474853515625	196.0
46.926605224609375	152.0
47.99334716796875	220.0
48.588077545166016	156.0
49.309383392333984	192.0
49.40866470336914	176.0
50.6942253112793	264.0
57.775917053222656	160.0
58.259521484375	224.0
59.3569221496582	188.0
59.41366958618164	176.0
61.70588684082031	180.0
62.29985809326172	152.0
62.92192840576172	220.0
64.0526351928711	204.0
64.2790298461914	184.0
65.5119857788086	176.0
68.64151000976562	144.0
68.87421417236328	148.0
69.73248291015625	144.0
69.9337387084961	152.0
70.82368469238281	176.0
71.2447280883789	164.0
72.20890045166016	152.0
72.47806549072266	140.0
73.13188934326172	148.0
75.20069885253906	160.0
75.82852172851562	188.0
76.58954620361328	164.0
77.66275787353516	208.0
78.38532257080078	184.0
78.86357879638672	156.0
79.4834213256836	148.0
82.41288757324219	152.0
83.57876586914062	168.0
84.08172607421875	268.0
84.652099609375	184.0
86.7117691040039	140.0
87.28353881835938	208.0
87.37467956542969	220.0
88.01583862304688	196.0
88.05878448486328	184.0
88.70056915283203	140.0
89.34844970703125	188.0
89.91561889648438	192.0
90.19515228271484	164.0
90.35211181640625	160.0
91.36518859863281	184.0
91.67363739013672	160.0
94.13681030273438	216.0
96.16754913330078	172.0
97.02751922607422	96.0
97.83963012695312	192.0
99.04619598388672	184.0
99.53406524658203	168.0
105.00424194335938	192.0
109.025146484375	140.0
109.25178527832031	180.0
111.04190063476562	188.0
112.502197265625	168.0
112.57820892333984	144.0
112.59510040283203	240.0
112.7472152709961	160.0
114.07405090332031	176.0
115.05318450927734	324.0
115.31672668457031	176.0
115.3594741821289	144.0
116.08958435058594	176.0
116.24832153320312	216.0
117.06950378417969	180.0
117.3323745727539	216.0
118.54278564453125	188.0
120.23468780517578	236.0
120.78309631347656	216.0
123.06866455078125	140.0
123.371337890625	168.0
124.81024169921875	140.0
126.4386978149414	180.0
127.03881072998047	424.0
128.28501892089844	160.0
129.05120849609375	156.0
129.0684356689453	280.0
129.4304656982422	164.0
130.64016723632812	160.0
131.7458038330078	148.0
132.92034912109375	168.0
135.5699462890625	156.0
136.00830078125	164.0
137.8061065673828	160.0
138.1147003173828	180.0
138.56649780273438	172.0
138.87123107910156	164.0
139.38771057128906	152.0
142.818115234375	152.0
143.0478973388672	872.0
144.05763244628906	176.0
144.40660095214844	160.0
144.51185607910156	168.0
145.05299377441406	216.0
145.07467651367188	240.0
145.2041473388672	200.0
145.7346649169922	192.0
148.5739288330078	260.0
151.2912139892578	184.0
153.70724487304688	156.0
153.81582641601562	140.0
155.08226013183594	160.0
155.72238159179688	224.0
156.16976928710938	196.0
157.06394958496094	152.0
158.24598693847656	164.0
158.46389770507812	256.0
160.51995849609375	148.0
161.06004333496094	168.0
161.90225219726562	176.0
163.0602264404297	152.0
163.87596130371094	208.0
168.67767333984375	248.0
168.83279418945312	212.0
169.01904296875	208.0
171.0655517578125	440.0
172.78875732421875	128.0
173.05929565429688	2840.0
173.1022491455078	172.0
174.0624542236328	328.0
174.42291259765625	220.0
175.2281951904297	208.0
176.90252685546875	148.0
178.16482543945312	228.0
179.4796142578125	152.0
181.04721069335938	296.0
184.78369140625	112.0
185.05992126464844	36576.0
185.21246337890625	160.0
185.34054565429688	124.0
185.4993133544922	200.0
185.62945556640625	152.0
185.69183349609375	180.0
185.74734497070312	128.0
186.06298828125	5988.0
186.58343505859375	136.0
187.06668090820312	312.0
187.64488220214844	104.0
188.43026733398438	148.0
189.03179931640625	152.0
189.0735626220703	572.0
190.06484985351562	172.0
190.99066162109375	160.0
191.34014892578125	196.0
191.80569458007812	184.0
192.3227996826172	128.0
193.7483673095703	180.0
195.94313049316406	164.0
197.43089294433594	184.0
199.03956604003906	2112.0
199.12362670898438	160.0
200.04356384277344	496.0
201.0563201904297	436.0
201.08033752441406	184.0
202.42031860351562	236.0
210.5450439453125	152.0
213.05442810058594	176.0
213.53305053710938	188.0
213.5621337890625	140.0
217.04830932617188	1016.0
218.05540466308594	256.0
219.05299377441406	248.0
222.0950927734375	168.0
223.44374084472656	168.0
227.03451538085938	456.0
227.98876953125	140.0
228.04286193847656	152.0
228.53150939941406	324.0
228.68350219726562	316.0
228.9696807861328	212.0
229.05018615722656	63680.0
229.28945922851562	184.0
229.6007537841797	104.0
229.79847717285156	164.0
230.05369567871094	9988.0
230.2542724609375	156.0
230.29293823242188	100.0
230.494140625	200.0
231.05526733398438	964.0
231.23382568359375	152.0
231.56817626953125	120.0
231.6412353515625	164.0
231.68870544433594	108.0
231.7289276123047	184.0
231.7869415283203	124.0
232.0683135986328	176.0
234.1072998046875	104.0
237.08737182617188	152.0
239.07028198242188	524.0
239.31747436523438	148.0
245.0536651611328	148.0
246.97666931152344	152.0
247.06045532226562	6052.0
247.12994384765625	180.0
248.06578063964844	1228.0
249.01394653320312	140.0
249.05116271972656	160.0
256.1561584472656	208.0
259.0663146972656	140.0
262.0605773925781	180.0
267.0675048828125	388.0
270.08245849609375	120.0
276.0789489746094	184.0
277.0865173339844	144.0
283.06195068359375	276.0
284.06695556640625	176.0
290.06085205078125	176.0
291.0616760253906	312.0
293.0855407714844	388.0
294.05401611328125	168.0
298.08233642578125	292.0
299.0901184082031	864.0
300.09381103515625	620.0
305.081787109375	304.0
307.09625244140625	132.0
308.1017761230469	148.0
311.0903015136719	168.0
319.0624084472656	144.0
336.1106262207031	152.0
337.1063232421875	108.0
351.0882568359375	144.0
356.1182861328125	144.0
365.10162353515625	120.0
366.09906005859375	140.0
368.0820007324219	308.0
370.104736328125	180.0
383.11346435546875	824.0
384.1188659667969	280.0
391.19573974609375	140.0
411.09771728515625	176.0
425.1102294921875	196.0
431.0016174316406	148.0
435.1305236816406	580.0
436.1284484863281	440.0
444.14910888671875	176.0
536.1676635742188	144.0
577.5905151367188	196.0
588.1846313476562	256.0
589.1753540039062	284.0
593.177734375	152.0
791.5335083007812	148.0
1053.173828125	156.0
1371.34716796875	172.0
1639.725341796875	204.0
1715.5755615234375	264.0
1815.19677734375	208.0
1826.50927734375	184.0
1853.7701416015625	176.0
1973.337646484375	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079250
PEPMASS=646.040649
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=37.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_E27F27G26H26_BE5_01_15741.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=19774-82-4 [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3
INCHI=InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
INCHIAUX=IYIKLHRQXLHMJQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079250
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079250
SCANS=2261
66.34256744384766	232.0
67.75716400146484	204.0
75.87525939941406	200.0
89.49517059326172	232.0
99.39105987548828	192.0
100.11219024658203	2772.0
101.11682891845703	184.0
104.9062728881836	200.0
107.04736328125	148.0
107.06177520751953	156.0
116.05301666259766	160.0
128.08209228515625	152.0
131.0521240234375	148.0
143.33697509765625	184.0
145.0170135498047	196.0
145.10330200195312	200.0
159.04519653320312	876.0
159.07965087890625	252.0
160.04489135742188	124.0
162.40138244628906	228.0
167.77142333984375	176.0
176.79383850097656	184.0
186.0742645263672	236.0
188.82919311523438	216.0
200.55836486816406	148.0
201.01806640625	148.0
201.08946228027344	1808.0
202.0950469970703	508.0
206.07232666015625	164.0
207.04202270507812	168.0
207.71270751953125	180.0
217.92649841308594	140.0
221.07008361816406	128.0
227.82931518554688	208.0
230.9613037109375	152.0
232.0545196533203	140.0
233.05589294433594	148.0
235.0761260986328	356.0
235.1072235107422	152.0
237.0503692626953	176.0
237.15457153320312	160.0
237.8907470703125	160.0
245.1001739501953	164.0
245.9572296142578	128.0
247.06643676757812	316.0
248.05044555664062	180.0
248.0822296142578	144.0
249.08314514160156	224.0
255.07720947265625	152.0
259.0780029296875	176.0
260.07293701171875	184.0
261.0572814941406	332.0
262.0950012207031	176.0
263.06976318359375	272.0
263.1070556640625	504.0
264.080810546875	168.0
272.07781982421875	316.0
272.93548583984375	260.0
274.1020812988281	256.0
275.06964111328125	484.0
276.0776672363281	1720.0
276.11688232421875	312.0
277.08160400390625	900.0
278.09124755859375	164.0
285.18988037109375	156.0
289.0906982421875	228.0
290.09112548828125	316.0
291.0953674316406	148.0
291.1375427246094	160.0
292.099853515625	140.0
300.2808532714844	152.0
304.5588073730469	160.0
309.53900146484375	164.0
319.1335144042969	680.0
320.13531494140625	436.0
326.5895080566406	168.0
329.8310546875	156.0
330.95977783203125	164.0
333.9463806152344	148.0
337.2241516113281	172.0
346.9571533203125	632.0
347.9608459472656	408.0
348.97039794921875	148.0
356.1442565917969	184.0
356.82440185546875	152.0
359.960693359375	372.0
361.93310546875	164.0
362.9485778808594	196.0
363.50994873046875	168.0
366.0225524902344	180.0
370.85589599609375	140.0
372.82208251953125	440.0
372.8702087402344	164.0
372.96722412109375	148.0
373.86773681640625	156.0
373.9832763671875	128.0
374.94915771484375	544.0
375.198974609375	180.0
375.9580078125	444.0
376.9693298339844	208.0
379.4167785644531	144.0
385.9812316894531	144.0
388.3269958496094	144.0
388.9743957519531	268.0
389.9602966308594	168.0
390.0127258300781	128.0
390.3652038574219	196.0
391.00732421875	140.0
395.8146667480469	156.0
398.83447265625	236.0
400.7239990234375	140.0
400.99163818359375	96.0
401.9959411621094	164.0
402.9895935058594	188.0
403.9952697753906	140.0
405.00640869140625	172.0
414.08087158203125	144.0
417.0086669921875	148.0
417.4126281738281	144.0
418.00848388671875	172.0
426.1875915527344	128.0
429.5273742675781	168.0
430.0289306640625	132.0
434.06427001953125	192.0
435.3174743652344	152.0
435.8574523925781	200.0
444.02703857421875	168.0
444.87042236328125	140.0
444.9341735839844	156.0
445.0295104980469	288.0
445.9528503417969	100.0
447.03497314453125	140.0
448.0412902832031	140.0
452.68316650390625	216.0
455.1334533691406	120.0
460.8531494140625	208.0
463.3701477050781	140.0
471.94061279296875	172.0
472.8709716796875	140.0
474.85986328125	128.0
476.07135009765625	640.0
477.07373046875	192.0
479.1223449707031	140.0
482.4739990234375	140.0
482.7450866699219	228.0
484.820068359375	204.0
485.13128662109375	200.0
485.8441162109375	196.0
487.857421875	156.0
490.0888671875	236.0
491.3320617675781	140.0
495.8289794921875	140.0
496.93756103515625	180.0
502.7220764160156	144.0
502.9407653808594	200.0
503.7713317871094	196.0
505.0973205566406	144.0
505.27691650390625	164.0
508.2304382324219	192.0
516.6058349609375	148.0
516.9146728515625	1376.0
517.9161376953125	440.0
518.1314697265625	244.0
518.9336547851562	176.0
520.02685546875	184.0
523.17236328125	152.0
527.8947143554688	212.0
532.0321044921875	140.0
537.25537109375	164.0
537.8460083007812	140.0
538.843505859375	184.0
543.1951293945312	172.0
543.2276000976562	192.0
546.2097778320312	168.0
546.9365234375	232.0
552.0817260742188	172.0
552.7545166015625	128.0
553.0736083984375	152.0
557.3834838867188	220.0
558.6387939453125	148.0
569.1640625	140.0
572.4117431640625	200.0
572.9439086914062	320.0
573.9468994140625	140.0
576.6815185546875	200.0
577.0687255859375	224.0
577.4608154296875	212.0
578.773193359375	116.0
580.7896118164062	160.0
582.7001953125	176.0
584.3492431640625	152.0
584.4166259765625	140.0
585.0711669921875	176.0
587.9921875	140.0
588.870849609375	152.0
594.244140625	144.0
597.6013793945312	184.0
601.158447265625	140.0
601.7103271484375	124.0
602.4181518554688	196.0
604.0703735351562	148.0
607.07763671875	140.0
607.2051391601562	160.0
607.8526611328125	196.0
609.1832275390625	140.0
610.048095703125	156.0
611.54833984375	148.0
612.4296875	144.0
614.4932861328125	172.0
615.7193603515625	140.0
616.0057983398438	156.0
618.05810546875	144.0
620.3952026367188	140.0
624.2530517578125	140.0
628.8812866210938	140.0
629.4903564453125	160.0
631.1222534179688	136.0
634.16796875	140.0
636.398681640625	136.0
637.0482177734375	188.0
637.8170166015625	180.0
637.9728393554688	160.0
639.0541381835938	160.0
639.3107299804688	200.0
640.0834350585938	152.0
640.1692504882812	252.0
640.2188720703125	176.0
640.5127563476562	164.0
640.6199951171875	128.0
641.0828247070312	108.0
641.1539306640625	144.0
641.4361572265625	176.0
641.64990234375	180.0
641.75732421875	108.0
641.8114624023438	172.0
642.1688842773438	224.0
642.2755737304688	100.0
642.4120483398438	108.0
642.6271362304688	132.0
642.7009887695312	200.0
642.8967895507812	272.0
643.1921997070312	96.0
643.3041381835938	144.0
643.4771118164062	224.0
643.533203125	196.0
643.6874389648438	136.0
643.876220703125	224.0
643.9307250976562	132.0
644.0142822265625	1620.0
644.1011352539062	220.0
644.1913452148438	176.0
644.3319091796875	208.0
644.3653564453125	300.0
644.42138671875	228.0
644.6885375976562	128.0
645.01318359375	980.0
645.1793212890625	120.0
645.234375	216.0
645.3067016601562	180.0
645.356689453125	124.0
645.5355834960938	176.0
645.5810546875	164.0
645.6258544921875	172.0
645.6621704101562	104.0
645.7164916992188	340.0
645.7540893554688	228.0
645.8399047851562	448.0
645.9180908203125	488.0
646.0326538085938	205320.0
646.1904907226562	324.0
646.3579711914062	292.0
646.4141235351562	196.0
646.5133666992188	104.0
646.589111328125	160.0
646.7152099609375	264.0
646.7916870117188	220.0
646.866943359375	2512.0
646.939697265625	408.0
647.0343627929688	84388.0
647.1533203125	240.0
647.2101440429688	160.0
647.2888793945312	160.0
647.3449096679688	292.0
647.4544067382812	204.0
647.49267578125	144.0
647.56689453125	144.0
647.6173706054688	300.0
647.7154541015625	96.0
647.75927734375	276.0
647.80224609375	140.0
647.9091796875	248.0
648.0379028320312	11772.0
648.2291870117188	180.0
648.3325805664062	124.0
648.3950805664062	184.0
648.5588989257812	136.0
648.914306640625	108.0
649.0365600585938	1332.0
649.1476440429688	132.0
649.391845703125	116.0
649.61279296875	148.0
649.7010498046875	140.0
649.827392578125	104.0
649.9300537109375	172.0
650.0065307617188	156.0
650.0416870117188	148.0
650.0835571289062	276.0
650.1293334960938	124.0
650.2689819335938	128.0
650.3075561523438	140.0
650.3226928710938	224.0
650.3429565429688	188.0
650.4467163085938	144.0
650.5140991210938	160.0
650.608154296875	216.0
650.6773071289062	180.0
650.7879638671875	108.0
651.3258056640625	100.0
651.5234375	116.0
651.5882568359375	148.0
651.6613159179688	124.0
651.7066650390625	112.0
651.843017578125	132.0
652.7415161132812	148.0
652.918212890625	120.0
653.35693359375	184.0
654.2474975585938	156.0
655.264892578125	104.0
656.0494995117188	232.0
657.0526123046875	104.0
657.2461547851562	136.0
662.6640625	140.0
664.068603515625	148.0
664.9241333007812	96.0
677.25830078125	160.0
705.5748901367188	140.0
763.8047485351562	140.0
792.877197265625	164.0
849.8638305664062	148.0
893.746826171875	144.0
915.994140625	148.0
947.3093872070312	228.0
970.218505859375	120.0
1177.9454345703125	172.0
1223.2242431640625	148.0
1373.262939453125	176.0
1630.532958984375	224.0
1642.578125	164.0
1692.4547119140625	188.0
1799.1195068359375	204.0
1913.6900634765625	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079251
PEPMASS=168.080994
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_E27F27G26H26_BE5_01_15741.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=CGS 12066B [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCN(CC1)c2nc3cc(ccc3n4cccc24)C(F)(F)F
INCHI=InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3
INCHIAUX=LXFHSCDLMBZYKY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079251
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079251
SCANS=1150
44.96052551269531	136.0
45.11338424682617	176.0
45.583831787109375	148.0
45.74253845214844	176.0
46.331329345703125	172.0
46.34081268310547	200.0
47.01527404785156	148.0
47.1600456237793	256.0
47.610801696777344	164.0
47.71110534667969	144.0
47.840423583984375	148.0
48.48131561279297	168.0
48.57421112060547	208.0
48.753318786621094	140.0
49.0107536315918	180.0
49.05256652832031	172.0
49.200435638427734	180.0
49.226966857910156	140.0
49.363914489746094	140.0
49.86158752441406	208.0
50.42042541503906	144.0
50.76227569580078	188.0
50.803932189941406	144.0
51.18858337402344	236.0
51.31254577636719	144.0
51.33108139038086	212.0
51.5180549621582	204.0
51.716819763183594	224.0
51.78984069824219	148.0
51.95038604736328	200.0
52.80745315551758	200.0
53.09131622314453	160.0
53.25531768798828	176.0
53.82474136352539	232.0
54.58672332763672	172.0
55.03319549560547	144.0
55.86760711669922	208.0
55.95243453979492	188.0
55.985191345214844	152.0
56.35662078857422	140.0
56.410423278808594	164.0
56.69630432128906	140.0
56.89129638671875	228.0
56.99041748046875	172.0
57.69123458862305	148.0
57.722984313964844	208.0
58.053104400634766	176.0
58.858089447021484	200.0
59.01361846923828	188.0
59.48580551147461	168.0
59.57868576049805	116.0
59.96262741088867	156.0
60.41486358642578	232.0
60.568302154541016	144.0
61.23775100708008	144.0
61.673065185546875	152.0
61.8044319152832	152.0
62.329715728759766	404.0
62.480655670166016	220.0
62.644378662109375	228.0
62.768890380859375	148.0
63.88867950439453	160.0
64.09884643554688	140.0
65.10546875	188.0
66.13529968261719	180.0
67.46593475341797	176.0
67.56405639648438	164.0
67.75559997558594	160.0
67.88672637939453	164.0
69.21656036376953	176.0
69.61785888671875	140.0
70.37384033203125	200.0
70.63455200195312	144.0
70.84379577636719	232.0
71.12383270263672	144.0
71.66197967529297	152.0
72.1017837524414	132.0
72.46282958984375	176.0
72.7254867553711	148.0
72.78849029541016	156.0
72.87511444091797	156.0
72.9339828491211	244.0
72.9906997680664	244.0
73.02810668945312	160.0
73.18637084960938	144.0
73.74346923828125	240.0
74.70960998535156	192.0
75.19035339355469	140.0
75.40796661376953	188.0
75.6328125	232.0
75.71418762207031	164.0
76.29720306396484	164.0
77.23300170898438	176.0
77.95069122314453	228.0
78.02450561523438	184.0
78.33247375488281	176.0
78.89187622070312	148.0
79.52848052978516	180.0
79.81914520263672	184.0
80.77151489257812	160.0
81.66836547851562	176.0
82.26300048828125	224.0
82.50868225097656	200.0
82.87065887451172	144.0
83.74990844726562	192.0
85.23175811767578	188.0
85.28321838378906	220.0
85.59044647216797	164.0
85.66595458984375	164.0
85.70648956298828	208.0
86.33780670166016	200.0
86.41549682617188	188.0
86.50988006591797	264.0
87.0048599243164	192.0
87.5161361694336	160.0
87.82176208496094	164.0
87.84973907470703	144.0
87.95423889160156	164.0
88.26810455322266	228.0
89.75717163085938	168.0
89.80997467041016	168.0
89.83072662353516	160.0
90.00247192382812	148.0
90.57170867919922	264.0
90.77449798583984	184.0
90.8067398071289	144.0
91.01168823242188	224.0
91.0914535522461	156.0
91.40048217773438	264.0
91.47747802734375	236.0
91.84333038330078	268.0
92.49299621582031	276.0
92.70367431640625	156.0
92.74774932861328	152.0
93.36790466308594	240.0
94.41316986083984	152.0
94.52149963378906	208.0
94.87593841552734	168.0
95.23686981201172	192.0
95.60626983642578	176.0
96.10901641845703	152.0
96.37639617919922	196.0
96.47032928466797	140.0
96.49182891845703	140.0
96.95574188232422	180.0
97.49346160888672	216.0
99.09130859375	836.0
99.19878387451172	200.0
99.35346984863281	196.0
99.67113494873047	144.0
99.70491790771484	184.0
99.73870849609375	184.0
100.53337860107422	192.0
100.86308288574219	148.0
101.10765075683594	10168.0
101.16297149658203	100.0
101.469482421875	188.0
101.6680679321289	164.0
102.03363800048828	172.0
102.10781860351562	380.0
102.39180755615234	140.0
102.44820404052734	200.0
103.0898208618164	156.0
103.1484375	144.0
103.34662628173828	180.0
103.97683715820312	152.0
104.03976440429688	208.0
104.46855926513672	160.0
105.04913330078125	140.0
105.15115356445312	172.0
105.70701599121094	220.0
105.86668395996094	160.0
106.06951904296875	164.0
106.38337707519531	172.0
106.73881530761719	172.0
106.76554870605469	152.0
107.13870239257812	260.0
108.0795669555664	164.0
108.56636810302734	188.0
108.72195434570312	160.0
108.85481262207031	168.0
109.85175323486328	164.0
110.49310302734375	156.0
111.0167465209961	148.0
111.04820251464844	148.0
111.41974639892578	212.0
112.7303237915039	256.0
113.35033416748047	260.0
113.37152862548828	140.0
113.89132690429688	168.0
113.92530822753906	180.0
114.04180908203125	184.0
114.30589294433594	184.0
114.96222686767578	180.0
114.98356628417969	192.0
115.38086700439453	220.0
115.78742980957031	164.0
115.93310546875	152.0
116.26504516601562	168.0
116.54681396484375	332.0
116.96617889404297	184.0
117.30652618408203	192.0
117.41217803955078	192.0
117.55352783203125	188.0
118.0331802368164	224.0
118.06005096435547	184.0
118.2006607055664	276.0
118.53630065917969	192.0
119.02652740478516	232.0
119.75288391113281	164.0
119.93590545654297	144.0
121.29769134521484	180.0
121.67281341552734	164.0
121.75625610351562	184.0
122.60985565185547	160.0
122.81489562988281	140.0
123.12167358398438	196.0
123.41999816894531	168.0
124.01107025146484	148.0
124.76579284667969	180.0
124.90811157226562	144.0
125.03172302246094	200.0
125.23754119873047	244.0
125.53265380859375	188.0
125.56517028808594	192.0
125.7101821899414	144.0
125.78606414794922	152.0
125.8664321899414	156.0
126.03172302246094	208.0
126.38724517822266	248.0
126.54839324951172	180.0
126.68949127197266	208.0
127.040283203125	224.0
128.1993865966797	144.0
128.3459014892578	156.0
128.78822326660156	168.0
129.08428955078125	240.0
129.54739379882812	208.0
129.75901794433594	148.0
130.10386657714844	168.0
130.12771606445312	140.0
131.0277557373047	372.0
131.2163543701172	160.0
132.037841796875	348.0
132.54115295410156	432.0
132.92495727539062	204.0
133.04481506347656	2432.0
133.0776824951172	320.0
133.2349090576172	192.0
133.47393798828125	188.0
133.58433532714844	252.0
134.04676818847656	800.0
134.07937622070312	168.0
134.5406951904297	204.0
134.58456420898438	184.0
134.7693328857422	160.0
134.89413452148438	144.0
134.94268798828125	180.0
135.4402313232422	212.0
136.20335388183594	144.0
136.5543212890625	144.0
137.0187225341797	332.0
137.1876678466797	208.0
137.4092254638672	144.0
138.0314483642578	160.0
138.53941345214844	216.0
138.57119750976562	244.0
138.76808166503906	140.0
138.82435607910156	152.0
138.9158172607422	272.0
138.94161987304688	148.0
139.00497436523438	240.0
139.0392303466797	336.0
139.54856872558594	1476.0
140.04994201660156	1268.0
140.15716552734375	216.0
140.48016357421875	148.0
140.6429901123047	156.0
141.0107421875	232.0
141.1556396484375	180.0
141.54135131835938	152.0
141.92283630371094	160.0
141.9607696533203	160.0
142.07225036621094	168.0
142.29058837890625	244.0
142.35232543945312	168.0
142.95849609375	148.0
143.03160095214844	168.0
143.0550079345703	184.0
143.5731201171875	140.0
143.9021453857422	176.0
143.9740447998047	144.0
144.23448181152344	144.0
144.2583770751953	224.0
144.5501708984375	216.0
145.0244598388672	588.0
145.0435333251953	176.0
145.55287170410156	160.0
146.00433349609375	132.0
146.05441284179688	160.0
146.10011291503906	168.0
146.13380432128906	168.0
146.17471313476562	184.0
146.3263397216797	144.0
146.55682373046875	2356.0
146.9312744140625	236.0
147.02415466308594	188.0
147.056884765625	556.0
147.32235717773438	152.0
147.55862426757812	500.0
148.0165557861328	308.0
148.0382843017578	216.0
148.0721893310547	156.0
148.55557250976562	172.0
149.05224609375	172.0
149.1227264404297	180.0
149.14674377441406	152.0
149.58486938476562	144.0
149.60678100585938	188.0
150.25503540039062	160.0
150.4795684814453	180.0
151.04034423828125	164.0
151.5037384033203	264.0
151.835205078125	188.0
151.88247680664062	160.0
152.05015563964844	312.0
152.53004455566406	176.0
152.5557403564453	3628.0
152.94573974609375	164.0
153.05630493164062	280.0
153.1131591796875	176.0
153.43101501464844	212.0
153.54197692871094	156.0
153.5839080810547	168.0
153.68753051757812	144.0
153.72947692871094	244.0
153.8173370361328	160.0
154.06434631347656	548.0
154.14927673339844	168.0
155.05911254882812	604.0
155.13941955566406	156.0
155.62059020996094	200.0
155.71743774414062	184.0
156.0529022216797	140.0
157.02627563476562	708.0
158.03965759277344	5780.0
158.07418823242188	408.0
158.4639129638672	156.0
159.04354858398438	1256.0
159.55816650390625	156.0
159.6461639404297	196.0
159.85629272460938	136.0
160.06297302246094	144.0
160.20997619628906	144.0
160.43991088867188	132.0
160.56642150878906	220.0
160.71925354003906	204.0
161.02012634277344	240.0
161.43157958984375	156.0
161.552978515625	216.0
161.6142120361328	160.0
162.02479553222656	252.0
162.3102569580078	276.0
162.350830078125	180.0
162.38380432128906	252.0
162.9764404296875	124.0
163.03428649902344	1108.0
163.0667724609375	172.0
163.81228637695312	152.0
164.0382843017578	400.0
164.7536163330078	236.0
164.78427124023438	172.0
164.95941162109375	136.0
165.0132598876953	188.0
165.04434204101562	1088.0
166.05245971679688	3384.0
166.1847686767578	160.0
166.3644256591797	188.0
166.6099853515625	152.0
166.76589965820312	200.0
166.9289093017578	148.0
167.06106567382812	516.0
167.10804748535156	196.0
167.1378173828125	148.0
167.1963653564453	156.0
167.22036743164062	148.0
167.2898712158203	160.0
167.33251953125	100.0
167.365478515625	192.0
167.4245147705078	156.0
167.5181121826172	136.0
167.54017639160156	184.0
167.56585693359375	192.0
167.6042938232422	188.0
167.64724731445312	424.0
167.6759796142578	148.0
167.69305419921875	208.0
167.72210693359375	176.0
167.76644897460938	248.0
167.7936553955078	160.0
167.83668518066406	164.0
167.86268615722656	244.0
167.88453674316406	252.0
167.93341064453125	108.0
167.95388793945312	188.0
167.99072265625	124.0
168.0241241455078	704.0
168.07952880859375	192004.0
168.12623596191406	168.0
168.1487274169922	216.0
168.17507934570312	288.0
168.21324157714844	220.0
168.2506561279297	204.0
168.2748565673828	304.0
168.31890869140625	880.0
168.34481811523438	300.0
168.36428833007812	404.0
168.3927459716797	364.0
168.43319702148438	136.0
168.47512817382812	1432.0
168.50352478027344	10388.0
168.5347900390625	1072.0
168.5797576904297	88008.0
168.65621948242188	260.0
168.6834716796875	116.0
168.71414184570312	232.0
168.76234436035156	184.0
168.8291778564453	244.0
168.87147521972656	152.0
168.90518188476562	140.0
168.9386444091797	224.0
168.96078491210938	284.0
169.0043487548828	336.0
169.0256805419922	332.0
169.08013916015625	9328.0
169.13946533203125	140.0
169.17030334472656	144.0
169.20480346679688	156.0
169.2467498779297	132.0
169.2741241455078	216.0
169.31216430664062	96.0
169.3828582763672	140.0
169.40318298339844	244.0
169.5165252685547	120.0
169.53662109375	196.0
169.5823974609375	1256.0
169.68975830078125	116.0
169.77590942382812	164.0
169.82626342773438	280.0
169.90493774414062	156.0
169.9847412109375	276.0
170.0233612060547	1100.0
170.10214233398438	144.0
170.12350463867188	224.0
170.1480255126953	148.0
170.24302673339844	164.0
170.26925659179688	160.0
170.3123321533203	340.0
170.34744262695312	308.0
170.42645263671875	272.0
170.45936584472656	160.0
170.5115966796875	196.0
170.55783081054688	172.0
170.59339904785156	128.0
170.65672302246094	116.0
170.6665802001953	144.0
170.7166748046875	192.0
170.7730255126953	116.0
170.83139038085938	312.0
170.88131713867188	96.0
171.02845764160156	264.0
171.2888946533203	136.0
171.87294006347656	204.0
172.03118896484375	196.0
172.10662841796875	176.0
172.72711181640625	164.0
173.04034423828125	116.0
173.1278839111328	132.0
173.1751708984375	160.0
173.20541381835938	164.0
173.408447265625	156.0
174.2967987060547	148.0
174.79522705078125	144.0
174.85093688964844	204.0
175.075439453125	156.0
175.74188232421875	116.0
175.81358337402344	96.0
176.0308074951172	348.0
176.08287048339844	184.0
176.35499572753906	160.0
176.68504333496094	208.0
177.0107421875	180.0
177.08261108398438	6880.0
177.16392517089844	120.0
177.24270629882812	160.0
177.42176818847656	184.0
177.58380126953125	1052.0
177.72412109375	160.0
177.7604217529297	212.0
178.04930114746094	356.0
178.0814208984375	156.0
178.43060302734375	152.0
179.03036499023438	180.0
179.06146240234375	948.0
179.22640991210938	148.0
179.31613159179688	156.0
179.7310333251953	144.0
179.8958282470703	140.0
180.06651306152344	776.0
180.74668884277344	156.0
180.77516174316406	164.0
180.8561248779297	156.0
180.94544982910156	116.0
181.02523803710938	868.0
181.0701141357422	488.0
181.13392639160156	224.0
181.22265625	292.0
181.5123748779297	96.0
181.8847198486328	212.0
182.0338134765625	2208.0
182.0791015625	704.0
182.64601135253906	124.0
182.72434997558594	136.0
183.0421142578125	19096.0
183.07315063476562	452.0
183.25624084472656	180.0
183.4688262939453	148.0
183.75503540039062	144.0
184.04005432128906	2716.0
184.27015686035156	140.0
184.94676208496094	196.0
185.018310546875	432.0
185.04884338378906	148.0
185.2453155517578	172.0
185.61456298828125	128.0
185.7162628173828	208.0
186.0375518798828	532.0
186.0596160888672	388.0
186.4640350341797	144.0
186.68038940429688	148.0
187.02207946777344	248.0
187.04928588867188	176.0
188.02932739257812	1840.0
188.59048461914062	1688.0
189.03575134277344	900.0
189.09481811523438	384.0
189.59046936035156	148.0
189.84542846679688	232.0
190.02490234375	204.0
190.04757690429688	304.0
190.09779357910156	216.0
190.36407470703125	148.0
190.59207153320312	216.0
191.04351806640625	644.0
191.9125213623047	108.0
191.98770141601562	144.0
192.02354431152344	192.0
192.0636444091797	272.0
192.79103088378906	152.0
193.00692749023438	172.0
193.0625	196.0
193.12832641601562	140.0
193.31369018554688	156.0
193.91775512695312	164.0
194.03662109375	188.0
194.0697479248047	900.0
195.0303192138672	244.0
195.0828399658203	848.0
195.73704528808594	224.0
196.03797912597656	536.0
196.08619689941406	196.0
196.86215209960938	152.0
197.03611755371094	600.0
197.0923309326172	296.0
197.3785858154297	224.0
197.61375427246094	164.0
198.02488708496094	112.0
198.0526580810547	720.0
198.1269989013672	168.0
198.68856811523438	148.0
198.95516967773438	164.0
199.05213928222656	632.0
199.57327270507812	264.0
200.03421020507812	180.0
200.0567626953125	268.0
200.65159606933594	144.0
200.8743896484375	196.0
201.02056884765625	152.0
201.0581512451172	336.0
201.26950073242188	220.0
201.84536743164062	140.0
201.87136840820312	152.0
202.04397583007812	456.0
203.04443359375	232.0
204.05517578125	116.0
204.60092163085938	180.0
205.05043029785156	164.0
205.0737762451172	212.0
205.67845153808594	156.0
206.04139709472656	624.0
206.07540893554688	144.0
207.0294647216797	1056.0
207.078125	280.0
207.0995330810547	212.0
207.24563598632812	124.0
207.34878540039062	164.0
207.4863739013672	160.0
207.56539916992188	228.0
207.9051513671875	160.0
208.03756713867188	28248.0
208.08726501464844	848.0
208.1750030517578	168.0
208.6174774169922	148.0
208.7518310546875	104.0
209.0375518798828	4328.0
209.08250427246094	172.0
209.7948760986328	200.0
209.88714599609375	160.0
210.03956604003906	316.0
210.10142517089844	392.0
210.7071533203125	144.0
211.04733276367188	832.0
212.04270935058594	316.0
212.05886840820312	356.0
212.23733520507812	180.0
212.51345825195312	224.0
213.0457305908203	416.0
213.64651489257812	168.0
214.0610809326172	184.0
214.4414520263672	216.0
215.04197692871094	10120.0
215.49383544921875	176.0
215.66146850585938	180.0
215.7579345703125	176.0
216.0425567626953	1468.0
216.1225128173828	116.0
217.05587768554688	2052.0
217.55859375	112.0
218.05422973632812	320.0
218.36473083496094	164.0
218.429443359375	160.0
219.06973266601562	136.0
220.03558349609375	152.0
220.09161376953125	168.0
220.28062438964844	172.0
221.04745483398438	140.0
222.0550537109375	604.0
222.10043334960938	632.0
223.04672241210938	1656.0
223.1060791015625	472.0
224.05398559570312	2128.0
224.11915588378906	572.0
224.27830505371094	132.0
224.46241760253906	140.0
224.57872009277344	148.0
225.06134033203125	1068.0
225.6417999267578	156.0
226.04541015625	388.0
227.05523681640625	608.0
227.2741241455078	148.0
229.05422973632812	984.0
230.05813598632812	264.0
230.65011596679688	212.0
231.07278442382812	700.0
232.07022094726562	300.0
233.04660034179688	240.0
233.2660675048828	140.0
233.70619201660156	128.0
234.04641723632812	288.0
234.22154235839844	156.0
234.86468505859375	156.0
234.92166137695312	276.0
235.0009307861328	212.0
235.0483856201172	52488.0
235.13546752929688	156.0
235.2667694091797	120.0
235.3883819580078	140.0
235.68377685546875	136.0
235.85092163085938	168.0
236.05406188964844	11312.0
236.1169891357422	356.0
236.52908325195312	96.0
237.06356811523438	17232.0
237.20387268066406	140.0
237.2919158935547	136.0
237.59310913085938	116.0
237.66249084472656	96.0
237.75466918945312	144.0
237.85601806640625	152.0
237.90737915039062	144.0
238.02915954589844	232.0
238.06527709960938	2168.0
238.1498565673828	132.0
238.29832458496094	164.0
238.48690795898438	144.0
238.64675903320312	160.0
238.70864868164062	96.0
238.95433044433594	152.0
239.04513549804688	484.0
239.52383422851562	176.0
239.62550354003906	212.0
239.79397583007812	108.0
239.9552764892578	148.0
240.07437133789062	192.0
241.05303955078125	280.0
242.05323791503906	120.0
242.24525451660156	148.0
242.62332153320312	152.0
243.06520080566406	232.0
243.48593139648438	152.0
244.06858825683594	752.0
244.8761444091797	176.0
245.49632263183594	172.0
246.07981872558594	144.0
247.04673767089844	336.0
247.43043518066406	188.0
248.0491943359375	316.0
248.96824645996094	180.0
249.06149291992188	3420.0
250.06649780273438	2716.0
251.04640197753906	5404.0
251.06979370117188	11020.0
251.2047119140625	152.0
251.3927001953125	96.0
251.60548400878906	152.0
251.7760009765625	148.0
251.8980255126953	132.0
252.0474395751953	780.0
252.073974609375	3212.0
252.959228515625	244.0
253.01153564453125	156.0
253.05833435058594	15280.0
253.11997985839844	148.0
253.2880096435547	140.0
253.5634765625	256.0
253.760009765625	144.0
254.06211853027344	1340.0
254.40403747558594	200.0
255.0658721923828	268.0
255.8072967529297	120.0
256.068359375	160.0
256.1402893066406	224.0
257.0784606933594	288.0
258.0859069824219	876.0
259.047119140625	148.0
259.0906066894531	232.0
259.75555419921875	184.0
259.98016357421875	200.0
260.05560302734375	368.0
260.455322265625	140.0
261.0615539550781	584.0
262.0582275390625	1540.0
262.5935363769531	136.0
263.0657958984375	708.0
263.115234375	160.0
263.903564453125	148.0
263.952392578125	168.0
264.01104736328125	100.0
264.0744323730469	16716.0
264.1601257324219	160.0
264.2502746582031	124.0
264.2861633300781	152.0
264.6107482910156	132.0
264.74810791015625	164.0
264.7945556640625	116.0
265.0024719238281	184.0
265.0386047363281	204.0
265.079833984375	6212.0
265.1465759277344	176.0
266.0875549316406	1276.0
266.880126953125	124.0
267.0310974121094	200.0
267.0815124511719	172.0
268.0457458496094	904.0
269.0437316894531	120.0
269.2164001464844	180.0
269.5071105957031	156.0
274.07122802734375	224.0
275.0341796875	144.0
275.0686950683594	536.0
276.0752258300781	7004.0
276.61090087890625	180.0
277.0786437988281	1456.0
277.3230285644531	228.0
277.913330078125	148.0
277.9778747558594	116.0
278.0903625488281	25728.0
278.1811828613281	96.0
278.2409973144531	152.0
278.557373046875	240.0
279.0935974121094	3920.0
279.76116943359375	160.0
280.0475158691406	184.0
280.0947570800781	128.0
281.40142822265625	144.0
282.0595397949219	172.0
285.6945495605469	148.0
289.05096435546875	160.0
290.0771789550781	300.0
290.0900573730469	176.0
291.0950012207031	420.0
292.1043395996094	2928.0
292.1560974121094	160.0
293.10809326171875	684.0
294.1113586425781	164.0
294.3066711425781	196.0
298.0744934082031	192.0
304.10552978515625	1064.0
305.1041259765625	120.0
306.1024169921875	120.0
307.1184997558594	1744.0
308.1240539550781	224.0
313.8913269042969	96.0
322.0926513671875	108.0
323.67791748046875	140.0
437.74224853515625	140.0
670.6557006835938	144.0
671.4703369140625	140.0
1132.6641845703125	152.0
1139.0029296875	244.0
1208.30517578125	168.0
1224.2838134765625	144.0
1226.78515625	208.0
1241.4400634765625	140.0
1318.6783447265625	176.0
1339.0875244140625	228.0
1390.651611328125	140.0
1407.8494873046875	160.0
1418.2789306640625	164.0
1425.581298828125	140.0
1486.3636474609375	156.0
1558.6207275390625	144.0
1561.29345703125	156.0
1563.039794921875	160.0
1566.2755126953125	148.0
1590.1141357421875	184.0
1616.0125732421875	144.0
1626.831787109375	172.0
1632.8018798828125	212.0
1654.7423095703125	188.0
1659.635986328125	140.0
1665.14599609375	180.0
1669.48583984375	196.0
1672.5205078125	200.0
1692.2845458984375	148.0
1708.189208984375	164.0
1710.32861328125	168.0
1732.7158203125	140.0
1736.12255859375	172.0
1743.826904296875	152.0
1746.4293212890625	160.0
1755.273681640625	160.0
1766.0635986328125	160.0
1769.3857421875	176.0
1769.78759765625	272.0
1781.1259765625	172.0
1782.5289306640625	156.0
1786.085205078125	148.0
1800.387939453125	156.0
1809.029052734375	168.0
1813.1964111328125	164.0
1833.2354736328125	152.0
1837.6182861328125	200.0
1844.01416015625	204.0
1845.954833984375	224.0
1846.1942138671875	192.0
1846.4166259765625	152.0
1847.4600830078125	176.0
1857.75341796875	188.0
1868.6334228515625	156.0
1879.0755615234375	160.0
1880.0765380859375	168.0
1887.4027099609375	192.0
1893.58056640625	148.0
1902.5030517578125	188.0
1908.7412109375	148.0
1913.5701904296875	184.0
1920.2452392578125	192.0
1922.40869140625	184.0
1925.2808837890625	168.0
1928.4522705078125	152.0
1952.3165283203125	184.0
1962.14306640625	232.0
1962.46044921875	148.0
1983.5628662109375	160.0
1986.4537353515625	180.0
1987.154541015625	152.0
1989.231201171875	168.0
1990.3853759765625	168.0
1998.2158203125	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079252
PEPMASS=335.154236
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=28.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_E27F27G26H26_BE5_01_15741.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=CGS 12066B [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN1CCN(CC1)c2nc3cc(ccc3n4cccc24)C(F)(F)F
INCHI=InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3
INCHIAUX=LXFHSCDLMBZYKY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079252
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079252
SCANS=1151
47.24345779418945	216.0
49.28004455566406	164.0
49.49964904785156	140.0
50.56303024291992	124.0
51.78984069824219	156.0
52.09968948364258	172.0
52.73660659790039	232.0
53.15079116821289	208.0
53.738624572753906	148.0
54.2167854309082	176.0
54.43096160888672	180.0
56.123775482177734	140.0
56.716217041015625	140.0
58.519596099853516	156.0
58.761932373046875	180.0
63.82665252685547	180.0
64.2120361328125	184.0
64.70419311523438	176.0
64.81150817871094	148.0
64.84516143798828	232.0
65.03762817382812	208.0
66.58602905273438	216.0
68.7074966430664	180.0
69.10731506347656	168.0
71.36911010742188	168.0
71.44984436035156	148.0
72.8955078125	184.0
75.0661392211914	184.0
75.37484741210938	172.0
77.11299133300781	188.0
77.83650970458984	152.0
78.10626983642578	164.0
78.96614074707031	148.0
79.09884643554688	188.0
79.122802734375	160.0
79.29190826416016	156.0
79.4532699584961	176.0
79.58460235595703	244.0
80.1056900024414	152.0
80.15379333496094	140.0
81.69534301757812	248.0
84.4434814453125	204.0
86.29712677001953	160.0
86.52098846435547	220.0
86.7166748046875	212.0
86.83970642089844	164.0
87.01970672607422	196.0
87.70056915283203	196.0
88.5993881225586	188.0
89.15290832519531	176.0
89.21681213378906	200.0
89.41055297851562	200.0
90.017578125	204.0
90.8769302368164	184.0
91.88529968261719	196.0
92.53702545166016	140.0
93.87245178222656	148.0
95.10871887207031	160.0
95.89060974121094	184.0
95.93429565429688	136.0
96.16950988769531	148.0
96.8107681274414	140.0
98.02478790283203	168.0
98.05632019042969	148.0
99.19482421875	172.0
100.87291717529297	160.0
101.41937255859375	152.0
101.57978057861328	160.0
101.76441192626953	148.0
102.04167938232422	192.0
102.18045043945312	140.0
102.55298614501953	188.0
102.73245239257812	184.0
103.00294494628906	144.0
103.59362030029297	168.0
104.2936782836914	156.0
104.34761810302734	128.0
105.73566436767578	220.0
106.51274108886719	140.0
107.60212707519531	180.0
108.8859634399414	172.0
109.0334701538086	176.0
109.3204574584961	188.0
109.99990844726562	156.0
110.37596893310547	180.0
110.6061019897461	196.0
110.74964141845703	232.0
111.14051055908203	176.0
112.82331848144531	188.0
113.95930480957031	192.0
114.1357192993164	140.0
116.1753921508789	140.0
116.79833984375	152.0
117.33454895019531	156.0
118.86651611328125	168.0
119.31767272949219	152.0
119.5003662109375	220.0
119.5395278930664	164.0
120.08234405517578	196.0
120.27461242675781	160.0
120.47925567626953	140.0
121.94519805908203	160.0
122.24784851074219	168.0
122.86685180664062	152.0
123.89907836914062	208.0
124.23124694824219	148.0
124.47917175292969	168.0
124.98597717285156	148.0
126.1926498413086	144.0
126.39842987060547	144.0
128.1272735595703	216.0
128.17234802246094	192.0
128.49476623535156	224.0
128.61888122558594	244.0
129.76356506347656	180.0
129.87013244628906	156.0
130.34007263183594	196.0
131.00213623046875	204.0
131.6361846923828	180.0
132.2053985595703	148.0
133.04429626464844	148.0
133.5728302001953	172.0
133.6326446533203	168.0
133.82981872558594	200.0
134.203857421875	212.0
134.63621520996094	108.0
134.9449920654297	148.0
135.1554718017578	168.0
135.5977783203125	172.0
135.65341186523438	168.0
135.7739715576172	160.0
135.95957946777344	172.0
136.14529418945312	144.0
136.56362915039062	208.0
136.70555114746094	200.0
137.1527099609375	192.0
138.31126403808594	204.0
138.6110382080078	152.0
138.78213500976562	168.0
139.26321411132812	160.0
139.54751586914062	196.0
140.0535125732422	140.0
142.0271759033203	140.0
142.73727416992188	160.0
143.4729766845703	148.0
143.9453887939453	152.0
144.77040100097656	204.0
145.3769073486328	196.0
145.43382263183594	200.0
146.1049346923828	144.0
147.07363891601562	160.0
147.1702117919922	172.0
147.8010711669922	144.0
148.2460174560547	156.0
148.99879455566406	152.0
149.0789794921875	176.0
149.31480407714844	144.0
149.72366333007812	172.0
150.5283966064453	180.0
152.3604736328125	184.0
152.8251495361328	176.0
152.86451721191406	160.0
153.7590789794922	172.0
156.88442993164062	200.0
157.65818786621094	204.0
157.89569091796875	144.0
158.040771484375	320.0
158.4363555908203	160.0
158.8299102783203	168.0
159.0733184814453	148.0
159.5631866455078	176.0
160.08151245117188	160.0
160.3057098388672	168.0
161.15858459472656	216.0
161.32032775878906	200.0
162.3584442138672	148.0
162.98544311523438	144.0
163.56019592285156	152.0
164.47360229492188	140.0
166.0515594482422	112.0
167.52561950683594	144.0
167.5808868408203	268.0
167.8231658935547	172.0
168.06788635253906	420.0
168.26177978515625	148.0
169.0734100341797	144.0
169.3892822265625	140.0
170.27894592285156	168.0
170.7545623779297	304.0
171.025146484375	232.0
171.1162567138672	180.0
171.55392456054688	184.0
171.6529998779297	176.0
172.23500061035156	196.0
172.43356323242188	184.0
172.9566650390625	144.0
173.9133758544922	148.0
174.11553955078125	196.0
174.260009765625	156.0
175.70803833007812	236.0
177.0799560546875	216.0
179.05859375	168.0
180.315185546875	188.0
181.0233917236328	252.0
181.72097778320312	200.0
182.0896759033203	180.0
182.78277587890625	152.0
183.0461883544922	188.0
183.61476135253906	168.0
183.76312255859375	160.0
184.30313110351562	156.0
184.94134521484375	172.0
184.96029663085938	164.0
185.55084228515625	176.0
186.87623596191406	156.0
186.91432189941406	156.0
187.2164764404297	160.0
187.34994506835938	176.0
187.80789184570312	140.0
188.0316162109375	252.0
188.11351013183594	192.0
188.2309112548828	148.0
188.307373046875	140.0
189.3379669189453	140.0
189.68365478515625	156.0
190.2158203125	204.0
190.98794555664062	192.0
191.05946350097656	208.0
191.35305786132812	224.0
192.0688018798828	340.0
192.465087890625	156.0
193.07855224609375	220.0
193.39671325683594	148.0
193.5628204345703	148.0
193.83428955078125	164.0
194.06678771972656	148.0
194.37222290039062	188.0
194.62481689453125	144.0
194.9248046875	144.0
197.07032775878906	196.0
197.71347045898438	160.0
197.98782348632812	156.0
198.1334686279297	160.0
199.31748962402344	140.0
200.79258728027344	196.0
200.9872283935547	192.0
201.577392578125	196.0
201.82699584960938	184.0
204.2338409423828	204.0
204.37322998046875	160.0
204.7632293701172	212.0
206.30690002441406	144.0
206.7931671142578	196.0
207.08607482910156	160.0
207.38259887695312	124.0
207.53512573242188	168.0
208.03689575195312	584.0
208.08595275878906	428.0
208.63760375976562	212.0
208.84463500976562	148.0
209.03733825683594	340.0
209.0902862548828	212.0
209.7864532470703	104.0
209.86695861816406	164.0
210.49887084960938	184.0
211.0404815673828	296.0
211.14151000976562	116.0
213.96664428710938	160.0
214.04034423828125	116.0
214.4268798828125	140.0
214.9080352783203	140.0
215.03189086914062	172.0
215.46859741210938	156.0
216.04571533203125	180.0
216.2552032470703	184.0
217.0545654296875	116.0
217.98548889160156	160.0
218.0614776611328	140.0
218.60008239746094	140.0
218.6412811279297	192.0
220.70028686523438	144.0
221.73043823242188	156.0
221.87864685058594	164.0
222.3829345703125	160.0
223.05491638183594	264.0
223.559814453125	152.0
224.33718872070312	152.0
225.0578155517578	156.0
225.62086486816406	196.0
225.7314910888672	160.0
226.548583984375	152.0
226.8412628173828	144.0
227.40916442871094	172.0
227.6973876953125	148.0
228.4097137451172	172.0
229.42755126953125	192.0
229.4878387451172	160.0
229.86488342285156	184.0
230.19830322265625	212.0
230.31773376464844	144.0
231.0724334716797	176.0
232.28524780273438	252.0
232.38690185546875	164.0
232.7981719970703	288.0
233.51539611816406	152.0
234.058837890625	104.0
234.469482421875	152.0
235.04795837402344	2008.0
235.3743438720703	192.0
236.05189514160156	236.0
236.48712158203125	220.0
237.06373596191406	5696.0
237.13031005859375	172.0
237.44915771484375	156.0
238.06573486328125	996.0
238.1067657470703	156.0
239.06817626953125	140.0
239.92752075195312	144.0
240.05201721191406	120.0
240.3346405029297	144.0
240.70504760742188	140.0
241.2333526611328	156.0
241.52711486816406	176.0
242.0749053955078	284.0
242.18020629882812	144.0
242.21737670898438	140.0
242.3474884033203	168.0
243.05995178222656	124.0
246.41400146484375	140.0
246.61399841308594	200.0
246.79531860351562	188.0
247.57760620117188	172.0
248.06324768066406	140.0
248.09458923339844	176.0
249.06484985351562	812.0
249.1773223876953	168.0
249.2213134765625	140.0
249.27471923828125	164.0
250.06532287597656	840.0
250.39151000976562	200.0
250.50225830078125	124.0
250.64666748046875	168.0
250.6844940185547	148.0
250.93980407714844	240.0
251.07855224609375	8064.0
251.17001342773438	140.0
251.6273651123047	112.0
252.0757293701172	1452.0
252.6104278564453	156.0
253.0578155517578	1380.0
256.2422180175781	212.0
256.7936706542969	208.0
257.0137939453125	244.0
257.1800231933594	188.0
258.0802001953125	272.0
258.6756896972656	148.0
259.33551025390625	212.0
259.4669494628906	168.0
259.8902893066406	140.0
260.0601806640625	196.0
260.095703125	200.0
260.2342224121094	108.0
261.0658874511719	964.0
261.25250244140625	212.0
262.060791015625	976.0
262.4377136230469	140.0
262.9393005371094	120.0
263.0700988769531	940.0
263.1346130371094	152.0
263.35418701171875	200.0
264.0296630859375	148.0
264.0748596191406	2204.0
264.15838623046875	156.0
264.364501953125	208.0
264.61212158203125	164.0
265.0751953125	320.0
265.5194091796875	148.0
265.82879638671875	108.0
267.4949035644531	208.0
267.5962219238281	160.0
267.6251220703125	176.0
267.7879333496094	236.0
269.134765625	164.0
269.5528564453125	152.0
270.1282653808594	196.0
271.677734375	188.0
271.8385314941406	164.0
271.9468078613281	172.0
272.078125	168.0
272.3473815917969	180.0
272.5675048828125	192.0
272.7969970703125	140.0
273.3040466308594	164.0
273.356689453125	164.0
273.6021728515625	164.0
273.6430358886719	196.0
275.0715026855469	508.0
275.6054992675781	152.0
275.9095764160156	140.0
276.0755615234375	1164.0
276.30877685546875	108.0
276.64410400390625	124.0
276.7029113769531	116.0
277.0498962402344	148.0
277.0838928222656	280.0
277.16168212890625	140.0
277.1883544921875	140.0
277.21368408203125	148.0
277.2467956542969	152.0
277.33416748046875	200.0
277.39044189453125	204.0
277.44647216796875	152.0
277.4779968261719	112.0
277.5747985839844	132.0
277.6493835449219	128.0
277.7120056152344	156.0
277.7507629394531	172.0
277.8281555175781	228.0
277.8743591308594	152.0
277.9319763183594	340.0
277.9688415527344	164.0
278.0177307128906	168.0
278.0915832519531	244972.0
278.21636962890625	256.0
278.2528381347656	132.0
278.2847595214844	204.0
278.3410339355469	228.0
278.38568115234375	172.0
278.4367980957031	388.0
278.4654235839844	184.0
278.515869140625	188.0
278.57293701171875	108.0
278.6374206542969	1188.0
278.7226257324219	196.0
278.76531982421875	100.0
278.8085021972656	344.0
278.891845703125	96.0
278.96759033203125	144.0
279.0453796386719	108.0
279.0931091308594	36468.0
279.2272644042969	244.0
279.2603759765625	164.0
279.43170166015625	240.0
279.47406005859375	104.0
279.5853271484375	156.0
279.63079833984375	112.0
279.8921203613281	132.0
280.0951232910156	1752.0
280.17889404296875	120.0
280.3089294433594	144.0
280.34979248046875	132.0
280.4307861328125	128.0
280.5392150878906	108.0
280.6092834472656	160.0
280.6419372558594	172.0
280.6809387207031	116.0
280.7432861328125	464.0
280.81866455078125	108.0
280.860595703125	212.0
281.0096435546875	160.0
281.0478210449219	244.0
281.1032409667969	296.0
281.12371826171875	440.0
281.161376953125	228.0
281.2152099609375	120.0
281.2427673339844	164.0
281.27093505859375	156.0
281.44091796875	96.0
281.50701904296875	160.0
281.7042541503906	136.0
281.7881774902344	180.0
281.9291687011719	156.0
282.0923767089844	244.0
282.15869140625	96.0
282.3214111328125	200.0
282.6568908691406	104.0
284.0356750488281	124.0
286.5766296386719	196.0
287.07794189453125	284.0
288.0705261230469	432.0
289.08203125	388.0
289.1159362792969	140.0
290.089599609375	368.0
291.0882263183594	128.0
291.8568115234375	188.0
292.1083679199219	360.0
293.1017150878906	260.0
293.50823974609375	172.0
293.78106689453125	236.0
293.8731994628906	208.0
294.122314453125	168.0
294.82928466796875	172.0
295.1027526855469	148.0
298.3150939941406	152.0
298.8687744140625	168.0
299.0098876953125	164.0
299.48846435546875	144.0
300.4501953125	160.0
301.2510070800781	144.0
302.0945739746094	516.0
302.9253845214844	200.0
304.10650634765625	12028.0
304.2056579589844	156.0
305.1084289550781	1644.0
305.28204345703125	220.0
306.1128234863281	396.0
306.56658935546875	164.0
307.141845703125	216.0
307.9481201171875	168.0
309.0562744140625	168.0
310.26458740234375	164.0
313.6484375	176.0
313.91424560546875	192.0
314.7152404785156	164.0
314.8352966308594	168.0
315.300537109375	208.0
315.98406982421875	160.0
317.7945251464844	144.0
318.43707275390625	100.0
319.2189025878906	192.0
320.03375244140625	168.0
324.8692626953125	152.0
327.5689392089844	204.0
328.81646728515625	160.0
331.4111022949219	156.0
331.96746826171875	180.0
332.00030517578125	160.0
332.1669616699219	148.0
333.130126953125	212.0
333.55169677734375	200.0
333.6017150878906	108.0
333.6925964355469	108.0
333.95587158203125	180.0
334.058349609375	180.0
334.1437072753906	208.0
334.2035217285156	144.0
334.2596130371094	140.0
334.40789794921875	188.0
334.4455871582031	228.0
334.53021240234375	160.0
334.5762634277344	156.0
334.6391296386719	208.0
334.6901550292969	164.0
334.77178955078125	172.0
334.8250732421875	108.0
334.88824462890625	124.0
334.9498596191406	304.0
335.0108642578125	224.0
335.04840087890625	360.0
335.0908508300781	556.0
335.15008544921875	199224.0
335.252685546875	172.0
335.2998352050781	280.0
335.42095947265625	216.0
335.4893493652344	100.0
335.5232238769531	240.0
335.5936584472656	356.0
335.74932861328125	2980.0
335.8110046386719	100.0
335.8714294433594	108.0
335.945068359375	112.0
335.9774475097656	164.0
336.0072326660156	228.0
336.03692626953125	308.0
336.1519775390625	36452.0
336.3194885253906	120.0
336.398193359375	120.0
336.514892578125	120.0
336.83172607421875	148.0
337.1533508300781	3868.0
337.3642578125	104.0
337.6101989746094	136.0
337.74346923828125	152.0
337.8148498535156	116.0
337.93109130859375	196.0
338.0013732910156	132.0
338.0328369140625	216.0
338.15460205078125	212.0
338.1863708496094	288.0
338.27227783203125	188.0
338.3094787597656	124.0
338.382080078125	144.0
338.43292236328125	220.0
338.4772033691406	300.0
338.544189453125	100.0
338.6023864746094	276.0
338.646484375	324.0
338.96063232421875	100.0
339.34033203125	140.0
339.4522399902344	108.0
340.3970642089844	144.0
341.1825256347656	120.0
341.97918701171875	160.0
348.8758544921875	100.0
349.67633056640625	156.0
405.0909423828125	140.0
420.203125	172.0
450.3702697753906	140.0
453.40380859375	176.0
532.8800048828125	128.0
542.4976806640625	100.0
549.49462890625	144.0
904.555908203125	144.0
1389.9688720703125	180.0
1822.93017578125	168.0
1888.309814453125	164.0
1903.3885498046875	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079253
PEPMASS=280.187897
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_E27F27G26H26_BE5_01_15741.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Sibutramine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)CC(N(C)C)C1(CCC1)c2ccc(Cl)cc2
INCHI=InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
INCHIAUX=UNAANXDKBXWMLN-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079253
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079253
SCANS=1249
44.93838882446289	144.0
45.087947845458984	144.0
45.24846649169922	172.0
45.40208053588867	156.0
45.4930419921875	212.0
45.62814712524414	176.0
45.7142333984375	144.0
45.9351921081543	256.0
45.9581298828125	176.0
46.02561950683594	160.0
46.07622146606445	160.0
46.24732971191406	292.0
46.26346969604492	156.0
46.38820266723633	192.0
46.79576873779297	192.0
46.904754638671875	184.0
46.93338394165039	156.0
46.964752197265625	192.0
47.33922576904297	148.0
47.348812103271484	160.0
47.37550354003906	152.0
47.3885383605957	184.0
47.40462112426758	228.0
47.6519660949707	240.0
47.700294494628906	168.0
47.88444137573242	140.0
47.98641586303711	172.0
48.002960205078125	140.0
48.07331466674805	248.0
48.203121185302734	164.0
48.25702667236328	192.0
48.283302307128906	148.0
48.539493560791016	148.0
48.578330993652344	144.0
48.65326690673828	192.0
48.675514221191406	172.0
48.69697189331055	160.0
48.742156982421875	248.0
48.851993560791016	264.0
48.86451721191406	152.0
48.925750732421875	196.0
49.332420349121094	132.0
49.3428955078125	252.0
49.3736572265625	164.0
49.422428131103516	128.0
49.48560333251953	160.0
49.496803283691406	156.0
49.613094329833984	164.0
49.79969024658203	156.0
49.86997604370117	168.0
50.0660514831543	176.0
50.327823638916016	184.0
50.44847106933594	192.0
50.52710723876953	224.0
50.57508850097656	172.0
50.73954391479492	168.0
50.810455322265625	168.0
50.9495849609375	152.0
50.962371826171875	192.0
51.10882568359375	204.0
51.26221466064453	172.0
51.31962966918945	208.0
51.370140075683594	144.0
51.40521240234375	156.0
51.456600189208984	260.0
52.108707427978516	180.0
52.15118408203125	152.0
52.21751022338867	212.0
52.28800582885742	140.0
52.45941162109375	184.0
52.55171203613281	192.0
52.59559631347656	140.0
52.623878479003906	264.0
52.84212112426758	148.0
52.85803985595703	268.0
52.91092300415039	216.0
52.981109619140625	212.0
53.340999603271484	160.0
53.51913070678711	236.0
53.80571365356445	200.0
53.94303512573242	176.0
54.111202239990234	168.0
54.15130615234375	196.0
54.17717742919922	156.0
54.18889617919922	204.0
54.229061126708984	108.0
54.266578674316406	144.0
54.560699462890625	204.0
54.581581115722656	176.0
54.67494201660156	192.0
54.78623962402344	148.0
54.79716110229492	148.0
54.91656494140625	188.0
55.07597351074219	148.0
55.10847473144531	160.0
55.21490478515625	140.0
55.27555847167969	216.0
55.43400573730469	148.0
55.51850509643555	172.0
55.866065979003906	172.0
55.91963577270508	144.0
55.95238494873047	212.0
56.01841735839844	176.0
56.14609146118164	172.0
56.202720642089844	104.0
56.28935241699219	160.0
56.440616607666016	228.0
56.453731536865234	208.0
56.500099182128906	220.0
56.52104568481445	148.0
56.798282623291016	160.0
56.840579986572266	148.0
57.154258728027344	164.0
57.17227554321289	144.0
57.2415657043457	160.0
57.25511932373047	168.0
57.29729461669922	200.0
57.538761138916016	132.0
57.73325729370117	116.0
57.88623046875	140.0
58.18202590942383	172.0
58.21390914916992	160.0
58.282840728759766	164.0
58.37803268432617	144.0
58.40388488769531	140.0
58.453975677490234	156.0
58.522586822509766	188.0
58.70086669921875	196.0
58.83361053466797	168.0
59.03070831298828	192.0
59.08118438720703	144.0
59.26643753051758	160.0
59.28022766113281	212.0
59.3906135559082	188.0
59.49821090698242	204.0
59.594791412353516	284.0
59.667232513427734	180.0
59.70700454711914	144.0
59.75776672363281	144.0
59.8824577331543	208.0
59.930213928222656	168.0
60.15383529663086	152.0
60.290931701660156	168.0
60.39952850341797	236.0
60.43975067138672	148.0
60.492374420166016	176.0
60.526432037353516	164.0
60.5790901184082	180.0
60.63642120361328	172.0
60.83748245239258	132.0
60.98998260498047	176.0
61.312477111816406	176.0
61.40134048461914	144.0
61.4216194152832	168.0
61.669883728027344	172.0
61.72303771972656	144.0
61.94386672973633	160.0
62.4255485534668	144.0
62.63014602661133	164.0
62.69789505004883	160.0
62.77987289428711	148.0
63.013484954833984	228.0
63.06405258178711	208.0
63.13994216918945	156.0
63.46314239501953	164.0
63.48359680175781	180.0
63.995758056640625	152.0
64.05487823486328	204.0
64.37635040283203	140.0
64.47699737548828	144.0
64.52974700927734	164.0
64.56343841552734	176.0
64.72014617919922	220.0
64.77619934082031	148.0
64.88838195800781	204.0
64.91361999511719	180.0
64.93809509277344	152.0
65.10821533203125	148.0
65.1373519897461	140.0
65.4191665649414	200.0
65.54254913330078	200.0
65.80061340332031	164.0
65.94599914550781	144.0
66.02037048339844	288.0
66.09639739990234	268.0
66.25992584228516	152.0
66.27288818359375	144.0
66.29557800292969	200.0
66.35392761230469	156.0
66.4804458618164	196.0
66.81581115722656	212.0
66.97892761230469	188.0
67.11322021484375	188.0
67.14093780517578	148.0
67.16867065429688	196.0
67.26008605957031	160.0
67.55908966064453	152.0
67.59508514404297	192.0
67.69244384765625	176.0
67.84239959716797	196.0
67.85879516601562	152.0
67.91851806640625	172.0
67.9588394165039	144.0
68.08195495605469	188.0
68.12794494628906	160.0
68.1425552368164	148.0
68.2347640991211	168.0
68.3285140991211	168.0
68.4025650024414	152.0
68.55738830566406	196.0
68.74208068847656	156.0
68.76848602294922	164.0
68.95016479492188	160.0
69.07582092285156	144.0
69.21484375	140.0
69.26121520996094	172.0
69.3167724609375	180.0
69.52815246582031	188.0
69.75238037109375	244.0
69.89041137695312	160.0
70.03691101074219	196.0
70.2969970703125	156.0
70.5381851196289	156.0
70.58431243896484	308.0
70.89727020263672	164.0
71.22691345214844	188.0
71.2816390991211	152.0
71.32869720458984	160.0
71.41277313232422	152.0
71.48006439208984	176.0
71.51114654541016	144.0
71.6737060546875	180.0
71.76809692382812	156.0
72.105712890625	152.0
72.22068786621094	152.0
72.6238021850586	164.0
72.75016784667969	196.0
72.79861450195312	168.0
72.88864135742188	164.0
72.94302368164062	180.0
73.02804565429688	196.0
73.14605712890625	212.0
73.19822692871094	192.0
73.24761962890625	328.0
73.26124572753906	184.0
73.28339385986328	160.0
73.38906860351562	180.0
73.5443115234375	192.0
73.8980484008789	148.0
73.95452117919922	144.0
74.21662902832031	196.0
74.43128967285156	156.0
74.47232818603516	184.0
74.5313949584961	208.0
74.72330474853516	176.0
75.05227661132812	216.0
75.3560562133789	188.0
75.38888549804688	228.0
75.44937896728516	204.0
75.68988037109375	164.0
75.8458023071289	176.0
76.06609344482422	184.0
76.08866119384766	140.0
76.36669158935547	164.0
76.41714477539062	144.0
76.52853393554688	176.0
76.6643295288086	100.0
76.68008422851562	156.0
76.77848815917969	244.0
76.90619659423828	188.0
76.93431854248047	176.0
77.161865234375	144.0
77.20558166503906	152.0
77.28079986572266	196.0
77.79254913330078	144.0
77.9699478149414	212.0
78.2337875366211	196.0
78.3165512084961	180.0
78.33064270019531	176.0
78.38526153564453	156.0
78.57038879394531	168.0
78.59333038330078	152.0
78.62509155273438	152.0
78.82817840576172	148.0
78.96076202392578	220.0
79.48158264160156	164.0
79.6964340209961	176.0
79.76751708984375	192.0
79.8813247680664	216.0
79.9258041381836	164.0
79.97563171386719	140.0
80.28385162353516	148.0
80.61567687988281	228.0
80.68739318847656	164.0
80.84479522705078	176.0
81.07222747802734	160.0
81.08777618408203	208.0
81.13496398925781	140.0
81.21028137207031	172.0
81.44849395751953	184.0
81.56648254394531	252.0
81.58917236328125	332.0
81.72225952148438	160.0
82.050048828125	172.0
82.07889556884766	152.0
82.09332275390625	236.0
82.18678283691406	148.0
82.30264282226562	144.0
82.3676528930664	152.0
82.49776458740234	180.0
82.64409637451172	224.0
82.95213317871094	204.0
83.11717224121094	160.0
83.142578125	160.0
83.29509735107422	208.0
83.3477783203125	192.0
83.40048217773438	184.0
83.43447875976562	224.0
83.65696716308594	152.0
83.70976257324219	216.0
83.87738037109375	160.0
84.0725326538086	172.0
84.10538482666016	152.0
84.24503326416016	176.0
84.33370208740234	220.0
84.47084045410156	180.0
84.57697296142578	156.0
84.60331726074219	172.0
84.69965362548828	140.0
84.7619400024414	176.0
84.8150863647461	200.0
84.9507827758789	212.0
85.01349639892578	200.0
85.158203125	168.0
85.23675537109375	200.0
85.3518295288086	264.0
85.55438995361328	96.0
85.64745330810547	144.0
85.66034698486328	152.0
85.82068634033203	212.0
86.0033187866211	240.0
86.08085632324219	192.0
86.3562240600586	156.0
87.05677032470703	188.0
87.1775131225586	152.0
87.21900939941406	208.0
88.08796691894531	188.0
88.16707611083984	144.0
88.32974243164062	140.0
88.40435791015625	132.0
88.50940704345703	180.0
88.73049926757812	212.0
89.03929901123047	576.0
89.1086196899414	184.0
89.12276458740234	140.0
89.19657135009766	176.0
89.34649658203125	168.0
89.41799926757812	228.0
89.56674194335938	156.0
89.61006927490234	152.0
89.64964294433594	140.0
89.7533187866211	148.0
89.90584564208984	168.0
90.04584503173828	332.0
90.15975952148438	156.0
90.17996215820312	168.0
90.32914733886719	192.0
90.35015106201172	156.0
90.72702026367188	144.0
90.75714874267578	112.0
90.80097198486328	168.0
90.85262298583984	120.0
90.9072036743164	176.0
90.94705963134766	188.0
91.05216217041016	112.0
91.1597671508789	140.0
91.26431274414062	140.0
91.65641784667969	224.0
92.08183288574219	260.0
92.17353057861328	236.0
92.18881225585938	192.0
92.305419921875	156.0
92.445068359375	176.0
92.53502655029297	204.0
92.8703842163086	176.0
92.8943862915039	140.0
93.07589721679688	132.0
93.25630950927734	160.0
93.29293060302734	148.0
93.42044830322266	188.0
93.55831146240234	168.0
93.64110565185547	140.0
93.81413269042969	156.0
93.85694122314453	152.0
93.88394165039062	184.0
93.95085906982422	196.0
94.03056335449219	152.0
94.08074951171875	148.0
94.90489196777344	192.0
95.0853042602539	692.0
95.15522003173828	144.0
95.78604888916016	252.0
95.83206176757812	192.0
95.8534927368164	140.0
95.91585540771484	176.0
95.962646484375	212.0
96.08392333984375	352.0
96.10404968261719	168.0
96.34712219238281	180.0
96.36080169677734	200.0
96.43309783935547	148.0
96.67951965332031	148.0
96.84593963623047	160.0
96.86161041259766	156.0
97.01372528076172	172.0
97.0399398803711	148.0
97.10138702392578	4892.0
97.19293212890625	192.0
97.5149917602539	160.0
97.61721801757812	172.0
97.9025650024414	184.0
97.92225646972656	184.0
98.05229187011719	164.0
98.10444641113281	660.0
98.34418487548828	144.0
98.37774658203125	156.0
98.44290161132812	144.0
98.45672607421875	164.0
98.8514633178711	176.0
98.9987564086914	416.0
99.06556701660156	164.0
99.34346008300781	184.0
99.71575927734375	148.0
99.98126220703125	168.0
100.10250091552734	200.0
100.16947174072266	212.0
100.30790710449219	172.0
100.41358184814453	148.0
100.51532745361328	140.0
100.83484649658203	152.0
100.93479919433594	144.0
100.99543762207031	652.0
101.19491577148438	168.0
101.25298309326172	184.0
101.30706787109375	152.0
101.61486053466797	148.0
101.6358642578125	188.0
101.6760025024414	224.0
101.7844009399414	196.0
101.87501525878906	172.0
101.9169692993164	184.0
102.00338745117188	204.0
102.04761505126953	200.0
102.16828918457031	180.0
102.22286987304688	136.0
102.74089050292969	156.0
102.81912231445312	156.0
102.94832611083984	168.0
102.97457885742188	140.0
103.03113555908203	280.0
103.05387115478516	7228.0
103.1070556640625	144.0
103.23932647705078	168.0
103.27572631835938	156.0
103.5780258178711	184.0
103.85095977783203	164.0
104.05863189697266	1256.0
104.19056701660156	172.0
104.53826141357422	184.0
104.68869018554688	160.0
104.84928131103516	140.0
104.86840057373047	156.0
104.91240692138672	176.0
105.15718078613281	212.0
105.17555236816406	144.0
105.3429946899414	144.0
105.57980346679688	144.0
105.96286010742188	200.0
106.10952758789062	128.0
106.28887176513672	204.0
106.45623016357422	136.0
106.52811431884766	216.0
106.54926300048828	160.0
106.75516510009766	208.0
107.08605194091797	180.0
107.1243667602539	200.0
107.2513427734375	144.0
107.3214340209961	160.0
107.53184509277344	180.0
107.78585815429688	208.0
107.90779876708984	184.0
108.09174346923828	168.0
108.32170104980469	152.0
108.45638275146484	164.0
108.56834411621094	192.0
108.70384216308594	196.0
109.01378631591797	160.0
109.04584503173828	152.0
109.10144805908203	16204.0
109.20861053466797	100.0
109.4181900024414	144.0
109.45149993896484	180.0
109.74876403808594	156.0
109.79058837890625	172.0
109.91632843017578	164.0
109.98519897460938	192.0
110.10417175292969	860.0
110.29642486572266	212.0
110.3926010131836	188.0
110.53903198242188	156.0
110.68205261230469	148.0
110.86361694335938	188.0
110.99697875976562	224.0
111.10209655761719	168.0
111.1509017944336	180.0
111.63294219970703	132.0
111.67274475097656	160.0
111.96233367919922	260.0
112.02130889892578	296.0
112.22151947021484	168.0
112.41932678222656	108.0
112.44090270996094	144.0
112.56756591796875	148.0
112.63783264160156	192.0
112.86550903320312	148.0
113.01274871826172	204.0
113.47953033447266	144.0
113.58344268798828	180.0
113.72772979736328	184.0
113.86360931396484	156.0
114.23638153076172	116.0
114.27174377441406	188.0
114.41309356689453	212.0
114.4334945678711	196.0
114.47821044921875	196.0
114.6912612915039	168.0
114.72110748291016	152.0
114.85215759277344	152.0
115.05474090576172	2520.0
115.25894165039062	300.0
115.77018737792969	184.0
116.06166076660156	2644.0
116.26754760742188	164.0
116.40708923339844	148.0
116.52522277832031	140.0
116.78963470458984	140.0
116.82835388183594	180.0
116.96957397460938	172.0
116.98975372314453	276.0
117.06733703613281	116.0
117.31935119628906	160.0
117.35169219970703	184.0
117.4163818359375	180.0
117.46598815917969	148.0
117.58682250976562	160.0
117.92807006835938	188.0
118.02751159667969	144.0
118.05994415283203	140.0
118.26764678955078	152.0
118.33258819580078	188.0
118.4473648071289	200.0
118.62071990966797	180.0
119.04379272460938	172.0
119.38497161865234	180.0
119.67437744140625	172.0
119.72010803222656	148.0
120.15604400634766	148.0
120.53702545166016	164.0
120.5971450805664	160.0
120.6452407836914	176.0
120.68138122558594	324.0
120.94601440429688	144.0
121.02154541015625	144.0
121.10175323486328	204.0
121.14199829101562	144.0
121.35896301269531	144.0
121.58709716796875	164.0
122.03402709960938	148.0
122.07479095458984	204.0
122.43785095214844	176.0
122.8236083984375	224.0
122.88619232177734	184.0
122.93392181396484	164.0
122.95819854736328	152.0
122.97364807128906	184.0
123.11676025390625	2404.0
123.47074890136719	176.0
123.63888549804688	172.0
123.72870635986328	116.0
123.81156158447266	148.0
123.85212707519531	140.0
123.95333862304688	168.0
124.11808013916016	460.0
124.20829772949219	160.0
124.2571029663086	260.0
124.39116668701172	268.0
124.42355346679688	176.0
124.5022201538086	140.0
124.5177993774414	180.0
124.59233093261719	140.0
124.70704650878906	180.0
124.72254943847656	268.0
124.8062515258789	320.0
124.88806915283203	292.0
124.9146728515625	144.0
124.95784759521484	128.0
124.98164367675781	312.0
124.9892807006836	296.0
125.0161361694336	176480.0
125.13662719726562	236.0
125.19206237792969	236.0
125.22834777832031	156.0
125.26109313964844	96.0
125.33618927001953	200.0
125.38194274902344	1272.0
125.43878936767578	112.0
125.50546264648438	148.0
125.57598876953125	120.0
125.61936950683594	172.0
125.64022064208984	236.0
125.66090393066406	144.0
125.880615234375	100.0
125.90636444091797	156.0
125.93242645263672	120.0
126.01904296875	14440.0
126.07549285888672	244.0
126.10457611083984	128.0
126.2791748046875	104.0
126.31563568115234	184.0
126.46993255615234	284.0
126.48849487304688	136.0
126.61701965332031	172.0
126.66635131835938	176.0
126.68782806396484	104.0
126.72224426269531	176.0
126.74510192871094	124.0
126.77578735351562	224.0
126.84262084960938	104.0
126.882568359375	116.0
126.89823913574219	216.0
126.91729736328125	236.0
126.94068908691406	220.0
126.9754867553711	148.0
127.01246643066406	65284.0
127.0751953125	412.0
127.11390686035156	132.0
127.13505554199219	140.0
127.24593353271484	184.0
127.52228546142578	208.0
127.61851501464844	148.0
127.6500015258789	212.0
127.69609832763672	128.0
127.968505859375	124.0
128.0155029296875	2368.0
128.06178283691406	844.0
128.31541442871094	144.0
128.38174438476562	152.0
128.7632598876953	220.0
128.918212890625	152.0
128.9600067138672	148.0
129.00794982910156	288.0
129.02377319335938	124.0
129.06996154785156	2112.0
129.22439575195312	148.0
130.0771484375	2704.0
130.454833984375	132.0
130.58547973632812	168.0
131.05740356445312	200.0
131.08123779296875	744.0
131.54598999023438	128.0
132.0863037109375	164.0
132.15951538085938	148.0
132.484619140625	144.0
132.74591064453125	232.0
133.0626220703125	136.0
133.08779907226562	148.0
133.76702880859375	100.0
134.0953826904297	148.0
134.1737518310547	148.0
134.27752685546875	200.0
134.5128631591797	180.0
134.69361877441406	160.0
135.1553497314453	224.0
135.48101806640625	176.0
135.70660400390625	184.0
135.72747802734375	152.0
135.84808349609375	184.0
136.00819396972656	180.0
136.20091247558594	140.0
136.37518310546875	156.0
136.39608764648438	192.0
136.4586944580078	116.0
136.56118774414062	156.0
136.95359802246094	208.0
137.01478576660156	428.0
137.04779052734375	120.0
137.20852661132812	184.0
137.423095703125	168.0
137.49581909179688	172.0
137.63082885742188	164.0
137.97813415527344	148.0
138.20114135742188	148.0
138.32049560546875	152.0
138.5278778076172	128.0
138.5874786376953	188.0
138.68824768066406	164.0
138.7713165283203	220.0
138.78904724121094	208.0
138.8209228515625	148.0
138.88177490234375	148.0
138.94873046875	348.0
139.0316162109375	142364.0
139.0731201171875	460.0
139.1580047607422	104.0
139.2530517578125	204.0
139.32144165039062	116.0
139.3748321533203	268.0
139.3952178955078	128.0
139.4170379638672	864.0
139.52835083007812	168.0
139.65090942382812	192.0
139.87330627441406	176.0
139.90206909179688	124.0
139.9957275390625	172.0
140.0347442626953	9232.0
140.58311462402344	132.0
140.64285278320312	156.0
140.69190979003906	236.0
140.76046752929688	152.0
140.7918701171875	176.0
140.81524658203125	176.0
140.9230499267578	136.0
141.02857971191406	38596.0
141.09454345703125	292.0
141.20321655273438	148.0
141.22987365722656	348.0
141.39956665039062	100.0
141.48281860351562	108.0
141.77627563476562	140.0
141.80523681640625	116.0
142.0313262939453	2348.0
142.07418823242188	524.0
142.18751525878906	152.0
142.20729064941406	104.0
142.65113830566406	228.0
142.97146606445312	112.0
143.08587646484375	796.0
143.2004852294922	128.0
143.87124633789062	172.0
144.02407836914062	184.0
144.092529296875	1968.0
144.1363525390625	144.0
144.67210388183594	156.0
145.09852600097656	200.0
145.23521423339844	156.0
145.39596557617188	172.0
145.9845428466797	152.0
146.8057098388672	176.0
146.9190673828125	180.0
146.9827423095703	144.0
147.1145477294922	180.0
147.1378631591797	192.0
147.6968994140625	176.0
148.25559997558594	164.0
148.44041442871094	156.0
148.5228729248047	204.0
148.5782470703125	116.0
149.0130615234375	164.0
149.13717651367188	188.0
149.5287628173828	148.0
150.00128173828125	168.0
150.19635009765625	232.0
150.7236785888672	164.0
151.03065490722656	14692.0
151.09011840820312	196.0
151.90475463867188	144.0
151.94544982910156	280.0
152.0333709716797	1104.0
152.11477661132812	184.0
152.2277069091797	176.0
152.36770629882812	148.0
152.65774536132812	200.0
152.78717041015625	136.0
152.93206787109375	152.0
152.97647094726562	140.0
153.0467987060547	66760.0
153.08544921875	320.0
153.12416076660156	140.0
153.23793029785156	136.0
153.44923400878906	96.0
153.7696075439453	112.0
153.9261474609375	192.0
154.05006408691406	5824.0
154.0985565185547	128.0
154.20350646972656	232.0
154.5076446533203	208.0
154.80218505859375	188.0
154.82138061523438	96.0
154.9080810546875	180.0
154.94210815429688	140.0
155.0433807373047	16000.0
155.21353149414062	124.0
156.048828125	468.0
156.09385681152344	168.0
157.0478057861328	168.0
157.10873413085938	164.0
157.2434844970703	148.0
157.46067810058594	152.0
157.49066162109375	232.0
157.75552368164062	140.0
157.87803649902344	200.0
158.10882568359375	176.0
158.33262634277344	180.0
159.01795959472656	172.0
160.378662109375	172.0
160.50975036621094	144.0
161.34799194335938	152.0
161.7451629638672	228.0
163.02816772460938	156.0
163.9013214111328	156.0
164.00579833984375	140.0
164.03994750976562	356.0
164.46116638183594	136.0
164.65640258789062	176.0
165.04641723632812	13360.0
165.11712646484375	220.0
165.44139099121094	100.0
165.71165466308594	152.0
165.7487335205078	156.0
165.9025115966797	164.0
166.05035400390625	556.0
167.0450897216797	3620.0
167.0581512451172	4304.0
167.469970703125	180.0
167.7843475341797	156.0
167.84364318847656	184.0
168.04905700683594	376.0
168.0677947998047	436.0
169.05809020996094	1324.0
169.2193145751953	120.0
169.8594207763672	188.0
170.06488037109375	256.0
171.12562561035156	176.0
171.31663513183594	152.0
172.0938262939453	140.0
172.17196655273438	164.0
172.96437072753906	148.0
173.06646728515625	184.0
173.64559936523438	180.0
173.88697814941406	184.0
174.23883056640625	180.0
174.43067932128906	228.0
177.0476531982422	288.0
177.7876434326172	204.0
178.05844116210938	140.0
178.30865478515625	112.0
178.7486114501953	200.0
178.85194396972656	180.0
178.9732208251953	140.0
179.0148468017578	120.0
179.06219482421875	31432.0
179.23350524902344	188.0
179.32803344726562	144.0
179.40748596191406	156.0
179.45547485351562	188.0
179.7755584716797	192.0
180.0657958984375	2800.0
180.2482147216797	168.0
180.70008850097656	156.0
181.05960083007812	7156.0
181.1069793701172	148.0
181.17788696289062	136.0
181.41864013671875	116.0
181.471435546875	140.0
182.06234741210938	844.0
182.2498016357422	156.0
183.06483459472656	144.0
183.11061096191406	168.0
183.65774536132812	144.0
184.34349060058594	184.0
185.5533905029297	148.0
186.56057739257812	144.0
187.9441375732422	152.0
188.0369110107422	148.0
188.27989196777344	160.0
188.3099365234375	140.0
188.490234375	160.0
188.5585479736328	192.0
188.65968322753906	192.0
189.41221618652344	168.0
189.75750732421875	168.0
190.29251098632812	164.0
191.060302734375	272.0
191.18310546875	152.0
192.92770385742188	96.0
193.07742309570312	2488.0
193.45468139648438	168.0
194.09005737304688	224.0
195.07704162597656	472.0
198.0100555419922	168.0
198.15850830078125	176.0
198.52850341796875	196.0
199.1420440673828	104.0
199.25830078125	144.0
199.58433532714844	172.0
199.70245361328125	232.0
200.9983367919922	172.0
201.45289611816406	168.0
202.391845703125	228.0
202.57310485839844	164.0
203.25070190429688	176.0
203.80722045898438	156.0
204.05165100097656	172.0
204.11988830566406	140.0
204.44418334960938	164.0
204.5124969482422	180.0
205.49278259277344	176.0
207.9939422607422	152.0
208.5942840576172	412.0
209.6938018798828	148.0
210.2735137939453	168.0
210.89158630371094	156.0
212.67578125	152.0
213.06781005859375	172.0
215.07125854492188	164.0
215.4479522705078	140.0
216.1847686767578	188.0
216.4248046875	156.0
216.6913299560547	144.0
217.56822204589844	188.0
217.7179718017578	156.0
218.4982147216797	116.0
218.57928466796875	140.0
219.9556121826172	164.0
221.54562377929688	144.0
222.18687438964844	236.0
225.9316864013672	160.0
228.29222106933594	224.0
230.4323272705078	184.0
232.8695068359375	256.0
234.87362670898438	148.0
235.12368774414062	4236.0
235.4107666015625	160.0
235.61378479003906	112.0
236.125732421875	584.0
237.12022399902344	1056.0
237.69129943847656	144.0
238.12258911132812	248.0
238.92027282714844	160.0
239.61912536621094	208.0
240.8870391845703	196.0
244.21920776367188	188.0
244.349853515625	152.0
244.78250122070312	176.0
248.75941467285156	144.0
249.48507690429688	140.0
252.1959686279297	164.0
252.24339294433594	140.0
252.29080200195312	192.0
253.32244873046875	220.0
253.8107452392578	268.0
253.88027954101562	144.0
255.65609741210938	204.0
256.14959716796875	200.0
256.4363708496094	164.0
257.5914306640625	172.0
258.2306823730469	148.0
258.6146240234375	200.0
259.34490966796875	176.0
260.18212890625	180.0
260.5675048828125	204.0
261.426025390625	180.0
262.0088195800781	156.0
263.1601867675781	144.0
264.1976318359375	208.0
265.1787414550781	152.0
267.20501708984375	156.0
268.2341003417969	144.0
271.267578125	160.0
274.2060852050781	200.0
275.3707275390625	196.0
275.60858154296875	144.0
275.64642333984375	140.0
276.27642822265625	192.0
277.6907958984375	144.0
277.952880859375	140.0
278.00006103515625	148.0
278.1407775878906	120.0
278.17205810546875	96.0
278.2102355957031	184.0
278.666748046875	192.0
278.7830505371094	116.0
278.9638671875	160.0
279.0888671875	208.0
279.1449890136719	164.0
279.1935119628906	120.0
279.25616455078125	136.0
279.42144775390625	208.0
279.4747009277344	100.0
279.5866394042969	168.0
279.6144714355469	196.0
279.7872009277344	276.0
279.8154296875	128.0
279.875732421875	172.0
279.9952392578125	164.0
280.0494689941406	304.0
280.079345703125	168.0
280.1097106933594	364.0
280.1839599609375	157396.0
280.3065185546875	208.0
280.3951721191406	136.0
280.50531005859375	460.0
280.5478515625	304.0
280.5758361816406	200.0
280.6015319824219	260.0
280.6685485839844	132.0
280.69378662109375	140.0
280.7315673828125	2372.0
280.76544189453125	192.0
280.869873046875	216.0
280.9151611328125	128.0
280.9779968261719	148.0
281.0032043457031	132.0
281.05047607421875	220.0
281.0624694824219	236.0
281.0896911621094	200.0
281.1861877441406	33776.0
281.3170471191406	164.0
281.461669921875	192.0
281.54254150390625	116.0
281.5699157714844	160.0
281.6076965332031	236.0
281.7341613769531	128.0
281.9372253417969	104.0
281.9794616699219	184.0
282.0824279785156	152.0
282.13494873046875	240.0
282.180419921875	62092.0
282.32855224609375	200.0
282.40875244140625	124.0
282.4540710449219	228.0
282.48406982421875	120.0
282.6038818359375	276.0
282.6932678222656	144.0
282.8703308105469	184.0
282.90313720703125	260.0
282.93695068359375	236.0
282.9881896972656	208.0
283.10205078125	104.0
283.18280029296875	7124.0
283.31512451171875	224.0
283.3428039550781	108.0
283.3748779296875	148.0
283.4638671875	192.0
283.50433349609375	152.0
283.7608642578125	144.0
283.8122253417969	104.0
284.46575927734375	116.0
284.4979553222656	144.0
284.8311767578125	120.0
285.11932373046875	196.0
285.1645202636719	108.0
285.1947326660156	132.0
285.28509521484375	128.0
285.62158203125	116.0
286.42236328125	112.0
287.4125671386719	160.0
290.9394836425781	104.0
295.10406494140625	140.0
298.8941345214844	108.0
316.16424560546875	140.0
327.0393371582031	260.0
352.5962219238281	140.0
358.62005615234375	160.0
386.7793884277344	184.0
429.2387390136719	160.0
489.20361328125	144.0
575.3775024414062	140.0
848.3386840820312	200.0
967.564453125	180.0
1013.7485961914062	156.0
1015.7964477539062	192.0
1019.9873657226562	148.0
1020.4569702148438	148.0
1024.3843994140625	152.0
1039.594970703125	152.0
1042.8189697265625	140.0
1044.64501953125	176.0
1053.3668212890625	200.0
1061.35302734375	240.0
1067.8599853515625	152.0
1076.5211181640625	208.0
1083.5067138671875	140.0
1084.60107421875	140.0
1088.182861328125	276.0
1097.8687744140625	148.0
1102.8665771484375	152.0
1110.06298828125	204.0
1120.25732421875	204.0
1124.6126708984375	216.0
1129.8843994140625	188.0
1137.9207763671875	156.0
1148.222900390625	256.0
1148.3577880859375	148.0
1150.43603515625	208.0
1162.7415771484375	260.0
1179.134521484375	160.0
1179.2779541015625	164.0
1180.501708984375	152.0
1189.188720703125	156.0
1194.135498046875	176.0
1197.8248291015625	172.0
1202.817138671875	172.0
1205.513427734375	196.0
1215.156005859375	180.0
1216.8355712890625	148.0
1228.7158203125	160.0
1231.4940185546875	148.0
1235.8631591796875	192.0
1236.248046875	184.0
1236.6259765625	172.0
1264.2708740234375	160.0
1264.7874755859375	244.0
1265.0565185546875	184.0
1266.7489013671875	200.0
1266.833984375	168.0
1272.088623046875	160.0
1272.7843017578125	160.0
1279.41064453125	196.0
1281.1768798828125	192.0
1281.5687255859375	228.0
1286.9893798828125	184.0
1288.867919921875	212.0
1295.213623046875	272.0
1298.037353515625	148.0
1300.533935546875	164.0
1302.96826171875	144.0
1307.296875	240.0
1307.635009765625	160.0
1316.740966796875	180.0
1317.6004638671875	200.0
1318.539794921875	272.0
1322.5177001953125	156.0
1324.407470703125	192.0
1331.558837890625	224.0
1332.6121826171875	156.0
1340.951416015625	140.0
1343.6640625	144.0
1347.3289794921875	152.0
1351.8402099609375	164.0
1362.1927490234375	156.0
1362.662841796875	168.0
1362.8759765625	144.0
1371.0218505859375	176.0
1371.744140625	140.0
1371.8768310546875	216.0
1376.4364013671875	176.0
1379.38427734375	168.0
1383.9932861328125	140.0
1384.134033203125	148.0
1386.726806640625	164.0
1393.3458251953125	188.0
1397.68798828125	188.0
1400.79248046875	192.0
1401.0308837890625	180.0
1401.2235107421875	128.0
1404.265869140625	152.0
1404.3404541015625	196.0
1409.5738525390625	212.0
1414.54736328125	148.0
1416.7713623046875	156.0
1418.210205078125	200.0
1443.0977783203125	200.0
1443.513671875	200.0
1444.095947265625	172.0
1457.4381103515625	212.0
1458.9354248046875	140.0
1459.9542236328125	152.0
1461.34619140625	188.0
1465.1300048828125	160.0
1467.263916015625	248.0
1467.363037109375	148.0
1468.720458984375	156.0
1469.91064453125	184.0
1472.5443115234375	156.0
1474.2708740234375	160.0
1482.3978271484375	168.0
1491.254150390625	264.0
1491.792236328125	160.0
1493.36083984375	188.0
1497.255126953125	216.0
1499.2196044921875	148.0
1502.257568359375	216.0
1503.3917236328125	144.0
1507.4923095703125	152.0
1508.44287109375	168.0
1508.744384765625	160.0
1510.6622314453125	216.0
1518.865478515625	200.0
1521.2650146484375	140.0
1524.8828125	160.0
1525.6368408203125	140.0
1526.7642822265625	276.0
1527.755859375	212.0
1528.919189453125	204.0
1532.509033203125	160.0
1538.0537109375	152.0
1541.8040771484375	292.0
1543.00634765625	248.0
1543.1705322265625	148.0
1543.6495361328125	220.0
1543.7413330078125	148.0
1546.4248046875	160.0
1551.931884765625	180.0
1552.3553466796875	168.0
1558.33642578125	228.0
1559.829833984375	136.0
1561.05615234375	144.0
1566.927978515625	240.0
1570.333251953125	176.0
1571.9268798828125	180.0
1572.3372802734375	156.0
1574.23193359375	148.0
1574.8382568359375	148.0
1582.6611328125	172.0
1584.1817626953125	180.0
1584.506591796875	156.0
1585.1246337890625	140.0
1589.16845703125	160.0
1591.0177001953125	168.0
1592.5343017578125	192.0
1599.626953125	180.0
1599.8577880859375	148.0
1603.0755615234375	164.0
1608.052001953125	200.0
1608.3233642578125	144.0
1610.9105224609375	208.0
1612.8602294921875	148.0
1613.0440673828125	164.0
1617.3074951171875	192.0
1617.923828125	172.0
1617.9959716796875	144.0
1619.357177734375	156.0
1621.841064453125	204.0
1622.20166015625	144.0
1623.9658203125	164.0
1625.5220947265625	148.0
1625.819091796875	208.0
1626.902587890625	184.0
1626.9989013671875	212.0
1627.7857666015625	144.0
1629.3359375	140.0
1630.263916015625	172.0
1632.703857421875	140.0
1635.7210693359375	168.0
1636.6710205078125	180.0
1637.0897216796875	188.0
1639.3614501953125	168.0
1639.667724609375	224.0
1642.755859375	180.0
1642.8365478515625	144.0
1644.5552978515625	180.0
1645.0010986328125	172.0
1647.244140625	184.0
1648.32666015625	172.0
1649.9512939453125	172.0
1650.6142578125	140.0
1650.921630859375	168.0
1652.466552734375	144.0
1655.469482421875	172.0
1661.4188232421875	164.0
1661.8082275390625	160.0
1662.140869140625	232.0
1664.373046875	200.0
1667.6876220703125	180.0
1668.9476318359375	160.0
1669.3785400390625	200.0
1671.355224609375	148.0
1672.3236083984375	192.0
1672.9051513671875	180.0
1673.0399169921875	156.0
1673.2679443359375	196.0
1678.417236328125	200.0
1684.236083984375	156.0
1684.7833251953125	200.0
1686.1724853515625	340.0
1686.5401611328125	264.0
1688.715087890625	224.0
1689.8194580078125	212.0
1690.0731201171875	172.0
1690.2039794921875	156.0
1691.775390625	160.0
1692.4713134765625	176.0
1692.8480224609375	172.0
1693.322998046875	180.0
1695.33837890625	168.0
1696.1824951171875	144.0
1698.2159423828125	192.0
1702.4261474609375	164.0
1702.754638671875	204.0
1703.51025390625	144.0
1705.82763671875	200.0
1705.9344482421875	164.0
1706.0084228515625	148.0
1706.107177734375	168.0
1710.746826171875	180.0
1714.412109375	192.0
1717.074951171875	232.0
1719.640869140625	208.0
1719.9132080078125	196.0
1720.763427734375	176.0
1721.83740234375	136.0
1722.0902099609375	180.0
1723.4312744140625	196.0
1723.72802734375	244.0
1724.19970703125	164.0
1725.37353515625	180.0
1726.167236328125	192.0
1726.828857421875	148.0
1728.260009765625	164.0
1729.8076171875	176.0
1730.7430419921875	240.0
1734.08154296875	176.0
1735.3001708984375	156.0
1735.601806640625	156.0
1735.781005859375	196.0
1737.9957275390625	192.0
1739.5892333984375	196.0
1740.6435546875	204.0
1742.0894775390625	172.0
1747.201416015625	160.0
1748.9827880859375	252.0
1751.4930419921875	176.0
1752.9298095703125	144.0
1754.5968017578125	140.0
1755.7308349609375	188.0
1756.022705078125	260.0
1756.3062744140625	148.0
1756.98193359375	156.0
1760.237060546875	172.0
1761.364501953125	156.0
1762.1163330078125	148.0
1763.2528076171875	184.0
1764.1947021484375	140.0
1764.6905517578125	156.0
1764.9462890625	160.0
1765.4515380859375	140.0
1765.7860107421875	172.0
1766.279541015625	204.0
1766.664306640625	268.0
1767.894287109375	152.0
1769.57666015625	280.0
1769.9869384765625	152.0
1770.0623779296875	236.0
1772.4495849609375	168.0
1773.1619873046875	152.0
1773.68994140625	160.0
1775.1810302734375	136.0
1775.240966796875	236.0
1777.1534423828125	216.0
1777.3968505859375	168.0
1779.856201171875	216.0
1780.1417236328125	184.0
1783.5274658203125	192.0
1783.6282958984375	180.0
1784.3428955078125	140.0
1784.4774169921875	164.0
1785.47802734375	176.0
1785.940673828125	176.0
1786.84912109375	192.0
1788.1365966796875	148.0
1790.4517822265625	164.0
1790.9234619140625	172.0
1791.1209716796875	176.0
1791.3951416015625	180.0
1791.4541015625	144.0
1792.4736328125	172.0
1792.64208984375	212.0
1793.012939453125	160.0
1796.7314453125	196.0
1797.828369140625	176.0
1801.804443359375	160.0
1802.4727783203125	204.0
1802.971435546875	208.0
1803.31787109375	152.0
1804.5267333984375	152.0
1804.9072265625	160.0
1805.346923828125	148.0
1805.96533203125	148.0
1806.1080322265625	148.0
1807.0133056640625	164.0
1807.78955078125	184.0
1807.9271240234375	148.0
1808.392578125	176.0
1808.62109375	192.0
1809.0528564453125	196.0
1811.1148681640625	164.0
1811.1951904296875	148.0
1811.5340576171875	172.0
1811.796630859375	144.0
1813.4320068359375	220.0
1814.974853515625	164.0
1815.0936279296875	188.0
1815.8992919921875	156.0
1817.731689453125	184.0
1818.3511962890625	140.0
1819.09814453125	152.0
1820.5205078125	176.0
1824.467041015625	176.0
1825.130126953125	240.0
1827.2734375	192.0
1827.341552734375	160.0
1829.324462890625	152.0
1829.51171875	216.0
1829.971435546875	164.0
1833.9326171875	196.0
1836.2176513671875	180.0
1838.6575927734375	148.0
1840.86865234375	184.0
1842.1839599609375	168.0
1842.4727783203125	180.0
1843.858642578125	164.0
1844.0125732421875	172.0
1845.3006591796875	260.0
1845.3973388671875	144.0
1845.542724609375	224.0
1845.63671875	200.0
1846.0985107421875	160.0
1846.6373291015625	176.0
1849.572021484375	144.0
1852.7918701171875	164.0
1854.3875732421875	252.0
1856.606201171875	164.0
1857.395263671875	180.0
1857.4810791015625	212.0
1858.17724609375	132.0
1858.68212890625	140.0
1859.0596923828125	152.0
1859.583251953125	208.0
1860.0723876953125	164.0
1860.8621826171875	148.0
1865.4326171875	200.0
1866.4384765625	272.0
1866.9974365234375	168.0
1869.4744873046875	128.0
1870.5594482421875	204.0
1871.8935546875	192.0
1872.2900390625	172.0
1873.384033203125	176.0
1873.884765625	160.0
1875.038330078125	152.0
1875.8399658203125	164.0
1876.055419921875	148.0
1876.2623291015625	144.0
1876.710693359375	292.0
1876.77197265625	156.0
1877.046875	164.0
1877.5902099609375	220.0
1877.978271484375	152.0
1878.3836669921875	236.0
1880.2991943359375	208.0
1881.5853271484375	140.0
1881.8011474609375	196.0
1882.1724853515625	208.0
1882.4832763671875	176.0
1883.0360107421875	140.0
1883.4765625	152.0
1884.6199951171875	168.0
1885.13525390625	180.0
1885.2735595703125	152.0
1889.8392333984375	152.0
1891.3623046875	152.0
1892.271240234375	224.0
1893.23193359375	216.0
1894.6429443359375	188.0
1895.40673828125	164.0
1896.2733154296875	208.0
1897.5736083984375	140.0
1899.51611328125	180.0
1899.759033203125	168.0
1899.9151611328125	276.0
1900.6787109375	164.0
1900.7568359375	172.0
1900.921630859375	168.0
1902.9527587890625	140.0
1903.4302978515625	160.0
1903.864501953125	164.0
1904.957275390625	168.0
1905.4019775390625	220.0
1905.6539306640625	172.0
1909.3048095703125	176.0
1910.0614013671875	164.0
1910.2528076171875	184.0
1911.73193359375	164.0
1915.0489501953125	144.0
1916.172607421875	152.0
1916.7738037109375	156.0
1916.956787109375	176.0
1918.9964599609375	232.0
1921.1243896484375	140.0
1921.2030029296875	168.0
1922.18017578125	200.0
1923.593994140625	164.0
1924.2138671875	148.0
1924.685302734375	172.0
1926.3621826171875	140.0
1928.6951904296875	144.0
1929.1060791015625	152.0
1929.4119873046875	156.0
1930.8897705078125	156.0
1931.0821533203125	160.0
1931.1522216796875	140.0
1932.8055419921875	172.0
1934.9061279296875	176.0
1935.1729736328125	204.0
1935.5015869140625	184.0
1937.2093505859375	144.0
1937.9056396484375	144.0
1938.1151123046875	136.0
1938.1859130859375	176.0
1940.092529296875	164.0
1943.1444091796875	180.0
1943.6884765625	160.0
1943.7498779296875	148.0
1944.767822265625	164.0
1945.575439453125	220.0
1946.6993408203125	172.0
1947.893798828125	260.0
1948.5438232421875	288.0
1948.6141357421875	148.0
1948.6932373046875	152.0
1950.0289306640625	168.0
1950.2322998046875	148.0
1951.253662109375	184.0
1952.0596923828125	188.0
1952.288330078125	184.0
1952.607421875	172.0
1953.1678466796875	140.0
1953.5511474609375	184.0
1954.5328369140625	128.0
1954.81298828125	208.0
1954.971435546875	188.0
1956.2652587890625	188.0
1958.854248046875	176.0
1959.3828125	192.0
1960.2110595703125	176.0
1960.36083984375	168.0
1960.457763671875	164.0
1961.9296875	176.0
1962.187255859375	160.0
1964.6546630859375	248.0
1964.8394775390625	196.0
1965.2723388671875	160.0
1965.8546142578125	192.0
1966.1884765625	204.0
1966.710693359375	152.0
1967.0877685546875	112.0
1968.80322265625	256.0
1969.4036865234375	184.0
1969.6951904296875	356.0
1970.4991455078125	220.0
1970.887939453125	164.0
1971.4268798828125	228.0
1971.5506591796875	232.0
1972.8587646484375	164.0
1973.5218505859375	172.0
1974.2557373046875	212.0
1976.4937744140625	152.0
1978.6180419921875	160.0
1980.3890380859375	156.0
1981.5767822265625	208.0
1982.61279296875	208.0
1982.825439453125	212.0
1983.08251953125	144.0
1984.0841064453125	152.0
1984.2791748046875	160.0
1984.5142822265625	100.0
1985.2545166015625	184.0
1985.5560302734375	172.0
1987.6851806640625	144.0
1987.77392578125	172.0
1988.19091796875	192.0
1988.2974853515625	148.0
1990.1971435546875	160.0
1990.383544921875	316.0
1991.9200439453125	244.0
1993.3948974609375	148.0
1993.839111328125	216.0
1994.12353515625	168.0
1996.4705810546875	180.0
1997.3778076171875	156.0
1998.9703369140625	228.0
1999.1483154296875	252.0
1999.6734619140625	164.0
2002.0325927734375	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079254
PEPMASS=391.253235
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=30.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003672_E27F27G26H26_BE5_01_15741.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
INCHI=InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
INCHIAUX=AJLFOPYRIVGYMJ-INTXDZFKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079254
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079254
SCANS=2330
47.10129928588867	164.0
49.968467712402344	152.0
50.10926055908203	280.0
53.81745147705078	188.0
53.981109619140625	172.0
54.729469299316406	156.0
55.33778762817383	144.0
55.82448196411133	180.0
56.72479248046875	208.0
57.925804138183594	204.0
61.86391830444336	172.0
65.91698455810547	192.0
66.29241180419922	148.0
71.30524444580078	148.0
73.29710388183594	140.0
75.31640625	212.0
76.88945770263672	140.0
77.0710678100586	144.0
80.47309112548828	172.0
81.57667541503906	152.0
84.98206329345703	196.0
91.05615234375	184.0
91.92920684814453	148.0
94.39385223388672	200.0
95.0815658569336	180.0
96.85779571533203	144.0
99.0818862915039	204.0
99.49093627929688	108.0
101.88092041015625	196.0
102.23480224609375	192.0
105.06822204589844	552.0
107.0516128540039	196.0
107.96788787841797	152.0
108.41712951660156	164.0
108.58189392089844	184.0
111.04193878173828	168.0
114.38678741455078	172.0
115.06684112548828	172.0
117.06954956054688	432.0
119.08190155029297	304.0
124.13302612304688	208.0
125.05904388427734	496.0
127.05512237548828	236.0
128.06280517578125	204.0
129.0677032470703	592.0
130.075439453125	644.0
131.084228515625	444.0
131.1434326171875	192.0
133.09609985351562	168.0
133.99644470214844	140.0
137.6006317138672	172.0
141.0729217529297	160.0
142.0781707763672	432.0
142.6243438720703	188.0
143.08509826660156	1500.0
144.09088134765625	640.0
145.10211181640625	1412.0
146.11569213867188	180.0
147.11346435546875	144.0
147.13160705566406	148.0
147.1654052734375	160.0
148.12066650390625	164.0
149.02313232421875	180.0
149.19082641601562	212.0
150.46983337402344	168.0
152.0634002685547	140.0
154.0801239013672	140.0
155.08575439453125	776.0
156.0890655517578	344.0
157.09988403320312	1932.0
158.08584594726562	176.0
158.1027374267578	364.0
158.3887939453125	168.0
158.7998504638672	160.0
159.08441162109375	128.0
159.1171417236328	8592.0
159.1715850830078	128.0
160.11947631835938	1224.0
161.13113403320312	200.0
165.09103393554688	164.0
165.84629821777344	188.0
167.51394653320312	164.0
168.0924072265625	172.0
169.10107421875	1192.0
169.24429321289062	192.0
170.1031494140625	240.0
171.1149139404297	628.0
173.13294982910156	176.0
175.11219787597656	148.0
177.0852813720703	152.0
180.10415649414062	168.0
181.10899353027344	260.0
182.105224609375	148.0
183.08389282226562	160.0
183.1163787841797	944.0
184.12294006347656	336.0
185.13241577148438	10580.0
185.2646026611328	176.0
185.48287963867188	136.0
186.13377380371094	1212.0
187.1494140625	1296.0
187.1865692138672	152.0
187.66067504882812	152.0
187.76304626464844	132.0
188.14903259277344	312.0
191.0897674560547	176.0
191.10845947265625	324.0
192.0963897705078	132.0
193.09896850585938	628.0
194.09886169433594	136.0
195.12022399902344	124.0
196.12551879882812	160.0
197.09271240234375	160.0
197.1288604736328	596.0
198.0970916748047	160.0
198.98329162597656	160.0
199.14486694335938	148.0
201.12274169921875	140.0
201.15977478027344	316.0
205.1051788330078	200.0
207.11175537109375	340.0
207.13394165039062	160.0
207.80764770507812	160.0
208.12623596191406	212.0
208.94569396972656	140.0
209.1323699951172	1708.0
210.13394165039062	944.0
210.91783142089844	176.0
211.1133270263672	156.0
211.14785766601562	6024.0
211.22671508789062	152.0
212.15188598632812	1112.0
213.1377716064453	168.0
215.11007690429688	112.0
216.12649536132812	176.0
217.11366271972656	140.0
220.12429809570312	516.0
221.10855102539062	152.0
223.11965942382812	156.0
223.14796447753906	140.0
224.14947509765625	188.0
224.56385803222656	144.0
225.16445922851562	2056.0
225.80032348632812	152.0
226.1656951904297	340.0
229.1246795654297	156.0
229.15785217285156	5448.0
230.12269592285156	120.0
230.15982055664062	1108.0
230.7106170654297	236.0
231.16969299316406	188.0
235.14700317382812	1212.0
235.21868896484375	184.0
236.1528778076172	468.0
238.13563537597656	128.0
239.18826293945312	148.0
243.1351776123047	280.0
251.14483642578125	172.0
253.1584014892578	1700.0
254.16172790527344	648.0
255.15809631347656	224.0
258.10626220703125	256.0
271.1693115234375	4412.0
272.17364501953125	880.0
273.17401123046875	468.0
274.03173828125	140.0
285.8517150878906	128.0
289.1800231933594	1252.0
289.46466064453125	272.0
290.18133544921875	336.0
307.1885070800781	168.0
308.19970703125	140.0
350.0449523925781	220.0
390.2657470703125	104.0
391.2472229003906	692.0
393.210205078125	276.0
393.30474853515625	164.0
393.35211181640625	148.0
1302.510009765625	264.0
1306.5931396484375	180.0
1564.448974609375	188.0
1582.8529052734375	228.0
1684.7034912109375	212.0
1687.7030029296875	140.0
1746.529541015625	148.0
1756.2581787109375	156.0
1827.1138916015625	172.0
1886.2091064453125	176.0
1918.074462890625	200.0
1955.219970703125	188.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079255
PEPMASS=302.068604
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=27.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Nc1nc(Cl)nc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
INCHI=InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
INCHIAUX=BIXYYZIIJIXVFW-UUOKFMHZSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079255
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079255
SCANS=1018
60.15310287475586	152.0
93.64959716796875	156.0
97.92105865478516	144.0
113.79214477539062	192.0
114.43848419189453	164.0
115.1613998413086	152.0
120.52574157714844	184.0
124.46865844726562	156.0
126.22677612304688	180.0
132.62278747558594	176.0
133.08387756347656	168.0
134.04644775390625	1220.0
139.9975128173828	152.0
144.89784240722656	204.0
146.3099822998047	168.0
148.12353515625	144.0
150.88070678710938	164.0
152.06253051757812	288.0
153.0545196533203	152.0
155.07528686523438	180.0
156.5211181640625	204.0
158.0987548828125	156.0
162.00146484375	148.0
169.47256469726562	192.0
170.02403259277344	9000.0
170.05679321289062	400.0
170.5911102294922	196.0
171.02403259277344	1024.0
171.9716339111328	216.0
172.0192108154297	2360.0
172.06114196777344	168.0
172.97796630859375	180.0
173.0287322998047	344.0
173.50975036621094	140.0
174.08961486816406	184.0
188.1059112548828	168.0
200.85765075683594	140.0
212.0380096435547	144.0
273.1162414550781	168.0
277.91632080078125	148.0
283.0661926269531	152.0
300.1570129394531	120.0
302.06500244140625	1712.0
303.07501220703125	176.0
303.1361999511719	180.0
304.0596618652344	524.0
304.1523742675781	164.0
305.06201171875	188.0
305.1589050292969	436.0
482.7217712402344	148.0
1317.32421875	200.0
1385.5242919921875	144.0
1701.6253662109375	196.0
1765.154052734375	140.0
1953.979736328125	224.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079256
PEPMASS=412.157074
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=31.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Altanserin [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Fc1ccc(cc1)C(=O)C2CCN(CCn3c(=O)c4ccccc4[nH]c3=S)CC2
INCHI=InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
INCHIAUX=SMYALUSCZJXWHG-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079256
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079256
SCANS=1155
44.98854446411133	164.0
45.029937744140625	148.0
45.15958023071289	160.0
45.917083740234375	140.0
45.93278884887695	168.0
46.088966369628906	184.0
46.221038818359375	144.0
46.2873649597168	148.0
46.426944732666016	164.0
46.466278076171875	144.0
46.58031463623047	164.0
46.7938232421875	152.0
46.840126037597656	144.0
46.852386474609375	240.0
47.058414459228516	184.0
47.08700180053711	188.0
47.144378662109375	144.0
47.37287521362305	168.0
47.600547790527344	168.0
47.87007141113281	184.0
47.97203063964844	152.0
48.19284439086914	144.0
48.390628814697266	284.0
48.604705810546875	160.0
48.861122131347656	224.0
48.88755798339844	156.0
49.017066955566406	204.0
49.10179138183594	144.0
49.19838333129883	140.0
49.33668518066406	168.0
49.449222564697266	136.0
49.5087890625	144.0
49.58163833618164	144.0
49.88481521606445	188.0
50.05786895751953	164.0
50.24248123168945	108.0
50.25944137573242	192.0
50.3978157043457	188.0
50.477752685546875	152.0
50.67654800415039	192.0
50.69071960449219	140.0
51.16590881347656	180.0
51.474517822265625	180.0
51.876556396484375	140.0
51.9611701965332	148.0
52.180908203125	160.0
52.43425369262695	156.0
52.45875930786133	164.0
52.477500915527344	192.0
52.49191665649414	180.0
52.565486907958984	144.0
53.01087188720703	176.0
53.449405670166016	152.0
53.691226959228516	168.0
53.72185516357422	164.0
53.918975830078125	148.0
54.112060546875	220.0
54.1515998840332	168.0
54.23804473876953	140.0
54.25416946411133	156.0
54.28055953979492	152.0
54.30695724487305	224.0
54.51396179199219	200.0
54.65875244140625	164.0
55.05903625488281	192.0
55.22574234008789	136.0
55.243797302246094	200.0
55.2659912109375	140.0
55.374053955078125	148.0
55.46295166015625	160.0
55.87726974487305	180.0
56.066375732421875	292.0
56.16408920288086	144.0
56.17728042602539	156.0
56.237892150878906	172.0
56.397708892822266	188.0
56.51884460449219	144.0
56.66407775878906	224.0
56.822998046875	160.0
56.907447814941406	164.0
57.221275329589844	188.0
57.280006408691406	180.0
57.352333068847656	152.0
57.602012634277344	128.0
57.75851058959961	160.0
57.77363586425781	188.0
57.88967514038086	180.0
58.10238265991211	164.0
58.21542739868164	180.0
58.47923278808594	144.0
58.6239128112793	192.0
58.806922912597656	144.0
58.86493682861328	156.0
59.06208801269531	176.0
59.09421157836914	144.0
59.10951614379883	144.0
60.06975555419922	192.0
60.47459030151367	200.0
60.50131607055664	180.0
60.91604995727539	204.0
61.07816696166992	180.0
61.14196014404297	164.0
61.4458122253418	312.0
61.687870025634766	152.0
61.74885177612305	176.0
61.771522521972656	160.0
61.80829620361328	184.0
61.82863998413086	140.0
62.13105392456055	156.0
62.20166778564453	160.0
62.24827575683594	180.0
62.267616271972656	204.0
62.456546783447266	156.0
62.619911193847656	184.0
62.64353942871094	220.0
62.75070571899414	140.0
62.78593063354492	176.0
63.12649917602539	176.0
63.84718704223633	168.0
64.05815887451172	164.0
64.08842468261719	228.0
64.18565368652344	156.0
64.4729995727539	140.0
64.4905776977539	180.0
64.76160430908203	164.0
64.96454620361328	144.0
65.0335464477539	212.0
65.39309692382812	176.0
65.41771697998047	180.0
65.96133422851562	160.0
66.14250183105469	144.0
66.4705581665039	192.0
66.56402587890625	160.0
66.73951721191406	220.0
66.75577545166016	152.0
67.06673431396484	160.0
67.22003173828125	140.0
67.51407623291016	144.0
67.53206634521484	172.0
67.65806579589844	164.0
67.66952514648438	164.0
67.71865844726562	176.0
67.76435852050781	160.0
68.28324127197266	200.0
68.40006256103516	216.0
68.6406021118164	176.0
68.69172668457031	188.0
68.78270721435547	180.0
68.86669158935547	156.0
68.91625213623047	152.0
68.98896789550781	156.0
69.08157348632812	148.0
69.26531982421875	152.0
69.29086303710938	152.0
69.37136840820312	240.0
69.60862731933594	168.0
69.6833724975586	160.0
69.71826171875	140.0
69.75316619873047	140.0
69.78308868408203	184.0
69.8063735961914	204.0
69.95944213867188	176.0
70.52324676513672	144.0
70.68714141845703	184.0
70.89813995361328	164.0
71.26898956298828	148.0
71.2958755493164	156.0
71.41355895996094	176.0
71.53302764892578	160.0
71.71662902832031	172.0
71.76889038085938	160.0
71.87498474121094	124.0
72.0287857055664	184.0
72.24346160888672	164.0
72.2624740600586	152.0
72.32976531982422	172.0
72.72809600830078	224.0
73.08496856689453	208.0
73.10879516601562	168.0
73.2109375	176.0
73.90225982666016	188.0
74.1360092163086	204.0
74.18484497070312	224.0
74.23628234863281	152.0
74.25171661376953	192.0
74.27577209472656	144.0
74.30730438232422	232.0
74.52293395996094	164.0
74.60370635986328	152.0
74.6759262084961	192.0
74.69638061523438	144.0
74.9671630859375	216.0
74.98066711425781	212.0
75.1858901977539	152.0
75.22190856933594	152.0
75.75647735595703	168.0
75.85871887207031	156.0
76.09812927246094	156.0
76.11201477050781	144.0
76.16759490966797	172.0
76.2735824584961	148.0
76.33379364013672	152.0
76.39009094238281	152.0
76.48405456542969	152.0
76.63904571533203	176.0
76.9774398803711	148.0
77.12244415283203	188.0
77.26019287109375	140.0
77.53094482421875	148.0
77.61262512207031	160.0
77.7880630493164	236.0
77.81615447998047	176.0
77.95140075683594	148.0
78.04983520507812	144.0
78.06390380859375	144.0
78.31381225585938	196.0
78.3314208984375	292.0
78.37625885009766	132.0
78.4930648803711	200.0
78.88374328613281	180.0
78.97039031982422	180.0
79.00796508789062	148.0
79.07300567626953	140.0
79.3670654296875	148.0
79.63681030273438	140.0
79.673095703125	252.0
79.8232421875	124.0
79.85364532470703	160.0
79.93370056152344	164.0
80.00845336914062	228.0
80.04762268066406	156.0
80.38274383544922	212.0
80.46306610107422	228.0
80.48270416259766	248.0
80.50592041015625	144.0
80.61310577392578	156.0
80.67806243896484	140.0
80.72393035888672	156.0
80.76685333251953	144.0
80.87242126464844	160.0
80.96015167236328	160.0
81.0353775024414	172.0
81.09451293945312	304.0
81.14021301269531	148.0
81.23796081542969	204.0
81.4839096069336	148.0
81.55399322509766	160.0
81.65335083007812	152.0
81.850830078125	184.0
82.06340789794922	192.0
82.08147430419922	144.0
82.72880554199219	140.0
82.75363159179688	176.0
82.77536010742188	156.0
82.89491271972656	156.0
82.93840789794922	220.0
83.10706329345703	216.0
83.43281555175781	144.0
83.49761962890625	144.0
83.57038116455078	148.0
83.94378662109375	160.0
84.10980987548828	152.0
84.19927215576172	140.0
84.31254577636719	204.0
84.3947982788086	156.0
84.67124938964844	172.0
84.90753173828125	196.0
84.95155334472656	164.0
85.05064392089844	192.0
85.0947036743164	156.0
85.62269592285156	136.0
85.76431274414062	184.0
85.84613800048828	156.0
86.011474609375	148.0
86.02501678466797	196.0
86.12779998779297	168.0
86.22686767578125	180.0
86.51797485351562	152.0
86.73016357421875	168.0
86.76993560791016	152.0
86.97027587890625	144.0
87.19873046875	192.0
87.35491180419922	148.0
87.5118637084961	120.0
87.60436248779297	152.0
87.64348602294922	164.0
87.7720947265625	140.0
87.89672088623047	148.0
87.94559478759766	176.0
88.15850067138672	180.0
88.30619049072266	140.0
88.48770904541016	192.0
88.59632873535156	204.0
88.81939697265625	164.0
88.84429931640625	148.0
89.24382019042969	224.0
89.32845306396484	196.0
89.52037811279297	172.0
90.0352554321289	164.0
90.39453125	224.0
90.70882415771484	220.0
90.821533203125	208.0
90.9933853149414	144.0
91.02755737304688	152.0
91.07693481445312	140.0
91.09593200683594	212.0
91.11872863769531	192.0
91.15941619873047	116.0
91.32783508300781	164.0
91.4039306640625	212.0
91.45340728759766	196.0
91.54859924316406	148.0
91.70672607421875	232.0
91.95150756835938	164.0
91.99284362792969	140.0
92.52037811279297	164.0
92.92549896240234	144.0
92.96514892578125	152.0
93.15330505371094	152.0
93.17827606201172	144.0
93.41281127929688	152.0
93.48014831542969	148.0
93.56655883789062	148.0
93.6583251953125	176.0
93.70542907714844	156.0
94.41963958740234	160.0
94.53765106201172	160.0
94.55506896972656	176.0
94.82039642333984	144.0
94.83589935302734	152.0
95.0686264038086	152.0
95.2394790649414	164.0
95.3307876586914	160.0
95.51434326171875	100.0
95.53883361816406	188.0
95.66143035888672	192.0
95.76978302001953	124.0
95.81916809082031	172.0
95.86788177490234	196.0
95.90638732910156	188.0
95.96534729003906	212.0
96.19390106201172	260.0
96.24630737304688	168.0
96.30489349365234	224.0
96.43509674072266	132.0
96.60005187988281	140.0
96.73115539550781	196.0
96.92896270751953	216.0
97.46278381347656	148.0
97.48625946044922	140.0
97.67831420898438	164.0
97.71827697753906	192.0
97.82652282714844	208.0
97.97815704345703	140.0
98.08062744140625	180.0
98.10231018066406	148.0
98.31729888916016	168.0
98.34098052978516	180.0
98.4969711303711	200.0
98.51277160644531	236.0
98.69657135009766	144.0
98.72227478027344	172.0
99.03695678710938	168.0
99.08053588867188	200.0
99.36205291748047	268.0
99.59828186035156	168.0
99.67973327636719	168.0
99.73140716552734	172.0
99.76050567626953	188.0
100.00902557373047	228.0
100.26878356933594	164.0
100.33057403564453	212.0
100.36163330078125	288.0
100.79361724853516	184.0
100.96753692626953	192.0
101.4019775390625	180.0
101.46411895751953	188.0
101.74163818359375	132.0
101.97598266601562	148.0
102.02623748779297	140.0
102.1167221069336	176.0
102.30587005615234	144.0
102.59797668457031	148.0
102.73107147216797	156.0
102.76620483398438	148.0
102.92078399658203	160.0
102.97531127929688	156.0
103.18950653076172	184.0
103.21983337402344	172.0
103.25442504882812	152.0
103.27241516113281	160.0
103.3027572631836	148.0
103.45858001708984	200.0
103.59223175048828	220.0
104.12445831298828	128.0
104.5429458618164	96.0
104.77863311767578	160.0
104.79696655273438	172.0
105.12525177001953	168.0
105.2640609741211	144.0
105.57058715820312	184.0
105.66876983642578	184.0
105.8010482788086	176.0
105.96973419189453	172.0
106.04350280761719	172.0
106.14600372314453	164.0
106.25471496582031	188.0
106.32242584228516	184.0
106.43172454833984	148.0
106.55034637451172	152.0
106.61270904541016	160.0
106.70037078857422	156.0
106.78468322753906	160.0
106.99250793457031	240.0
107.05633544921875	208.0
107.07075500488281	160.0
107.1098861694336	184.0
107.20465850830078	164.0
107.27679443359375	160.0
107.34896087646484	160.0
107.54288482666016	156.0
107.65643310546875	144.0
107.91265869140625	172.0
107.97469329833984	148.0
108.01398468017578	164.0
108.20437622070312	160.0
108.29440307617188	144.0
108.40736389160156	156.0
108.51721954345703	160.0
108.81390380859375	172.0
109.04306030273438	612.0
109.08189392089844	152.0
109.1463394165039	140.0
109.30651092529297	240.0
109.52093505859375	220.0
109.685546875	152.0
109.73140716552734	156.0
109.77728271484375	192.0
110.08612823486328	168.0
110.24697875976562	144.0
110.27339935302734	128.0
110.42886352539062	156.0
110.70301818847656	176.0
110.7281494140625	156.0
110.83646392822266	244.0
110.87899017333984	156.0
110.90414428710938	148.0
110.92378234863281	108.0
111.04881286621094	256.0
111.10125732421875	148.0
111.2615966796875	148.0
111.33003997802734	168.0
111.66419219970703	152.0
111.75110626220703	188.0
111.97146606445312	180.0
112.14456939697266	200.0
112.2496337890625	276.0
112.2695083618164	168.0
112.4015121459961	188.0
112.4162826538086	176.0
112.49015045166016	152.0
112.8776626586914	144.0
113.03965759277344	196.0
113.42511749267578	152.0
113.73692321777344	144.0
114.10442352294922	156.0
114.15332794189453	148.0
114.48955535888672	152.0
114.79642486572266	176.0
115.27886962890625	152.0
115.64884948730469	144.0
116.05036163330078	364.0
116.07946014404297	184.0
116.3176040649414	184.0
116.35624694824219	156.0
116.53450775146484	164.0
116.76162719726562	240.0
116.79462432861328	208.0
117.02273559570312	144.0
117.5303955078125	192.0
117.65658569335938	148.0
117.79479217529297	200.0
117.89201354980469	160.0
118.26933288574219	208.0
118.500244140625	168.0
118.69282531738281	148.0
118.9749984741211	140.0
119.21826171875	172.0
119.2834701538086	152.0
119.42479705810547	172.0
119.58145141601562	164.0
119.9037857055664	196.0
120.00623321533203	152.0
120.04541778564453	136.0
120.19818115234375	156.0
120.26583099365234	164.0
120.29631805419922	120.0
120.3218002319336	188.0
120.34878540039062	160.0
120.42740631103516	156.0
120.61750030517578	168.0
120.87337493896484	180.0
120.9828109741211	200.0
121.08943176269531	304.0
121.3849868774414	208.0
121.62454223632812	384.0
122.0971450805664	2348.0
122.37691497802734	152.0
122.61923217773438	156.0
122.6985855102539	144.0
123.02677917480469	560.0
123.05968475341797	292.0
123.10069274902344	360.0
123.13280487060547	168.0
123.34539031982422	176.0
123.6395492553711	204.0
124.0249252319336	272.0
124.0604476928711	288.0
124.11522674560547	284.0
124.3719253540039	204.0
124.54634857177734	148.0
124.57691955566406	152.0
124.65965270996094	216.0
124.86640167236328	172.0
124.88642120361328	140.0
125.00432586669922	140.0
125.05996704101562	192.0
125.18909454345703	228.0
125.32877349853516	192.0
125.72411346435547	152.0
125.7575912475586	200.0
125.7888412475586	148.0
125.90400695800781	124.0
125.96078491210938	180.0
125.99787902832031	152.0
126.3542251586914	176.0
126.63627624511719	164.0
126.7169189453125	176.0
126.82896423339844	172.0
126.93433380126953	156.0
126.97470092773438	144.0
127.14070892333984	152.0
127.16227722167969	200.0
127.20355987548828	196.0
127.26192474365234	172.0
127.46183013916016	156.0
127.6079330444336	188.0
127.69355010986328	160.0
127.71817016601562	172.0
127.9814224243164	160.0
128.0196990966797	156.0
128.3960418701172	188.0
128.53590393066406	152.0
128.61715698242188	144.0
128.65553283691406	220.0
128.68939208984375	168.0
128.9046173095703	184.0
128.97206115722656	128.0
129.0066680908203	164.0
129.10516357421875	152.0
129.29066467285156	152.0
129.34046936035156	216.0
129.60769653320312	140.0
129.6326141357422	176.0
129.87208557128906	268.0
129.95460510253906	168.0
130.0249481201172	152.0
130.04800415039062	152.0
130.15283203125	228.0
130.23382568359375	168.0
130.33729553222656	168.0
130.53836059570312	184.0
130.67710876464844	140.0
130.82958984375	140.0
131.1484832763672	144.0
131.46385192871094	172.0
131.56593322753906	140.0
131.73719787597656	216.0
131.78289794921875	172.0
131.87200927734375	204.0
132.2082061767578	180.0
132.43943786621094	148.0
132.51962280273438	216.0
132.80992126464844	164.0
132.9989013671875	592.0
133.06268310546875	128.0
133.10910034179688	216.0
133.16192626953125	252.0
133.27748107910156	144.0
133.45835876464844	152.0
133.5043487548828	188.0
133.5757293701172	216.0
133.79196166992188	196.0
133.9393310546875	208.0
134.00552368164062	4756.0
134.0371551513672	140.0
134.14212036132812	152.0
134.33811950683594	180.0
134.37965393066406	284.0
134.44886779785156	140.0
134.50425720214844	224.0
134.70285034179688	224.0
134.9293212890625	208.0
134.9524383544922	144.0
135.01182556152344	424.0
135.04493713378906	208.0
135.06210327148438	176.0
135.13284301757812	188.0
135.15597534179688	144.0
135.27122497558594	160.0
135.37356567382812	164.0
135.41757202148438	156.0
135.46157836914062	140.0
135.49400329589844	156.0
135.78143310546875	156.0
135.80990600585938	176.0
135.94537353515625	120.0
136.00531005859375	220.0
136.1102294921875	140.0
136.49435424804688	268.0
136.71534729003906	204.0
136.74673461914062	160.0
137.02699279785156	152.0
137.46913146972656	172.0
137.62277221679688	160.0
137.99984741210938	244.0
138.0660858154297	148.0
138.17367553710938	144.0
138.19239807128906	160.0
138.5974578857422	160.0
139.18826293945312	160.0
139.97157287597656	160.0
140.03750610351562	216.0
140.15057373046875	144.0
140.1670684814453	140.0
140.18592834472656	176.0
140.2189178466797	144.0
140.27784729003906	144.0
140.49951171875	148.0
140.57737731933594	144.0
140.60098266601562	192.0
140.81817626953125	152.0
140.98828125	168.0
141.06964111328125	512.0
141.10409545898438	140.0
141.25071716308594	168.0
141.7052459716797	172.0
141.78817749023438	160.0
142.36465454101562	228.0
142.4359130859375	204.0
142.7496337890625	196.0
142.8804473876953	188.0
142.986572265625	176.0
143.07215881347656	108.0
143.13987731933594	156.0
143.39686584472656	144.0
143.45675659179688	172.0
143.5310821533203	156.0
143.62127685546875	176.0
143.6761474609375	160.0
143.8050079345703	152.0
143.8217010498047	172.0
143.85035705566406	164.0
144.07960510253906	168.0
144.17279052734375	228.0
144.22059631347656	176.0
144.3592529296875	152.0
144.51844787597656	108.0
144.65113830566406	172.0
144.8642578125	144.0
144.91456604003906	152.0
145.00802612304688	144.0
145.04054260253906	1432.0
145.0751495361328	160.0
145.3653564453125	172.0
145.44602966308594	108.0
145.98992919921875	152.0
146.05909729003906	1012.0
146.1171875	188.0
146.17996215820312	168.0
146.32679748535156	200.0
146.74600219726562	188.0
146.78700256347656	172.0
147.0566864013672	1260.0
147.29139709472656	144.0
147.3203887939453	152.0
147.58242797851562	112.0
147.61524963378906	148.0
147.68296813964844	200.0
147.81118774414062	268.0
147.99514770507812	160.0
148.06332397460938	144.0
148.08958435058594	240.0
148.13803100585938	204.0
148.1743621826172	216.0
148.2144317626953	156.0
148.71395874023438	208.0
149.0700225830078	116.0
149.85848999023438	136.0
149.91897583007812	164.0
150.0603485107422	208.0
150.08717346191406	220.0
150.11886596679688	148.0
150.29937744140625	164.0
150.3481903076172	240.0
150.4539794921875	204.0
150.47755432128906	172.0
150.7291259765625	148.0
150.75575256347656	156.0
150.90182495117188	220.0
151.13258361816406	152.0
151.2133331298828	148.0
151.50717163085938	188.0
151.53775024414062	156.0
151.5733184814453	152.0
151.90919494628906	144.0
151.9803466796875	216.0
152.01766967773438	536.0
152.06875610351562	152.0
152.3830108642578	168.0
152.4960479736328	160.0
152.5869903564453	140.0
153.02088928222656	176.0
153.06944274902344	140.0
153.1177520751953	132.0
153.21702575683594	188.0
153.2416534423828	148.0
153.3303680419922	156.0
153.45895385742188	148.0
153.49417114257812	144.0
153.5226593017578	144.0
154.0557861328125	184.0
154.4884033203125	196.0
154.6764678955078	168.0
154.7154541015625	160.0
154.94886779785156	140.0
155.06411743164062	188.0
155.34640502929688	260.0
155.5341033935547	176.0
155.89068603515625	104.0
155.93646240234375	184.0
156.0582733154297	196.0
156.07977294921875	148.0
157.0972900390625	140.0
157.1167449951172	168.0
157.2273712158203	200.0
157.49118041992188	164.0
157.51866149902344	188.0
157.54534912109375	188.0
157.7430419921875	136.0
158.09938049316406	136.0
158.18380737304688	148.0
158.22886657714844	148.0
158.337890625	204.0
158.5219268798828	140.0
158.65476989746094	144.0
158.8102264404297	212.0
159.09378051757812	168.0
159.4124755859375	144.0
159.44793701171875	140.0
159.64906311035156	144.0
160.094482421875	180.0
160.23301696777344	156.0
160.55911254882812	152.0
160.59349060058594	148.0
160.70448303222656	164.0
160.8760986328125	152.0
161.01771545410156	1140.0
161.07582092285156	1664.0
161.30960083007812	112.0
161.49769592285156	176.0
161.59364318847656	120.0
161.8140106201172	148.0
161.89471435546875	152.0
161.94459533691406	120.0
161.96620178222656	200.0
162.00143432617188	123900.0
162.0765838623047	208.0
162.10208129882812	184.0
162.25804138183594	216.0
162.30224609375	132.0
162.36688232421875	200.0
162.5722198486328	128.0
162.88514709472656	336.0
163.00401306152344	11228.0
163.07635498046875	144.0
163.09425354003906	280.0
163.14195251464844	136.0
163.17897033691406	140.0
163.444580078125	112.0
163.68785095214844	144.0
163.87486267089844	152.0
163.99742126464844	3800.0
164.08392333984375	196.0
164.1451873779297	156.0
164.27029418945312	164.0
164.3308563232422	288.0
164.431884765625	292.0
164.47817993164062	164.0
164.51646423339844	176.0
164.5726318359375	196.0
164.81536865234375	128.0
164.85105895996094	348.0
164.87916564941406	156.0
164.99884033203125	480.0
165.2857666015625	184.0
165.3267059326172	140.0
165.4879608154297	352.0
165.5862579345703	188.0
165.6800537109375	140.0
165.84556579589844	236.0
165.9575653076172	252.0
166.02101135253906	168.0
166.09356689453125	156.0
166.71713256835938	188.0
167.0740966796875	172.0
167.09719848632812	200.0
167.15504455566406	164.0
167.3435516357422	144.0
167.36744689941406	168.0
167.68429565429688	144.0
167.8080291748047	204.0
167.8824920654297	132.0
168.00144958496094	176.0
168.48504638671875	160.0
168.51519775390625	176.0
168.71420288085938	204.0
168.76849365234375	144.0
169.01939392089844	188.0
169.63189697265625	104.0
169.92105102539062	156.0
170.06117248535156	168.0
170.43215942382812	200.0
170.57286071777344	152.0
170.63525390625	220.0
170.78347778320312	196.0
171.05503845214844	1044.0
171.1009521484375	176.0
171.14720153808594	136.0
171.17384338378906	148.0
171.3848419189453	200.0
171.50587463378906	116.0
171.59446716308594	112.0
171.86129760742188	184.0
172.0593719482422	140.0
172.09689331054688	172.0
172.12039184570312	144.0
172.46910095214844	96.0
172.61256408691406	204.0
172.90724182128906	144.0
173.05050659179688	192.0
173.0758514404297	736.0
173.242919921875	140.0
173.53765869140625	120.0
173.65338134765625	156.0
173.8599853515625	124.0
174.0186767578125	220.0
174.0810089111328	236.0
174.26535034179688	152.0
174.55995178222656	212.0
174.68881225585938	176.0
174.74932861328125	140.0
174.96250915527344	148.0
175.08018493652344	196.0
175.62002563476562	148.0
175.76637268066406	192.0
175.9458465576172	160.0
176.08193969726562	156.0
176.18309020996094	168.0
176.38327026367188	160.0
176.4583740234375	220.0
176.4927520751953	180.0
176.52432250976562	136.0
176.9993438720703	192.0
177.0688934326172	132.0
177.37698364257812	180.0
177.42735290527344	172.0
177.6474609375	204.0
178.6941680908203	152.0
178.77133178710938	144.0
178.90623474121094	164.0
178.93637084960938	256.0
179.0844268798828	180.0
179.13076782226562	236.0
179.41868591308594	100.0
179.48255920410156	224.0
179.8400421142578	172.0
179.9521484375	208.0
180.00979614257812	236.0
180.0874481201172	336.0
180.21923828125	156.0
180.2593231201172	160.0
180.475830078125	176.0
180.5574493408203	160.0
180.61489868164062	152.0
180.70050048828125	152.0
180.76983642578125	136.0
180.855712890625	168.0
181.010986328125	160.0
181.0792999267578	168.0
181.6354217529297	140.0
181.85707092285156	192.0
181.88037109375	140.0
181.96395874023438	132.0
182.0460662841797	192.0
182.12652587890625	204.0
182.51092529296875	176.0
182.96292114257812	268.0
183.0302276611328	152.0
183.31576538085938	172.0
183.3799285888672	168.0
183.54757690429688	224.0
183.63926696777344	204.0
183.6780242919922	164.0
184.0787353515625	252.0
184.3141632080078	168.0
184.57635498046875	156.0
184.65748596191406	168.0
184.6845245361328	160.0
184.73593139648438	144.0
184.87855529785156	156.0
184.9307403564453	172.0
185.2477569580078	156.0
185.26922607421875	140.0
186.1181182861328	188.0
186.15614318847656	192.0
186.3326873779297	160.0
186.65341186523438	164.0
186.81387329101562	180.0
186.9091033935547	156.0
187.03248596191406	504.0
187.096435546875	312.0
187.20974731445312	152.0
187.28750610351562	156.0
187.47396850585938	180.0
187.52455139160156	172.0
187.8993377685547	252.0
188.04026794433594	128.0
188.0875701904297	520.0
188.21200561523438	160.0
188.5917205810547	236.0
188.74481201171875	152.0
188.97731018066406	184.0
189.01486206054688	212.0
189.08387756347656	160.0
189.30577087402344	192.0
189.50003051757812	148.0
189.68934631347656	144.0
189.9204864501953	148.0
189.94984436035156	168.0
190.1033477783203	6656.0
190.1564178466797	180.0
190.3230743408203	164.0
190.485107421875	176.0
190.7186737060547	216.0
190.95135498046875	184.0
191.08914184570312	1360.0
191.18896484375	212.0
191.39817810058594	172.0
191.58926391601562	176.0
191.7642364501953	132.0
191.89413452148438	332.0
191.98788452148438	140.0
192.08969116210938	272.0
192.2168426513672	140.0
192.96536254882812	220.0
193.02066040039062	152.0
193.1586456298828	188.0
193.4993133544922	148.0
193.52423095703125	144.0
193.88987731933594	180.0
194.1116485595703	176.0
194.17266845703125	160.0
194.22813415527344	200.0
194.36962890625	180.0
194.64720153808594	152.0
194.6860809326172	168.0
194.97109985351562	180.0
195.0409698486328	212.0
195.86253356933594	168.0
196.1049346923828	208.0
196.1512908935547	184.0
196.39657592773438	140.0
196.44232177734375	160.0
196.7827911376953	156.0
196.97828674316406	156.0
197.09970092773438	192.0
197.32481384277344	200.0
197.52601623535156	152.0
197.7332000732422	196.0
198.0944061279297	240.0
198.1448211669922	172.0
198.19525146484375	236.0
198.2512969970703	240.0
198.38023376464844	180.0
198.56529235839844	144.0
198.748291015625	184.0
198.92724609375	208.0
199.33448791503906	152.0
199.35696411132812	172.0
199.94190979003906	180.0
200.1079864501953	172.0
200.1671142578125	140.0
200.93142700195312	184.0
201.06072998046875	140.0
201.44471740722656	172.0
201.59408569335938	168.0
201.8760986328125	172.0
201.99594116210938	176.0
202.06100463867188	156.0
202.0902862548828	264.0
202.20130920410156	228.0
202.2562713623047	212.0
202.2760772705078	196.0
202.51959228515625	192.0
202.57684326171875	192.0
202.6045684814453	152.0
202.87057495117188	184.0
202.95033264160156	156.0
202.98435974121094	124.0
203.00823974609375	152.0
203.486572265625	216.0
203.54904174804688	164.0
203.70677185058594	156.0
203.77342224121094	176.0
203.81906127929688	128.0
203.89276123046875	144.0
203.97706604003906	140.0
204.02781677246094	196.0
204.1571502685547	176.0
204.2140350341797	232.0
204.24794006347656	156.0
204.3782958984375	108.0
204.4355010986328	180.0
204.45706176757812	216.0
204.49420166015625	224.0
204.53567504882812	160.0
204.5683135986328	128.0
204.6265869140625	204.0
204.6497039794922	300.0
204.7007598876953	296.0
204.7345733642578	164.0
204.7575225830078	172.0
204.78843688964844	272.0
204.8411102294922	276.0
204.895263671875	428.0
204.9142303466797	180.0
204.94639587402344	412.0
205.0051727294922	712.0
205.0455780029297	396280.0
205.12167358398438	164.0
205.15476989746094	156.0
205.24339294433594	308.0
205.2667694091797	372.0
205.30186462402344	488.0
205.32858276367188	376.0
205.3909912109375	300.0
205.44361877441406	192.0
205.51278686523438	13100.0
205.55770874023438	212.0
205.62416076660156	188.0
205.63356018066406	228.0
205.69979858398438	224.0
205.73411560058594	340.0
205.77561950683594	148.0
205.8106231689453	108.0
205.8331756591797	176.0
205.85330200195312	184.0
205.8766632080078	220.0
205.9261474609375	140.0
205.97586059570312	200.0
206.0028839111328	536.0
206.04684448242188	109848.0
206.09426879882812	928.0
206.1565704345703	264.0
206.1838836669922	224.0
206.21878051757812	140.0
206.26165771484375	108.0
206.2919158935547	216.0
206.32908630371094	200.0
206.3644256591797	140.0
206.38671875	164.0
206.41802978515625	200.0
206.55152893066406	196.0
206.606201171875	160.0
206.62826538085938	108.0
206.71585083007812	116.0
206.74395751953125	100.0
206.77574157714844	100.0
206.81787109375	176.0
206.84555053710938	376.0
206.89588928222656	112.0
206.93777465820312	260.0
206.97731018066406	244.0
206.99758911132812	148.0
207.0407257080078	25960.0
207.107666015625	204.0
207.14633178710938	200.0
207.19456481933594	224.0
207.21685791015625	176.0
207.24102783203125	352.0
207.27670288085938	168.0
207.33016967773438	148.0
207.35940551757812	228.0
207.41363525390625	356.0
207.4454345703125	300.0
207.48208618164062	236.0
207.5087127685547	280.0
207.55215454101562	268.0
207.59474182128906	248.0
207.6237335205078	280.0
207.67723083496094	96.0
207.74815368652344	228.0
207.8563232421875	168.0
207.88572692871094	96.0
207.91287231445312	176.0
207.98648071289062	148.0
208.04122924804688	1852.0
208.11451721191406	114260.0
208.18031311035156	120.0
208.25083923339844	128.0
208.31541442871094	240.0
208.3612060546875	236.0
208.414794921875	196.0
208.4443359375	252.0
208.52523803710938	152.0
208.58782958984375	200.0
208.62815856933594	124.0
208.66244506835938	104.0
208.7254638671875	112.0
208.78256225585938	124.0
208.82640075683594	152.0
208.85020446777344	176.0
208.97230529785156	192.0
209.03958129882812	108.0
209.0760955810547	124.0
209.11727905273438	14084.0
209.33143615722656	192.0
209.37759399414062	128.0
209.50906372070312	236.0
209.57666015625	124.0
209.6119842529297	140.0
209.76101684570312	164.0
209.86241149902344	100.0
209.951171875	132.0
209.99574279785156	120.0
210.11898803710938	832.0
210.17662048339844	96.0
210.24118041992188	112.0
210.3871307373047	144.0
210.4677734375	128.0
210.51409912109375	112.0
210.5936737060547	152.0
210.674072265625	220.0
210.82350158691406	132.0
210.955078125	100.0
211.1227264404297	116.0
211.32115173339844	156.0
211.43588256835938	108.0
212.40037536621094	116.0
213.10211181640625	160.0
213.3760986328125	192.0
213.8124237060547	156.0
214.08433532714844	252.0
214.23452758789062	272.0
214.4688262939453	112.0
214.6134796142578	208.0
214.8088836669922	224.0
214.8426971435547	120.0
214.90374755859375	100.0
215.08590698242188	164.0
215.62759399414062	100.0
215.8719940185547	168.0
216.28158569335938	140.0
216.8773956298828	96.0
216.90744018554688	176.0
217.25405883789062	124.0
217.44515991210938	168.0
218.210693359375	132.0
218.83937072753906	96.0
219.2626953125	140.0
219.5818328857422	96.0
219.91152954101562	148.0
221.59521484375	208.0
221.6474609375	164.0
222.15443420410156	156.0
222.42974853515625	168.0
225.08303833007812	152.0
226.08445739746094	244.0
226.77926635742188	200.0
227.10105895996094	220.0
227.14508056640625	232.0
227.64060974121094	180.0
227.8084716796875	144.0
229.13214111328125	156.0
230.81027221679688	140.0
231.2471466064453	160.0
231.89100646972656	180.0
232.3579864501953	196.0
233.8756866455078	144.0
234.12855529785156	940.0
235.13035583496094	188.0
235.73468017578125	148.0
236.4319305419922	228.0
236.9769744873047	172.0
237.75889587402344	208.0
238.0784912109375	152.0
238.1365203857422	156.0
240.10479736328125	124.0
240.26663208007812	172.0
241.1265411376953	152.0
243.40814208984375	148.0
243.63287353515625	124.0
244.03578186035156	148.0
244.56150817871094	148.0
245.64585876464844	180.0
245.78001403808594	168.0
248.10694885253906	164.0
248.69981384277344	200.0
248.74061584472656	152.0
248.93212890625	156.0
254.11183166503906	188.0
254.6197052001953	144.0
255.12371826171875	124.0
255.36434936523438	160.0
255.63699340820312	152.0
256.1468505859375	140.0
257.7391052246094	104.0
257.8118591308594	148.0
258.0931396484375	144.0
258.5793762207031	180.0
258.7138366699219	172.0
259.43780517578125	208.0
260.207763671875	172.0
260.2816162109375	168.0
260.56103515625	172.0
261.3970031738281	140.0
262.6373596191406	184.0
262.7276611328125	168.0
264.1405944824219	164.0
264.4434814453125	228.0
266.3272399902344	144.0
266.4766845703125	152.0
266.64727783203125	164.0
266.98699951171875	140.0
268.08734130859375	148.0
268.6058349609375	124.0
272.1368408203125	240.0
272.1631164550781	156.0
272.1992492675781	212.0
273.10955810546875	180.0
274.1565246582031	180.0
274.6203308105469	280.0
275.1328430175781	140.0
276.134033203125	152.0
277.866455078125	196.0
278.1090087890625	136.0
278.1385803222656	156.0
278.4326171875	128.0
280.6260986328125	208.0
282.9566345214844	168.0
283.044677734375	308.0
283.3809509277344	144.0
284.1136169433594	180.0
288.59112548828125	168.0
288.9767150878906	160.0
289.1256103515625	144.0
289.16619873046875	280.0
290.18243408203125	168.0
291.1490173339844	116.0
291.8359069824219	140.0
292.40057373046875	160.0
292.4346008300781	148.0
293.1531982421875	200.0
293.93408203125	148.0
293.97503662109375	164.0
294.15380859375	156.0
295.15008544921875	140.0
295.6734619140625	180.0
296.1177978515625	168.0
297.8746643066406	216.0
298.14239501953125	148.0
299.1504211425781	144.0
301.1192626953125	184.0
302.177001953125	156.0
303.2435607910156	168.0
303.302490234375	220.0
303.4480895996094	140.0
305.510986328125	152.0
307.89990234375	140.0
308.6673889160156	216.0
308.9261779785156	152.0
309.1398010253906	152.0
310.9865417480469	188.0
311.1712341308594	132.0
311.68890380859375	188.0
312.42236328125	208.0
312.4870300292969	144.0
312.6876220703125	180.0
313.127685546875	140.0
313.3089294433594	140.0
313.7055358886719	172.0
313.7972106933594	160.0
313.83599853515625	144.0
314.0334777832031	188.0
314.8028259277344	176.0
314.8541259765625	152.0
316.1637878417969	512.0
316.6701354980469	292.0
317.15643310546875	152.0
317.169677734375	152.0
317.8541564941406	216.0
318.1846618652344	160.0
318.955078125	148.0
319.1501770019531	100.0
319.8016052246094	156.0
320.18255615234375	164.0
320.2787170410156	208.0
320.7582702636719	100.0
322.42657470703125	184.0
322.70538330078125	148.0
323.911376953125	192.0
324.18408203125	164.0
324.34136962890625	188.0
324.7429504394531	152.0
324.95458984375	148.0
325.1751708984375	156.0
326.0426025390625	152.0
326.0677490234375	164.0
326.7293701171875	148.0
327.15887451171875	116.0
328.44671630859375	108.0
329.2994689941406	156.0
330.4439392089844	216.0
332.183837890625	296.0
332.67596435546875	160.0
333.9242248535156	104.0
334.132080078125	96.0
335.0743408203125	152.0
336.7998046875	164.0
337.32598876953125	152.0
338.6468811035156	160.0
338.6871643066406	148.0
338.8630065917969	148.0
339.17333984375	288.0
340.14923095703125	152.0
340.1958923339844	144.0
340.30438232421875	152.0
340.9913024902344	180.0
341.18487548828125	240.0
341.23760986328125	140.0
341.3148193359375	140.0
342.2383728027344	216.0
343.1489562988281	156.0
344.1039733886719	180.0
344.140869140625	276.0
345.14068603515625	188.0
345.6637268066406	196.0
346.1856689453125	176.0
346.326416015625	156.0
346.3560485839844	144.0
346.4655456542969	100.0
346.6556701660156	164.0
346.7598876953125	160.0
346.9748840332031	188.0
347.158203125	164.0
347.48297119140625	144.0
347.6671447753906	276.0
347.9988708496094	144.0
348.5968933105469	252.0
349.8242492675781	168.0
350.6734924316406	316.0
351.16796875	160.0
351.41900634765625	100.0
351.87835693359375	140.0
352.4498291015625	168.0
352.6932067871094	160.0
353.1186828613281	152.0
353.1981506347656	308.0
353.6864013671875	164.0
354.069580078125	352.0
354.1322021484375	116.0
355.13397216796875	168.0
355.2740173339844	180.0
356.1623840332031	144.0
356.4591979980469	176.0
356.7147521972656	144.0
357.1624755859375	272.0
357.3164367675781	212.0
357.3973693847656	180.0
358.1822814941406	164.0
358.5401916503906	172.0
360.268310546875	144.0
361.1717529296875	152.0
362.03466796875	152.0
362.6597595214844	152.0
362.815185546875	140.0
362.8720397949219	160.0
365.18463134765625	168.0
367.11932373046875	164.0
367.6648254394531	148.0
368.6844787597656	160.0
369.29486083984375	144.0
370.08831787109375	160.0
370.953125	192.0
370.9809875488281	168.0
371.1075134277344	188.0
373.1846618652344	172.0
373.4499816894531	196.0
374.1387634277344	180.0
374.16571044921875	224.0
374.2542724609375	172.0
374.4583740234375	172.0
374.6625061035156	144.0
375.11724853515625	140.0
375.5876770019531	188.0
375.6879577636719	168.0
376.645263671875	140.0
376.7558288574219	124.0
377.8436279296875	196.0
380.7926330566406	168.0
381.1686096191406	160.0
381.78448486328125	160.0
381.9327392578125	168.0
382.1151123046875	140.0
382.1876220703125	348.0
382.6868591308594	172.0
383.19427490234375	532.0
383.68072509765625	160.0
383.7095642089844	132.0
384.19854736328125	148.0
384.4374084472656	140.0
385.0299072265625	160.0
386.38323974609375	188.0
386.7717590332031	124.0
387.0955810546875	172.0
387.75372314453125	172.0
388.1849365234375	140.0
388.2437744140625	172.0
389.67352294921875	156.0
390.163818359375	140.0
390.21575927734375	220.0
390.38006591796875	160.0
390.71044921875	144.0
391.7242431640625	136.0
392.1319274902344	148.0
393.34283447265625	176.0
393.40203857421875	176.0
393.5086364746094	140.0
395.1588134765625	128.0
395.7781066894531	164.0
396.6457214355469	168.0
397.2048034667969	184.0
398.1732482910156	192.0
398.8488464355469	100.0
398.8924255371094	152.0
399.2144470214844	168.0
399.5485534667969	152.0
399.67987060546875	156.0
401.94879150390625	220.0
402.43804931640625	140.0
402.781494140625	180.0
404.2041320800781	788.0
404.7041015625	700.0
405.00811767578125	220.0
405.11529541015625	148.0
405.20318603515625	268.0
405.4403991699219	112.0
405.6097717285156	96.0
406.68408203125	180.0
407.0040283203125	140.0
407.0426940917969	236.0
407.311767578125	204.0
407.8260803222656	164.0
408.2643127441406	208.0
408.4681701660156	132.0
408.5685729980469	108.0
408.6037902832031	104.0
408.88800048828125	140.0
408.9925231933594	140.0
409.3197021484375	120.0
409.36932373046875	108.0
409.62017822265625	312.0
409.6559753417969	156.0
409.7032470703125	184.0
409.7691650390625	176.0
409.9101867675781	112.0
409.94964599609375	144.0
410.0254211425781	96.0
410.11480712890625	148.0
410.19854736328125	312.0
410.2580261230469	96.0
410.3616027832031	168.0
410.4172058105469	116.0
410.4755554199219	180.0
410.620361328125	316.0
410.6922912597656	212.0
410.735595703125	200.0
410.7964172363281	212.0
410.8764343261719	152.0
410.9227294921875	324.0
411.0698547363281	308.0
411.104248046875	384.0
411.15191650390625	128.0
411.1971130371094	360.0
411.2528076171875	228.0
411.2863464355469	128.0
411.370849609375	420.0
411.4256286621094	456.0
411.46331787109375	232.0
411.5185852050781	116.0
411.6136169433594	132.0
411.6673889160156	180.0
411.7204284667969	228.0
411.733154296875	316.0
411.74786376953125	340.0
411.7935791015625	196.0
411.8615417480469	228.0
411.9722595214844	452.0
412.050048828125	292.0
412.0810852050781	552.0
412.1517028808594	220724.0
412.2712707519531	136.0
412.3023376464844	196.0
412.37005615234375	144.0
412.4144287109375	200.0
412.51885986328125	376.0
412.555419921875	236.0
412.6080627441406	320.0
412.6579284667969	140.0
412.700439453125	548.0
412.7702331542969	228.0
412.81951904296875	7584.0
412.8592529296875	392.0
412.8860778808594	400.0
412.9444274902344	324.0
412.991455078125	280.0
413.087890625	348.0
413.1541748046875	123728.0
413.2732238769531	304.0
413.3182067871094	140.0
413.3694152832031	120.0
413.4401550292969	148.0
413.488525390625	176.0
413.5299987792969	296.0
413.5830383300781	224.0
413.66998291015625	176.0
413.70819091796875	228.0
413.7637023925781	176.0
413.8182067871094	1080.0
413.9217529296875	176.0
413.96832275390625	220.0
414.068603515625	140.0
414.1499938964844	32644.0
414.232177734375	200.0
414.4398193359375	180.0
414.51629638671875	132.0
414.5475158691406	120.0
414.6633605957031	100.0
414.7347106933594	120.0
414.8169250488281	100.0
414.8801574707031	100.0
414.97747802734375	152.0
415.00848388671875	324.0
415.15081787109375	3896.0
415.24664306640625	280.0
415.2927551269531	300.0
415.4122314453125	108.0
415.4515075683594	300.0
415.5393981933594	104.0
415.6207580566406	204.0
415.7223815917969	404.0
415.7933654785156	492.0
415.8211975097656	348.0
415.9071960449219	404.0
415.9403076171875	212.0
416.0696716308594	192.0
416.14227294921875	316.0
416.3514099121094	232.0
416.5135498046875	200.0
416.6399230957031	132.0
416.7477111816406	272.0
416.8110656738281	404.0
416.9257507324219	280.0
416.9922790527344	172.0
417.2554931640625	160.0
417.3006591796875	104.0
417.49041748046875	100.0
417.55462646484375	172.0
417.625732421875	100.0
417.74871826171875	100.0
417.83807373046875	104.0
418.21575927734375	128.0
418.27142333984375	112.0
418.2994689941406	192.0
418.55804443359375	152.0
419.2088623046875	172.0
420.1700744628906	200.0
426.2132873535156	180.0
426.6040954589844	116.0
426.9873046875	104.0
427.2003479003906	220.0
429.22100830078125	140.0
430.6430969238281	120.0
433.7355651855469	144.0
437.1785888671875	144.0
439.5287780761719	144.0
440.2008361816406	148.0
442.20635986328125	240.0
442.94439697265625	144.0
443.2167053222656	272.0
448.20428466796875	200.0
452.22882080078125	140.0
453.1900939941406	152.0
457.2411804199219	208.0
458.1736755371094	160.0
461.1367492675781	112.0
471.7001647949219	200.0
478.20635986328125	148.0
481.25347900390625	140.0
483.48419189453125	128.0
486.2148742675781	156.0
489.5849609375	140.0
498.2355651855469	132.0
501.2286682128906	120.0
502.25189208984375	152.0
503.2350769042969	212.0
504.2534484863281	136.0
510.2857360839844	168.0
511.2213134765625	172.0
511.2654724121094	156.0
513.2123413085938	252.0
514.2272338867188	232.0
522.2467651367188	148.0
541.223388671875	160.0
543.084716796875	148.0
558.2141723632812	136.0
565.215087890625	148.0
571.2291259765625	108.0
573.244873046875	96.0
573.688720703125	136.0
582.2462768554688	148.0
585.3212890625	104.0
586.7789916992188	152.0
587.25537109375	132.0
592.862060546875	108.0
595.1395263671875	176.0
598.3094482421875	152.0
626.3107299804688	164.0
631.341552734375	160.0
633.1318969726562	116.0
644.2869262695312	284.0
645.3013305664062	232.0
652.269287109375	108.0
658.2971801757812	132.0
661.2630615234375	144.0
668.2804565429688	280.0
670.1416625976562	140.0
670.2763671875	224.0
671.2691040039062	116.0
672.2880249023438	748.0
672.390625	96.0
673.2977905273438	360.0
674.2621459960938	108.0
692.2909545898438	144.0
700.2999267578125	216.0
702.3103637695312	244.0
703.2893676757812	156.0
704.3150024414062	276.0
705.2637329101562	256.0
705.3220825195312	300.0
706.3058471679688	124.0
719.3304443359375	148.0
719.9016723632812	148.0
743.3482666015625	152.0
744.301025390625	168.0
755.3644409179688	152.0
805.1519775390625	96.0
845.3700561523438	100.0
901.1409912109375	168.0
1025.218994140625	156.0
1106.2130126953125	144.0
1236.1905517578125	176.0
1272.62646484375	172.0
1373.990966796875	232.0
1377.874267578125	160.0
1379.781005859375	204.0
1451.2340087890625	152.0
1455.0350341796875	180.0
1492.5577392578125	184.0
1497.34423828125	152.0
1498.65380859375	160.0
1504.3531494140625	152.0
1508.1380615234375	152.0
1514.5523681640625	184.0
1535.787353515625	208.0
1551.5047607421875	152.0
1556.76171875	144.0
1577.443603515625	144.0
1586.55517578125	148.0
1597.13232421875	188.0
1601.4781494140625	184.0
1602.218994140625	200.0
1605.3194580078125	164.0
1641.7432861328125	140.0
1646.1170654296875	156.0
1648.5081787109375	148.0
1654.031982421875	148.0
1659.4434814453125	144.0
1664.5958251953125	188.0
1669.479736328125	140.0
1671.7738037109375	148.0
1678.06201171875	148.0
1681.202392578125	140.0
1692.0816650390625	248.0
1697.2926025390625	192.0
1700.3150634765625	164.0
1704.4913330078125	144.0
1705.5596923828125	180.0
1705.995361328125	212.0
1714.3824462890625	140.0
1719.1572265625	148.0
1724.227783203125	156.0
1735.9251708984375	224.0
1739.1524658203125	188.0
1740.8460693359375	152.0
1742.0087890625	172.0
1746.76123046875	100.0
1748.3028564453125	188.0
1751.7913818359375	144.0
1756.3790283203125	204.0
1759.5638427734375	156.0
1761.8604736328125	216.0
1764.902587890625	180.0
1769.8057861328125	160.0
1772.3101806640625	164.0
1779.556884765625	152.0
1786.0697021484375	148.0
1790.328369140625	192.0
1792.55224609375	160.0
1803.46435546875	232.0
1805.882568359375	148.0
1807.4044189453125	120.0
1816.0716552734375	176.0
1822.3760986328125	120.0
1822.9652099609375	184.0
1827.1995849609375	152.0
1828.14404296875	140.0
1828.5355224609375	180.0
1830.8597412109375	300.0
1832.6314697265625	216.0
1842.720947265625	196.0
1848.48779296875	148.0
1853.3941650390625	144.0
1865.52099609375	144.0
1868.9354248046875	148.0
1876.989013671875	228.0
1881.0562744140625	180.0
1881.38916015625	152.0
1883.7034912109375	240.0
1886.34765625	160.0
1887.91259765625	140.0
1893.2000732421875	192.0
1896.74365234375	156.0
1898.01806640625	188.0
1899.492431640625	140.0
1905.2391357421875	152.0
1908.28955078125	196.0
1911.08154296875	160.0
1913.6246337890625	168.0
1916.7412109375	164.0
1916.985107421875	208.0
1923.7532958984375	256.0
1927.386474609375	168.0
1928.0330810546875	144.0
1929.0994873046875	168.0
1933.0789794921875	172.0
1933.9190673828125	168.0
1941.5850830078125	148.0
1941.979736328125	152.0
1942.0675048828125	164.0
1956.5489501953125	148.0
1957.5262451171875	228.0
1957.728759765625	188.0
1959.7547607421875	180.0
1964.5948486328125	172.0
1964.9124755859375	208.0
1965.7947998046875	244.0
1966.9774169921875	180.0
1967.833740234375	196.0
1968.1868896484375	144.0
1968.63720703125	184.0
1969.3084716796875	180.0
1970.0062255859375	168.0
1976.531005859375	164.0
1977.982421875	160.0
1979.3724365234375	204.0
1980.7628173828125	164.0
1981.609130859375	172.0
1983.625	172.0
1984.13916015625	168.0
1989.5418701171875	160.0
1990.4119873046875	168.0
1992.845703125	216.0
1995.44091796875	160.0
1996.8013916015625	200.0
1997.9844970703125	164.0
1999.0877685546875	172.0
2000.5830078125	172.0
2001.6781005859375	148.0
2002.1412353515625	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079257
PEPMASS=361.143158
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(Z)-methyl 5-(ethoxy(hydroxy)methylene)-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydropyridine-3-carboxylate" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCO/C(=C\1/C(C(=C(C)N=C1C)C(=O)OC)c2cccc(c2)[N+](=O)[O-])/O
INCHI=InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,22H,5H2,1-4H3/b18-15+
INCHIAUX=OYFHPBSUARUOQE-OBGWFSINSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079257
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079257
SCANS=1839
45.80521774291992	152.0
47.94722366333008	160.0
48.253665924072266	148.0
48.541664123535156	144.0
49.07282257080078	172.0
51.82496643066406	168.0
56.70753860473633	144.0
58.17826843261719	140.0
63.5637092590332	160.0
65.22148132324219	140.0
66.09881591796875	248.0
69.33822631835938	140.0
72.23839569091797	160.0
72.56863403320312	208.0
73.40521240234375	268.0
78.67353820800781	196.0
81.9697265625	152.0
84.15911102294922	180.0
84.53382873535156	216.0
86.06132507324219	152.0
88.12300872802734	156.0
96.96228790283203	140.0
97.23686218261719	148.0
99.0488510131836	348.0
99.88651275634766	144.0
100.42430877685547	164.0
107.10371398925781	172.0
108.07398986816406	148.0
108.44882202148438	160.0
109.78563690185547	168.0
111.65158081054688	148.0
112.94446563720703	172.0
113.04178619384766	172.0
113.52901458740234	160.0
118.03813934326172	256.0
119.0510025024414	144.0
120.28423309326172	188.0
122.26246643066406	212.0
122.42536926269531	180.0
122.76473999023438	168.0
128.06260681152344	180.0
128.42086791992188	256.0
130.06581115722656	172.0
132.08238220214844	184.0
132.35243225097656	156.0
134.0609588623047	256.0
134.1813201904297	188.0
136.34559631347656	192.0
137.7505645751953	164.0
139.0524139404297	184.0
140.06317138671875	180.0
141.05210876464844	184.0
141.06854248046875	184.0
143.0375213623047	176.0
143.07579040527344	172.0
143.31614685058594	196.0
144.0772247314453	176.0
145.0891876220703	168.0
145.19264221191406	168.0
145.47816467285156	144.0
146.0404510498047	148.0
147.0354766845703	152.0
147.26966857910156	160.0
148.04116821289062	184.0
149.04054260253906	204.0
149.0624237060547	144.0
149.2204132080078	152.0
150.0175323486328	320.0
150.05694580078125	416.0
150.0749969482422	156.0
151.03472900390625	192.0
151.06590270996094	172.0
151.9435577392578	168.0
153.17515563964844	200.0
154.03851318359375	272.0
154.06910705566406	180.0
154.09286499023438	144.0
155.05047607421875	140.0
155.0678253173828	140.0
155.08517456054688	188.0
155.2686309814453	156.0
156.5933074951172	144.0
157.08932495117188	240.0
158.10008239746094	348.0
159.5711212158203	148.0
160.07183837890625	160.0
160.57080078125	148.0
162.8357391357422	156.0
163.0620574951172	196.0
164.07118225097656	216.0
165.08334350585938	328.0
165.73641967773438	164.0
166.06114196777344	144.0
166.0850830078125	120.0
167.0751953125	524.0
168.08033752441406	1028.0
169.08253479003906	396.0
169.7758026123047	164.0
170.05859375	160.0
170.10572814941406	148.0
171.06585693359375	124.0
171.1028594970703	544.0
171.43174743652344	172.0
172.07254028320312	192.0
172.10513305664062	260.0
173.08279418945312	504.0
174.05282592773438	284.0
174.08433532714844	284.0
176.03311157226562	564.0
176.08316040039062	152.0
177.0431671142578	224.0
178.0562286376953	504.0
179.07049560546875	448.0
180.07888793945312	600.0
181.0895233154297	624.0
182.09414672851562	892.0
182.5136260986328	208.0
183.05270385742188	224.0
183.10443115234375	936.0
184.075439453125	416.0
184.107421875	332.0
184.2493438720703	236.0
185.22047424316406	220.0
186.0548553466797	116.0
186.26206970214844	144.0
187.0669708251953	144.0
187.4101104736328	172.0
187.68812561035156	172.0
188.07199096679688	312.0
188.28302001953125	140.0
189.06629943847656	316.0
189.28114318847656	148.0
189.977294921875	176.0
190.0649871826172	108.0
191.076171875	228.0
191.24403381347656	192.0
192.06341552734375	324.0
192.9239044189453	156.0
193.06028747558594	172.0
194.38906860351562	156.0
195.04449462890625	220.0
195.09573364257812	232.0
195.21408081054688	208.0
195.7957000732422	168.0
196.07948303222656	532.0
196.11260986328125	172.0
196.9224395751953	192.0
197.08164978027344	712.0
197.12637329101562	196.0
198.09471130371094	436.0
198.6971435546875	140.0
199.01991271972656	168.0
199.07083129882812	176.0
199.1023406982422	280.0
199.5649871826172	156.0
200.03143310546875	536.0
200.08328247070312	216.0
201.03494262695312	112.0
201.07350158691406	152.0
201.23858642578125	192.0
202.00994873046875	148.0
202.0880126953125	476.0
203.0325927734375	144.0
203.11483764648438	168.0
205.80133056640625	148.0
205.8384552001953	240.0
207.06739807128906	140.0
208.07505798339844	1240.0
208.7210693359375	180.0
209.08299255371094	2248.0
210.09182739257812	5044.0
211.09532165527344	1432.0
211.95297241210938	96.0
212.07164001464844	776.0
212.10220336914062	672.0
212.13941955566406	344.0
213.0390167236328	152.0
213.07334899902344	312.0
213.10865783691406	160.0
213.59132385253906	184.0
213.73678588867188	164.0
214.05335998535156	216.0
214.0845489501953	408.0
214.8409881591797	196.0
215.05422973632812	152.0
215.0954132080078	356.0
216.0592041015625	172.0
216.10496520996094	168.0
217.06060791015625	1084.0
217.63223266601562	144.0
218.03842163085938	152.0
218.08544921875	148.0
219.0888671875	152.0
221.0684356689453	136.0
222.05638122558594	184.0
222.3888702392578	156.0
222.77191162109375	160.0
223.06312561035156	144.0
224.0385284423828	144.0
224.0675048828125	288.0
224.36997985839844	196.0
225.0813751220703	616.0
225.1221160888672	368.0
226.037353515625	188.0
226.08633422851562	6168.0
226.47967529296875	156.0
226.56353759765625	172.0
227.0876922607422	1684.0
228.06683349609375	392.0
228.0869598388672	264.0
229.0417938232422	152.0
229.08749389648438	280.0
229.113525390625	144.0
229.5089111328125	156.0
230.0640411376953	188.0
230.08517456054688	364.0
230.31768798828125	184.0
231.0836639404297	448.0
232.055908203125	172.0
233.11708068847656	144.0
234.07736206054688	164.0
234.5962677001953	176.0
235.06875610351562	188.0
236.0702362060547	852.0
236.11683654785156	152.0
237.073486328125	464.0
238.07421875	484.0
238.10964965820312	520.0
239.05056762695312	140.0
239.0853729248047	676.0
240.05921936035156	548.0
240.1008758544922	1072.0
240.8006591796875	248.0
241.07118225097656	1532.0
241.10264587402344	324.0
242.03724670410156	176.0
242.0782928466797	1052.0
242.3070831298828	216.0
243.0887908935547	1804.0
243.3274383544922	244.0
244.0637969970703	148.0
244.09388732910156	224.0
244.85731506347656	184.0
244.93206787109375	160.0
246.0578155517578	156.0
247.09228515625	208.0
247.97845458984375	172.0
248.1351776123047	156.0
249.06570434570312	296.0
249.0963592529297	340.0
250.08592224121094	180.0
251.0799560546875	140.0
252.07041931152344	244.0
252.39199829101562	148.0
253.0740966796875	1504.0
254.08119201660156	7484.0
255.08645629882812	4760.0
256.0907287597656	1032.0
256.5383605957031	140.0
257.0910949707031	780.0
257.62335205078125	260.0
258.04193115234375	160.0
258.0722961425781	288.0
259.0720520019531	308.0
260.0793762207031	220.0
260.8052978515625	204.0
261.7060546875	168.0
263.68023681640625	168.0
265.063720703125	264.0
266.01556396484375	252.0
266.0663146972656	348.0
266.3532409667969	144.0
267.0867004394531	1116.0
268.0967712402344	4404.0
268.20318603515625	100.0
268.6167907714844	156.0
269.0671691894531	696.0
269.10565185546875	5792.0
270.0746154785156	1144.0
270.107421875	516.0
270.8055114746094	148.0
271.0675048828125	188.0
271.109375	220.0
271.2839050292969	160.0
271.8492736816406	156.0
272.0482482910156	152.0
272.0850830078125	120.0
273.0877990722656	696.0
275.099853515625	148.0
275.83978271484375	172.0
275.9885559082031	140.0
280.082275390625	136.0
281.0906066894531	672.0
281.8819885253906	176.0
282.11138916015625	484.0
283.00250244140625	192.0
283.0723571777344	3796.0
283.1204833984375	1016.0
284.07861328125	2192.0
284.1178894042969	420.0
285.06414794921875	1652.0
286.0743408203125	248.0
287.0789794921875	2620.0
288.0800476074219	448.0
289.0853576660156	156.0
294.2344665527344	208.0
295.10565185546875	192.0
297.04400634765625	164.0
297.0885009765625	420.0
298.094970703125	2596.0
298.1427001953125	184.0
298.1888732910156	120.0
299.0779724121094	1768.0
300.0814514160156	192.0
300.94317626953125	184.0
301.0865173339844	6176.0
301.1455078125	200.0
301.53387451171875	140.0
302.089111328125	1180.0
303.0874938964844	236.0
303.160400390625	148.0
305.8207092285156	144.0
307.40289306640625	144.0
307.94403076171875	176.0
309.1256408691406	140.0
311.10943603515625	140.0
311.2358093261719	160.0
312.1144714355469	544.0
312.78619384765625	152.0
313.0857238769531	264.0
314.0608825683594	168.0
314.13128662109375	200.0
314.5440979003906	124.0
314.6015930175781	144.0
314.8315734863281	120.0
314.89202880859375	152.0
314.9581298828125	164.0
315.03070068359375	132.0
315.098876953125	73556.0
315.2373352050781	192.0
315.4845275878906	108.0
315.6133728027344	276.0
315.762451171875	112.0
315.8070373535156	140.0
315.83837890625	180.0
315.9070739746094	160.0
316.1016845703125	11200.0
316.17767333984375	216.0
316.55438232421875	152.0
316.73907470703125	112.0
316.76220703125	172.0
317.0162048339844	232.0
317.1035461425781	1352.0
317.7366943359375	104.0
317.8719177246094	144.0
317.98046875	136.0
318.0174255371094	156.0
318.1080627441406	204.0
318.2534484863281	196.0
319.0965881347656	120.0
319.22357177734375	236.0
325.0873718261719	140.0
327.3484802246094	156.0
327.7915344238281	144.0
328.1864318847656	136.0
328.61724853515625	148.0
328.7165832519531	136.0
328.8709411621094	104.0
328.91412353515625	188.0
329.0165710449219	264.0
329.05755615234375	188.0
329.1144104003906	44752.0
329.6033935546875	160.0
329.7848205566406	156.0
330.0137023925781	112.0
330.1158447265625	7740.0
330.19378662109375	168.0
331.1229553222656	692.0
332.10491943359375	212.0
332.2165222167969	124.0
332.3159484863281	124.0
332.3652648925781	100.0
332.4728698730469	96.0
338.7458190917969	144.0
342.8314514160156	184.0
343.13739013671875	204.0
344.1214599609375	176.0
359.1231994628906	776.0
359.1984558105469	132.0
360.1352844238281	248.0
360.2305603027344	204.0
361.1343688964844	780.0
361.2247314453125	160.0
361.2550048828125	140.0
362.1217956542969	160.0
362.1507263183594	136.0
480.6642761230469	164.0
683.432861328125	152.0
959.416259765625	144.0
1325.6370849609375	200.0
1524.117919921875	188.0
1610.1158447265625	200.0
1809.2843017578125	204.0
1835.964599609375	164.0
1963.1220703125	220.0
1981.7552490234375	156.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079258
PEPMASS=611.16748
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=37.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=RUTIN [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
INCHI=InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
INCHIAUX=IKGXIBQEEMLURG-NVPNHPEKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079258
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079258
SCANS=1058
45.54831314086914	220.0
52.0817756652832	160.0
58.36972427368164	212.0
61.79424285888672	160.0
63.66691589355469	160.0
66.60466003417969	140.0
68.02366638183594	160.0
68.46266174316406	196.0
68.54667663574219	172.0
71.70486450195312	144.0
89.98431396484375	216.0
97.1721420288086	180.0
98.03337097167969	180.0
98.54244995117188	156.0
102.19522857666016	144.0
103.04000091552734	164.0
107.45626831054688	176.0
108.7786636352539	216.0
109.02998352050781	160.0
109.08818054199219	208.0
112.05023956298828	160.0
112.76268005371094	172.0
117.8402099609375	148.0
127.03743743896484	324.0
128.0422821044922	172.0
129.05503845214844	964.0
130.05667114257812	348.0
131.06195068359375	180.0
133.44003295898438	160.0
136.9505615234375	168.0
139.05245971679688	168.0
141.54898071289062	204.0
145.05435180664062	588.0
147.06471252441406	1088.0
148.07138061523438	280.0
149.0236053466797	196.0
152.3069305419922	140.0
153.01878356933594	192.0
160.2885284423828	144.0
165.0134735107422	152.0
168.6548309326172	172.0
169.05311584472656	156.0
177.6608123779297	196.0
181.05123901367188	240.0
190.50717163085938	148.0
191.05148315429688	148.0
195.7317352294922	200.0
198.2794189453125	156.0
205.75286865234375	172.0
213.08267211914062	180.0
214.4707489013672	256.0
215.54762268066406	152.0
218.5590057373047	200.0
222.10411071777344	216.0
225.39080810546875	168.0
226.0725860595703	152.0
226.57261657714844	224.0
226.81234741210938	160.0
229.06231689453125	304.0
230.00375366210938	148.0
231.03419494628906	160.0
231.08448791503906	188.0
234.45310974121094	204.0
236.5605926513672	160.0
237.09129333496094	132.0
245.97361755371094	140.0
247.05657958984375	164.0
251.12892150878906	192.0
255.099609375	148.0
256.0925598144531	132.0
257.6106872558594	180.0
258.13482666015625	160.0
270.2818298339844	176.0
270.8743896484375	160.0
273.0917663574219	160.0
275.0504455566406	176.0
284.0616455078125	172.0
285.0364074707031	232.0
285.53277587890625	172.0
285.63031005859375	164.0
287.3045349121094	168.0
297.1710510253906	196.0
300.201416015625	144.0
302.03399658203125	180.0
302.2793273925781	144.0
302.4662170410156	116.0
302.6120300292969	196.0
302.7813720703125	136.0
302.81695556640625	164.0
302.96649169921875	284.0
303.0513610839844	59248.0
303.1623229980469	268.0
303.3117980957031	152.0
303.5159912109375	100.0
303.6429748535156	180.0
303.6897888183594	124.0
303.93829345703125	132.0
303.991455078125	128.0
304.0541076660156	10476.0
304.62933349609375	100.0
304.80474853515625	96.0
305.05804443359375	1484.0
305.765869140625	112.0
306.057373046875	388.0
306.19189453125	108.0
306.2306823730469	136.0
306.5997009277344	108.0
306.8900146484375	108.0
310.1287536621094	232.0
314.2205810546875	144.0
315.8526306152344	180.0
345.0590515136719	168.0
346.0562438964844	144.0
369.0554504394531	176.0
371.1882019042969	148.0
384.1839599609375	160.0
389.0247497558594	144.0
431.01263427734375	152.0
432.13726806640625	156.0
446.95391845703125	208.0
449.1035461425781	440.0
451.14617919921875	156.0
464.74090576171875	152.0
464.9039611816406	228.0
465.1036071777344	7076.0
465.1740417480469	212.0
466.01177978515625	148.0
466.1051940917969	2008.0
467.10906982421875	592.0
609.2339477539062	140.0
611.1570434570312	464.0
612.1633911132812	340.0
613.1676635742188	136.0
613.3334350585938	140.0
615.3416748046875	144.0
1423.7298583984375	200.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079259
PEPMASS=721.330627
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=39.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=RITONAVIR [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)Cc4ccccc4
INCHI=InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
INCHIAUX=NCDNCNXCDXHOMX-XGKFQTDJSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079259
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079259
SCANS=1969
45.16348648071289	172.0
45.18622589111328	176.0
45.33887481689453	160.0
45.87517547607422	148.0
45.966888427734375	204.0
46.229801177978516	168.0
46.63726806640625	208.0
46.754234313964844	140.0
47.03909683227539	144.0
47.23997497558594	140.0
47.3987922668457	204.0
47.67186737060547	200.0
47.744728088378906	176.0
47.88097381591797	140.0
47.912654876708984	152.0
48.419593811035156	184.0
48.50621795654297	160.0
48.69975280761719	220.0
48.73448181152344	216.0
49.53799819946289	136.0
49.845340728759766	188.0
50.04164123535156	264.0
50.05915832519531	176.0
50.14650344848633	140.0
50.279075622558594	156.0
50.672176361083984	148.0
50.69343185424805	232.0
50.849430084228516	188.0
50.88386535644531	184.0
50.9957160949707	204.0
51.071380615234375	208.0
51.139923095703125	144.0
51.351661682128906	172.0
51.665916442871094	164.0
51.89363479614258	156.0
52.26276397705078	176.0
52.42115783691406	144.0
52.54948806762695	208.0
52.72998809814453	164.0
52.81328582763672	144.0
52.94700241088867	156.0
52.95822525024414	176.0
53.071624755859375	144.0
53.08467483520508	164.0
53.37509536743164	160.0
53.52351379394531	168.0
53.55118179321289	160.0
53.754241943359375	196.0
54.2393798828125	164.0
54.383121490478516	196.0
54.45653533935547	196.0
54.65940856933594	144.0
54.79044723510742	144.0
55.41687774658203	200.0
55.48649215698242	128.0
55.51767349243164	152.0
55.95303726196289	160.0
56.163150787353516	160.0
56.55162811279297	176.0
56.617401123046875	176.0
56.63248062133789	160.0
56.71788787841797	208.0
56.755367279052734	184.0
56.846099853515625	180.0
56.95045852661133	148.0
57.566429138183594	148.0
57.640445709228516	144.0
57.906700134277344	144.0
58.267723083496094	164.0
58.29962921142578	168.0
58.44865417480469	144.0
58.5095329284668	156.0
58.5384635925293	176.0
58.86228942871094	100.0
59.211936950683594	172.0
59.30080032348633	168.0
59.52785110473633	196.0
59.729183197021484	188.0
59.83382797241211	140.0
59.94164276123047	208.0
60.56889343261719	144.0
61.08579635620117	144.0
61.193180084228516	224.0
61.54555130004883	144.0
61.7846794128418	144.0
61.913028717041016	140.0
62.067745208740234	180.0
62.140316009521484	184.0
62.166988372802734	216.0
62.522151947021484	172.0
62.81856155395508	128.0
63.06153106689453	144.0
63.09630584716797	204.0
63.121604919433594	188.0
63.19752883911133	152.0
63.522300720214844	220.0
63.54768371582031	212.0
63.61751174926758	168.0
63.655616760253906	160.0
64.01499938964844	252.0
64.05641174316406	200.0
64.08667755126953	140.0
64.20623016357422	164.0
64.35782623291016	188.0
64.42096710205078	240.0
64.50000762939453	140.0
64.53837585449219	212.0
64.5831527709961	180.0
64.63434600830078	144.0
64.69996643066406	156.0
64.9050521850586	164.0
65.02055358886719	180.0
65.20519256591797	136.0
65.33548736572266	140.0
65.35157775878906	168.0
65.42560577392578	156.0
65.55768585205078	184.0
65.8012466430664	192.0
66.2346420288086	208.0
66.26541900634766	216.0
66.29170989990234	176.0
66.44051361083984	152.0
66.63623809814453	108.0
67.10079956054688	192.0
67.23455810546875	200.0
67.5744400024414	164.0
68.0956802368164	164.0
68.1177749633789	216.0
68.57119750976562	152.0
68.63713836669922	148.0
69.07479095458984	200.0
69.2761459350586	176.0
69.55992126464844	224.0
70.14083862304688	220.0
70.39064025878906	160.0
70.41712188720703	164.0
70.5113754272461	156.0
70.63008880615234	148.0
70.67860412597656	248.0
70.89796447753906	96.0
71.04647064208984	288.0
71.66535186767578	172.0
71.8058090209961	244.0
72.05056762695312	148.0
72.16718292236328	144.0
72.407470703125	144.0
72.51081848144531	164.0
72.56433868408203	128.0
72.677001953125	204.0
72.83998107910156	184.0
73.0873794555664	144.0
73.22097778320312	240.0
73.44595336914062	148.0
73.81655883789062	152.0
73.88326263427734	168.0
74.00491333007812	148.0
74.35790252685547	156.0
74.50213623046875	196.0
74.79791259765625	152.0
74.82545471191406	156.0
74.9194564819336	184.0
75.9018783569336	140.0
76.13614654541016	156.0
76.1882553100586	144.0
76.37466430664062	184.0
76.4231948852539	120.0
76.4699478149414	148.0
76.52738952636719	144.0
76.84809112548828	168.0
76.95106506347656	216.0
77.46347045898438	284.0
77.50025939941406	160.0
77.57561492919922	208.0
77.786865234375	136.0
77.85810852050781	140.0
78.1463851928711	140.0
78.2889633178711	152.0
78.5762710571289	204.0
79.32078552246094	200.0
79.3491439819336	148.0
79.65438079833984	220.0
79.8356704711914	184.0
79.94596099853516	332.0
80.24164581298828	156.0
80.34329986572266	212.0
80.35578918457031	144.0
80.3950424194336	164.0
80.4771499633789	216.0
80.70585632324219	140.0
80.96845245361328	152.0
82.13177490234375	140.0
82.1534194946289	160.0
82.41520690917969	144.0
82.7136001586914	216.0
82.8492660522461	96.0
82.94126892089844	116.0
83.10323333740234	160.0
83.22859954833984	116.0
83.27750396728516	160.0
83.33200073242188	140.0
83.40567779541016	156.0
83.4392318725586	148.0
83.46649932861328	204.0
83.51014709472656	148.0
83.58473205566406	176.0
83.68302154541016	168.0
83.80687713623047	236.0
84.16072082519531	180.0
84.21002960205078	152.0
84.2822494506836	232.0
84.72953033447266	192.0
84.79732513427734	228.0
85.00639343261719	200.0
85.18999481201172	152.0
85.3167953491211	224.0
85.44920349121094	184.0
85.51913452148438	156.0
85.58999633789062	216.0
85.86366271972656	200.0
85.96697235107422	220.0
86.06111145019531	164.0
86.14241790771484	144.0
86.70854949951172	248.0
86.78269958496094	204.0
86.84761047363281	204.0
86.87357330322266	164.0
86.90403747558594	248.0
87.06846618652344	208.0
87.20409393310547	212.0
87.38260650634766	184.0
87.56317138671875	180.0
87.5938720703125	116.0
87.81743621826172	188.0
87.93231201171875	144.0
87.98165130615234	180.0
88.51931762695312	184.0
88.57737731933594	224.0
88.6197509765625	188.0
88.65319061279297	156.0
88.74417114257812	152.0
88.75917053222656	172.0
88.9017333984375	168.0
89.54755401611328	136.0
89.85194396972656	172.0
89.88778686523438	220.0
90.21642303466797	188.0
90.24200439453125	204.0
90.35826110839844	156.0
90.80719757080078	232.0
90.83564758300781	228.0
90.87548828125	204.0
91.05414581298828	136.0
91.24394226074219	156.0
92.06708526611328	184.0
92.15686798095703	156.0
92.45325469970703	208.0
92.8133773803711	144.0
92.92079162597656	192.0
93.06857299804688	160.0
93.124267578125	192.0
93.22032165527344	188.0
93.76176452636719	124.0
93.957763671875	244.0
94.01178741455078	148.0
94.16816711425781	148.0
94.71747589111328	144.0
94.92872619628906	208.0
94.97138977050781	180.0
95.29752349853516	152.0
95.6514663696289	180.0
96.7955322265625	148.0
96.86995697021484	176.0
97.35047912597656	168.0
98.00645446777344	2136.0
98.20221710205078	208.0
98.26970672607422	176.0
98.48092651367188	168.0
98.6646957397461	156.0
98.75006103515625	140.0
99.00667572021484	496.0
99.1179428100586	168.0
99.22893524169922	140.0
99.32971954345703	180.0
99.36776733398438	172.0
100.00530242919922	232.0
100.06794738769531	160.0
100.17735290527344	172.0
100.38018035888672	148.0
100.55972290039062	152.0
100.57968139648438	152.0
100.75540924072266	240.0
100.82135009765625	144.0
100.91375732421875	140.0
101.43780517578125	216.0
101.83509826660156	140.0
101.92677307128906	220.0
102.1023941040039	140.0
102.41302490234375	176.0
102.49554443359375	308.0
102.73081970214844	176.0
102.79942321777344	152.0
102.894287109375	176.0
103.23778533935547	176.0
103.41783905029297	200.0
103.45475769042969	204.0
103.82410430908203	160.0
104.71319580078125	188.0
104.74578094482422	180.0
104.77837371826172	184.0
105.00871276855469	188.0
105.06990814208984	304.0
105.15357208251953	160.0
105.18010711669922	152.0
105.24542999267578	204.0
105.47015380859375	156.0
105.77288055419922	172.0
105.83257293701172	176.0
106.01250457763672	156.0
106.11294555664062	160.0
106.16419982910156	152.0
106.29959106445312	168.0
106.39605712890625	148.0
106.63639068603516	156.0
106.7042236328125	148.0
106.77002716064453	188.0
106.88387298583984	116.0
107.13640594482422	156.0
107.42613220214844	184.0
107.89998626708984	152.0
108.20618438720703	152.0
108.63931274414062	148.0
108.83855438232422	144.0
108.929931640625	152.0
109.07123565673828	144.0
109.16062927246094	164.0
110.0754165649414	228.0
111.15553283691406	164.0
111.18281555175781	164.0
111.27727508544922	148.0
111.62886810302734	180.0
112.05229187011719	136.0
112.72008514404297	140.0
112.9678955078125	172.0
113.06901550292969	224.0
113.22779083251953	160.0
113.27862548828125	248.0
113.36549377441406	156.0
113.46087646484375	140.0
113.59235382080078	152.0
113.67509460449219	140.0
113.98710632324219	124.0
114.1296615600586	156.0
114.17644500732422	140.0
114.30509948730469	184.0
114.78121948242188	252.0
114.81533813476562	200.0
114.87932586669922	164.0
114.91986083984375	140.0
115.050048828125	144.0
115.08804321289062	356.0
115.15467834472656	200.0
115.24226379394531	204.0
115.34911346435547	284.0
115.41752624511719	172.0
115.72991943359375	148.0
115.78345489501953	164.0
115.89234161376953	168.0
116.01416778564453	352.0
116.07274627685547	208.0
116.17998504638672	152.0
116.22035217285156	152.0
116.59654235839844	228.0
116.7126235961914	180.0
116.75777435302734	184.0
116.85027313232422	252.0
116.99015808105469	200.0
117.07125091552734	604.0
117.2335433959961	208.0
117.25724792480469	144.0
117.30897521972656	176.0
117.5220947265625	196.0
117.57643127441406	144.0
118.01709747314453	164.0
118.06731414794922	200.0
118.20311737060547	168.0
118.39578247070312	212.0
118.58985900878906	200.0
118.89006042480469	152.0
119.22232055664062	152.0
119.34839630126953	188.0
119.40058898925781	148.0
119.64067840576172	116.0
119.8511962890625	164.0
119.87298583984375	168.0
119.894775390625	184.0
119.99068450927734	156.0
120.080322265625	1416.0
120.22843933105469	148.0
120.45909118652344	200.0
120.53390502929688	140.0
120.6478042602539	180.0
120.85916137695312	144.0
120.95624542236328	152.0
121.0789566040039	176.0
121.1905746459961	160.0
121.44061279296875	196.0
121.60064697265625	188.0
122.02459716796875	388.0
122.20248413085938	168.0
122.39203643798828	184.0
122.43607330322266	152.0
122.55680084228516	164.0
122.59248352050781	188.0
122.71118927001953	108.0
123.05348205566406	144.0
123.34508514404297	140.0
123.59941864013672	164.0
123.90496063232422	168.0
124.03915405273438	252.0
124.46953582763672	160.0
124.51051330566406	140.0
124.81717681884766	180.0
124.83718872070312	176.0
125.34249114990234	176.0
125.36923217773438	152.0
125.44947052001953	216.0
125.86444091796875	164.0
126.45237731933594	144.0
126.7591781616211	152.0
126.77710723876953	168.0
126.94523620605469	200.0
127.23692321777344	152.0
127.25712585449219	200.0
127.44129943847656	144.0
127.48624420166016	180.0
127.5505142211914	136.0
127.74480438232422	140.0
127.77018737792969	168.0
127.80329895019531	148.0
128.01263427734375	152.0
128.06893920898438	252.0
128.37770080566406	184.0
128.5265655517578	192.0
128.5513916015625	172.0
128.7818145751953	120.0
128.9366455078125	188.0
129.06849670410156	904.0
129.3061981201172	220.0
129.43975830078125	140.0
129.78871154785156	220.0
130.0768280029297	152.0
130.2584991455078	172.0
130.41226196289062	160.0
131.09051513671875	164.0
131.1162567138672	140.0
131.39901733398438	172.0
131.4514923095703	196.0
131.83837890625	188.0
131.92198181152344	200.0
132.0826873779297	448.0
132.1582794189453	160.0
132.3802032470703	176.0
132.6551055908203	204.0
132.7714385986328	180.0
132.9297332763672	140.0
133.003173828125	196.0
133.06546020507812	264.0
133.0894317626953	268.0
133.20523071289062	144.0
133.34999084472656	156.0
133.41204833984375	168.0
133.9473419189453	224.0
134.00811767578125	160.0
134.0438690185547	180.0
134.097900390625	144.0
134.27320861816406	144.0
134.3216552734375	164.0
134.37008666992188	140.0
134.43701171875	144.0
134.5524139404297	140.0
134.6563262939453	184.0
134.74179077148438	216.0
134.8665771484375	168.0
134.903564453125	172.0
135.48904418945312	160.0
136.2128143310547	160.0
136.44520568847656	188.0
136.5661163330078	260.0
136.93850708007812	204.0
136.98509216308594	148.0
137.0316925048828	172.0
137.3020782470703	184.0
137.49794006347656	172.0
137.65679931640625	164.0
138.11953735351562	156.0
138.4448699951172	268.0
138.5572967529297	156.0
139.005126953125	148.0
139.08726501464844	140.0
139.1764678955078	148.0
139.33148193359375	140.0
139.448974609375	140.0
139.57591247558594	344.0
139.59942626953125	168.0
139.64418029785156	148.0
139.7200469970703	156.0
139.77392578125	156.0
139.82415771484375	176.0
139.90765380859375	156.0
139.9314422607422	116.0
139.9641571044922	148.0
139.98855590820312	228.0
140.02291870117188	156.0
140.05323791503906	81616.0
140.11892700195312	292.0
140.202392578125	96.0
140.2374267578125	124.0
140.27903747558594	196.0
140.3331298828125	128.0
140.43548583984375	108.0
140.46487426757812	96.0
140.5935516357422	120.0
140.65614318847656	192.0
140.737548828125	144.0
140.86508178710938	152.0
140.92604064941406	104.0
141.0233917236328	144.0
141.05662536621094	4820.0
141.11322021484375	228.0
141.26930236816406	148.0
141.5973663330078	140.0
141.72207641601562	212.0
141.759033203125	204.0
141.98460388183594	144.0
142.04916381835938	3068.0
142.2693328857422	156.0
142.80397033691406	160.0
142.82537841796875	168.0
143.05221557617188	460.0
143.0823516845703	352.0
143.17762756347656	152.0
144.08566284179688	164.0
144.265869140625	140.0
144.32064819335938	152.0
144.38043212890625	140.0
144.57420349121094	176.0
144.7058563232422	144.0
145.08917236328125	176.0
145.14910888671875	180.0
145.78456115722656	268.0
145.9270477294922	216.0
146.01602172851562	176.0
146.05902099609375	132.0
146.09725952148438	1032.0
146.81491088867188	176.0
147.10382080078125	312.0
147.26446533203125	236.0
147.33694458007812	148.0
148.1134490966797	156.0
148.39939880371094	188.0
148.65582275390625	140.0
148.85557556152344	144.0
149.12413024902344	108.0
149.22732543945312	212.0
149.39756774902344	168.0
149.5712432861328	108.0
150.0928955078125	156.0
150.39663696289062	156.0
150.49334716796875	104.0
150.90963745117188	156.0
151.31117248535156	132.0
151.33773803710938	132.0
151.52098083496094	132.0
151.9456329345703	152.0
152.79193115234375	112.0
153.06756591796875	144.0
153.2240447998047	164.0
153.36978149414062	144.0
155.00547790527344	156.0
155.08265686035156	644.0
155.21617126464844	168.0
155.36001586914062	188.0
155.4145965576172	192.0
155.73980712890625	196.0
156.12503051757812	152.0
156.1673126220703	196.0
156.22918701171875	160.0
156.3240509033203	156.0
156.68507385253906	140.0
156.8744659423828	164.0
157.38092041015625	148.0
157.5595703125	104.0
157.85067749023438	160.0
157.88568115234375	164.0
158.05726623535156	204.0
158.095947265625	488.0
158.12335205078125	180.0
158.4689178466797	160.0
158.6744384765625	240.0
158.71705627441406	208.0
158.7858428955078	152.0
158.84390258789062	264.0
158.9453125	164.0
159.0985107421875	292.0
159.4777069091797	192.0
159.80462646484375	156.0
159.8859405517578	176.0
160.06288146972656	160.0
160.11024475097656	164.0
160.23841857910156	188.0
160.52247619628906	180.0
160.61328125	156.0
160.82017517089844	172.0
160.93377685546875	152.0
161.0423583984375	140.0
161.0802459716797	144.0
161.3405303955078	176.0
161.37844848632812	168.0
161.67132568359375	168.0
161.74273681640625	200.0
162.2113494873047	160.0
162.2772674560547	184.0
162.33169555664062	128.0
162.8050537109375	168.0
162.95237731933594	176.0
163.03622436523438	132.0
163.06497192382812	296.0
163.24977111816406	188.0
163.28028869628906	180.0
163.3336944580078	172.0
163.62379455566406	196.0
163.91873168945312	196.0
164.02374267578125	184.0
164.1078643798828	200.0
164.27764892578125	164.0
165.0142364501953	208.0
165.20860290527344	144.0
165.250732421875	128.0
165.3570098876953	152.0
166.28221130371094	164.0
166.3438262939453	144.0
166.38746643066406	160.0
166.49273681640625	156.0
166.5128631591797	124.0
166.63658142089844	160.0
167.00160217285156	144.0
167.0986785888672	136.0
167.289794921875	140.0
167.45416259765625	168.0
167.99072265625	164.0
168.0825958251953	184.0
168.18682861328125	216.0
169.07937622070312	1804.0
169.3078155517578	104.0
169.5460205078125	116.0
170.08551025390625	452.0
170.14712524414062	172.0
170.28404235839844	140.0
170.3567657470703	180.0
170.44509887695312	160.0
170.64857482910156	128.0
170.68873596191406	148.0
170.80194091796875	124.0
170.85963439941406	192.0
170.8948211669922	184.0
171.02682495117188	136.0
171.0955047607422	120980.0
171.241943359375	140.0
171.26307678222656	104.0
171.32757568359375	136.0
171.33856201171875	284.0
171.3930206298828	176.0
171.50160217285156	116.0
171.6894989013672	112.0
171.78138732910156	152.0
171.91897583007812	156.0
172.0323944091797	96.0
172.09823608398438	9168.0
172.18276977539062	176.0
172.2104949951172	132.0
172.26806640625	176.0
172.61224365234375	104.0
172.72576904296875	188.0
172.74720764160156	156.0
172.7681427001953	140.0
172.84510803222656	152.0
173.09071350097656	4124.0
173.17645263671875	212.0
173.20211791992188	188.0
173.22482299804688	112.0
173.4463653564453	160.0
173.5603790283203	116.0
174.09461975097656	804.0
174.1574249267578	184.0
174.20208740234375	156.0
174.39198303222656	176.0
174.99432373046875	168.0
175.08847045898438	224.0
175.12481689453125	120.0
175.1780242919922	144.0
176.0034942626953	252.0
176.06687927246094	144.0
176.10867309570312	472.0
176.13818359375	164.0
176.257080078125	196.0
176.74766540527344	200.0
177.0030059814453	204.0
177.04006958007812	168.0
177.11077880859375	240.0
177.1884002685547	168.0
177.28643798828125	160.0
177.30763244628906	156.0
177.6019287109375	248.0
177.7451934814453	176.0
178.01329040527344	196.0
178.49159240722656	216.0
178.90664672851562	376.0
179.095703125	160.0
179.29818725585938	216.0
179.65814208984375	140.0
179.77020263671875	204.0
180.230224609375	144.0
180.9302215576172	164.0
181.4740753173828	188.0
181.49575805664062	192.0
181.54701232910156	180.0
181.76644897460938	152.0
182.03488159179688	148.0
182.08590698242188	168.0
182.14767456054688	176.0
182.7310333251953	144.0
182.9364471435547	188.0
183.0594024658203	152.0
183.09442138671875	176.0
183.5309600830078	204.0
184.14892578125	144.0
184.47317504882812	244.0
184.50291442871094	176.0
184.59213256835938	140.0
184.72195434570312	184.0
184.86534118652344	252.0
185.3636016845703	148.0
185.39340209960938	176.0
185.66664123535156	168.0
185.78656005859375	196.0
185.85438537597656	160.0
186.03590393066406	368.0
186.33494567871094	144.0
186.56594848632812	152.0
186.9902801513672	192.0
187.33609008789062	140.0
187.7203826904297	176.0
187.9358673095703	144.0
188.0519561767578	308.0
188.23562622070312	132.0
188.32077026367188	176.0
188.38087463378906	140.0
188.5202178955078	152.0
188.85101318359375	156.0
189.0623016357422	208.0
189.92469787597656	152.0
190.05426025390625	156.0
190.32261657714844	148.0
190.3528289794922	148.0
190.41598510742188	220.0
190.59454345703125	168.0
190.83917236328125	148.0
190.95294189453125	132.0
191.09495544433594	144.0
191.1995086669922	188.0
191.22703552246094	156.0
191.3509063720703	172.0
191.87161254882812	152.0
191.89642333984375	164.0
191.99844360351562	176.0
192.0723114013672	148.0
192.51852416992188	104.0
193.09962463378906	160.0
193.6234588623047	188.0
193.833984375	172.0
193.9365234375	140.0
194.10394287109375	260.0
194.3941192626953	188.0
194.56065368652344	188.0
194.86614990234375	176.0
195.13018798828125	148.0
195.5975341796875	148.0
196.09161376953125	268.0
196.2096405029297	180.0
196.42510986328125	144.0
196.71832275390625	136.0
196.74627685546875	176.0
196.81362915039062	132.0
196.83682250976562	184.0
196.87026977539062	144.0
196.92718505859375	180.0
197.0183563232422	528.0
197.07530212402344	160856.0
197.14515686035156	188.0
197.18624877929688	152.0
197.2504119873047	168.0
197.2882080078125	172.0
197.35812377929688	132.0
197.4298095703125	148.0
197.49058532714844	104.0
197.53546142578125	196.0
197.5775146484375	128.0
197.7108612060547	156.0
197.77383422851562	140.0
197.87623596191406	180.0
197.95388793945312	192.0
198.0778350830078	17484.0
198.3334503173828	132.0
198.5199432373047	168.0
198.58444213867188	176.0
198.9711456298828	120.0
199.0327606201172	132.0
199.0711212158203	6448.0
199.17625427246094	136.0
199.2047576904297	160.0
199.2374267578125	128.0
199.36944580078125	104.0
199.49749755859375	228.0
199.5274658203125	120.0
199.585205078125	140.0
199.6190643310547	132.0
199.64651489257812	116.0
199.6844024658203	136.0
199.749755859375	136.0
199.88975524902344	100.0
200.07559204101562	524.0
200.53472900390625	120.0
200.65028381347656	156.0
200.75758361816406	140.0
200.9417266845703	172.0
201.06871032714844	288.0
201.12966918945312	100.0
201.6222381591797	148.0
201.7720489501953	188.0
201.93038940429688	152.0
202.40298461914062	140.0
202.44546508789062	168.0
202.7485809326172	140.0
202.88180541992188	168.0
202.92149353027344	168.0
203.06300354003906	224.0
203.70474243164062	156.0
204.52935791015625	164.0
205.49754333496094	176.0
205.89218139648438	160.0
206.07786560058594	160.0
206.13214111328125	140.0
206.97596740722656	176.0
207.11233520507812	188.0
207.80052185058594	100.0
208.02467346191406	244.0
208.14012145996094	140.0
208.57679748535156	140.0
208.60267639160156	180.0
208.64173889160156	156.0
209.73390197753906	276.0
210.4608917236328	148.0
210.50152587890625	164.0
210.52731323242188	168.0
211.12437438964844	1068.0
211.55950927734375	160.0
211.9447021484375	144.0
212.06101989746094	148.0
212.13043212890625	320.0
212.46078491210938	148.0
212.52169799804688	164.0
212.69583129882812	188.0
213.06625366210938	164.0
213.11888122558594	296.0
213.1517791748047	172.0
213.23605346679688	152.0
213.44827270507812	164.0
213.6634979248047	268.0
214.06173706054688	248.0
214.09161376953125	144.0
214.13796997070312	216.0
214.16207885742188	436.0
214.21710205078125	96.0
214.52125549316406	148.0
214.6333770751953	168.0
215.05638122558594	144.0
215.0826416015625	128.0
216.0762176513672	144.0
216.31324768066406	164.0
217.025146484375	252.0
217.0797882080078	1696.0
217.13255310058594	140.0
217.27151489257812	144.0
217.35800170898438	108.0
217.98204040527344	148.0
218.08197021484375	380.0
218.1995391845703	156.0
218.96754455566406	180.0
219.06768798828125	156.0
219.11033630371094	168.0
219.13839721679688	244.0
219.63365173339844	196.0
220.72044372558594	164.0
220.88014221191406	172.0
222.10940551757812	160.0
224.67062377929688	156.0
224.79295349121094	176.0
225.1423797607422	260.0
225.23779296875	168.0
225.91934204101562	180.0
226.0700225830078	224.0
227.03955078125	148.0
227.34732055664062	108.0
227.9387969970703	236.0
228.0945281982422	168.0
228.48130798339844	140.0
228.52944946289062	208.0
228.7130126953125	172.0
228.81536865234375	152.0
229.0562744140625	140.0
229.53036499023438	156.0
229.601806640625	220.0
229.8431396484375	144.0
229.8823699951172	168.0
230.06044006347656	152.0
230.08322143554688	176.0
230.33523559570312	160.0
230.98814392089844	208.0
231.12281799316406	124.0
232.05296325683594	176.0
232.12083435058594	152.0
232.7428741455078	148.0
232.9493865966797	172.0
233.13397216796875	960.0
233.5841064453125	184.0
233.61207580566406	152.0
234.13540649414062	320.0
234.23609924316406	144.0
235.92666625976562	172.0
236.14682006835938	228.0
236.4906768798828	180.0
237.0521697998047	816.0
237.10440063476562	176.0
237.47607421875	164.0
237.61717224121094	176.0
237.7767333984375	208.0
238.06146240234375	224.0
238.50157165527344	164.0
238.87362670898438	180.0
239.05137634277344	156.0
239.07669067382812	216.0
239.8281707763672	220.0
239.91139221191406	144.0
239.99156188964844	164.0
240.0731658935547	160.0
240.09999084472656	120.0
240.16732788085938	204.0
240.21051025390625	248.0
240.40797424316406	140.0
241.05337524414062	296.0
241.1337127685547	144.0
241.7707977294922	212.0
241.9379425048828	176.0
242.11444091796875	160.0
242.41802978515625	200.0
242.77452087402344	144.0
243.05679321289062	148.0
243.09234619140625	300.0
245.02490234375	144.0
245.1292724609375	1188.0
246.1361083984375	404.0
246.9102325439453	148.0
247.08847045898438	120.0
247.11668395996094	192.0
247.1698760986328	164.0
247.45156860351562	144.0
247.5110626220703	188.0
248.14207458496094	1068.0
249.12124633789062	104.0
249.1500701904297	1220.0
250.00523376464844	100.0
250.06642150878906	176.0
250.15875244140625	10508.0
250.21218872070312	176.0
250.25831604003906	104.0
250.4788818359375	176.0
250.7214813232422	152.0
250.798828125	104.0
250.99928283691406	140.0
251.1613311767578	1804.0
251.7104949951172	108.0
251.90782165527344	304.0
252.07843017578125	184.0
252.16464233398438	216.0
252.43247985839844	148.0
252.4552459716797	236.0
252.93234252929688	168.0
253.17752075195312	164.0
254.8954620361328	164.0
255.08932495117188	244.0
255.11158752441406	152.0
255.1560821533203	140.0
255.45501708984375	168.0
255.5220947265625	144.0
255.79869079589844	144.0
256.1011962890625	156.0
256.3018798828125	160.0
257.1092834472656	136.0
257.16461181640625	112.0
257.35443115234375	140.0
258.0893249511719	152.0
258.43475341796875	156.0
259.0590515136719	160.0
259.1305847167969	264.0
259.16595458984375	152.0
259.41796875	196.0
259.75787353515625	176.0
260.1476745605469	140.0
260.6246643066406	184.0
261.14544677734375	144.0
261.3416748046875	172.0
261.568359375	156.0
261.7247009277344	148.0
262.15325927734375	164.0
263.3550720214844	180.0
263.9155578613281	144.0
264.0856628417969	328.0
264.1980895996094	132.0
264.67913818359375	156.0
265.1671142578125	140.0
265.3271484375	236.0
265.4827880859375	140.0
266.08544921875	136.0
266.1533508300781	1404.0
266.22265625	152.0
266.4110412597656	140.0
266.7490234375	204.0
267.156005859375	228.0
267.1849670410156	340.0
267.3000793457031	136.0
267.3474426269531	148.0
267.51995849609375	144.0
267.7651062011719	192.0
267.8314208984375	184.0
267.8946838378906	108.0
267.9400634765625	204.0
267.9716491699219	180.0
268.0436096191406	300.0
268.09320068359375	3164.0
268.1481018066406	159444.0
268.2640686035156	216.0
268.3551330566406	156.0
268.3774719238281	260.0
268.4004211425781	224.0
268.45062255859375	308.0
268.51806640625	256.0
268.5567321777344	108.0
268.6359558105469	156.0
268.6849365234375	212.0
268.8796081542969	140.0
268.90765380859375	176.0
268.96600341796875	136.0
269.0960388183594	584.0
269.15118408203125	16800.0
269.213623046875	256.0
269.25042724609375	100.0
269.6612548828125	100.0
269.8231506347656	168.0
269.8765563964844	152.0
270.0455017089844	112.0
270.08477783203125	212.0
270.1458740234375	5728.0
270.2021789550781	164.0
270.5345153808594	132.0
270.57696533203125	120.0
270.78076171875	176.0
270.840576171875	148.0
270.9095458984375	156.0
270.9915466308594	232.0
271.0977783203125	124.0
271.14788818359375	1328.0
271.2106628417969	124.0
271.29449462890625	144.0
271.37896728515625	156.0
271.6111145019531	168.0
271.6458740234375	124.0
271.8699645996094	104.0
271.9195251464844	140.0
272.1448974609375	220.0
272.36163330078125	196.0
273.10516357421875	136.0
273.36737060546875	200.0
274.10943603515625	140.0
274.1657409667969	196.0
274.1888122558594	180.0
274.8761901855469	124.0
275.7961120605469	240.0
276.1347961425781	588.0
277.14398193359375	156.0
277.177978515625	116.0
277.4877014160156	188.0
277.8890075683594	168.0
277.9819030761719	212.0
278.1567077636719	360.0
278.2341613769531	228.0
278.37030029296875	140.0
279.1507873535156	408.0
279.3540954589844	168.0
279.7134704589844	144.0
279.73675537109375	140.0
279.93255615234375	228.0
281.3335266113281	164.0
281.4436950683594	212.0
281.689208984375	148.0
282.12713623046875	124.0
282.7192077636719	104.0
282.8042907714844	156.0
282.94488525390625	180.0
283.24871826171875	240.0
284.2486877441406	248.0
284.35272216796875	272.0
285.1990966796875	236.0
285.8294677734375	180.0
286.4743957519531	160.0
287.1620178222656	168.0
287.72552490234375	168.0
288.98614501953125	152.0
289.10003662109375	140.0
289.4261779785156	168.0
290.0020751953125	164.0
290.43426513671875	180.0
290.8527526855469	144.0
291.0997619628906	136.0
291.54400634765625	248.0
292.0881652832031	164.0
292.1169738769531	172.0
293.01959228515625	224.0
293.680908203125	188.0
293.7559509277344	132.0
293.84625244140625	184.0
293.97772216796875	208.0
294.0704650878906	320.0
294.1460266113281	424.0
294.17596435546875	148.0
294.3976135253906	164.0
294.5374450683594	148.0
294.6686706542969	100.0
294.80706787109375	192.0
294.8929748535156	276.0
294.9311828613281	116.0
294.9793395996094	172.0
295.049072265625	216.0
295.089599609375	104.0
295.178466796875	380.0
295.2165222167969	212.0
295.2559814453125	228.0
295.28265380859375	148.0
295.2954406738281	112.0
295.3050537109375	200.0
295.35052490234375	132.0
295.4079284667969	200.0
295.48297119140625	96.0
295.5347900390625	192.0
295.58319091796875	132.0
295.6447448730469	204.0
295.694091796875	200.0
295.7297058105469	100.0
295.76409912109375	116.0
295.810302734375	128.0
295.8669128417969	440.0
295.9117736816406	288.0
295.93780517578125	348.0
295.99029541015625	300.0
296.0628967285156	240.0
296.1036376953125	608.0
296.1445617675781	210504.0
296.2577209472656	100.0
296.3781433105469	364.0
296.4010009765625	400.0
296.4161376953125	212.0
296.4623107910156	284.0
296.5177307128906	280.0
296.5605773925781	320.0
296.6656799316406	384.0
296.70904541015625	6268.0
296.74444580078125	228.0
296.80810546875	120.0
296.9360046386719	104.0
297.0175476074219	300.0
297.0863037109375	148.0
297.146484375	72804.0
297.2275695800781	248.0
297.2585754394531	260.0
297.2821350097656	212.0
297.32257080078125	160.0
297.4172668457031	200.0
297.4609680175781	140.0
297.5492858886719	240.0
297.6135559082031	152.0
297.7153625488281	248.0
297.7544250488281	160.0
297.8409729003906	232.0
297.9220275878906	108.0
297.98565673828125	100.0
298.1407470703125	19140.0
298.4237060546875	96.0
298.649169921875	188.0
298.6883850097656	140.0
298.8538818359375	240.0
298.9001770019531	120.0
298.9522399902344	300.0
299.02508544921875	244.0
299.04754638671875	436.0
299.14306640625	2660.0
299.2175598144531	136.0
299.2811279296875	216.0
299.3469543457031	204.0
299.4382629394531	300.0
299.4896545410156	112.0
299.5309753417969	116.0
299.6878356933594	188.0
299.921142578125	100.0
299.9757080078125	112.0
300.11334228515625	192.0
300.14898681640625	300.0
300.2104797363281	100.0
300.3446350097656	108.0
300.4287414550781	120.0
300.8146667480469	200.0
301.0344543457031	100.0
301.06134033203125	100.0
301.2030944824219	132.0
301.3017578125	132.0
301.33270263671875	152.0
301.4394836425781	124.0
301.4696044921875	128.0
302.0954284667969	200.0
302.9223327636719	116.0
303.3745422363281	172.0
305.13275146484375	192.0
305.1833190917969	192.0
307.19976806640625	168.0
308.38555908203125	168.0
309.1554260253906	148.0
310.05145263671875	168.0
310.12298583984375	148.0
311.17626953125	1656.0
312.17584228515625	284.0
313.20123291015625	124.0
313.7259216308594	144.0
313.9445495605469	156.0
316.91729736328125	148.0
317.4206237792969	192.0
317.5174560546875	184.0
318.1297607421875	144.0
319.3347473144531	160.0
319.6300354003906	152.0
320.1514587402344	256.0
320.3028869628906	152.0
321.172607421875	204.0
323.1946105957031	188.0
326.3365478515625	140.0
327.1280212402344	152.0
330.13067626953125	1136.0
331.1341247558594	456.0
331.2228698730469	184.0
332.1194763183594	232.0
335.3098449707031	108.0
335.7879943847656	164.0
338.15911865234375	172.0
339.1717529296875	536.0
342.12420654296875	168.0
345.0895690917969	160.0
345.1398010253906	212.0
346.1461486816406	196.0
347.1556701660156	5712.0
347.2117004394531	252.0
348.1546325683594	1748.0
349.1543884277344	504.0
349.2131652832031	144.0
349.23779296875	188.0
350.13616943359375	152.0
351.5975646972656	164.0
353.12933349609375	216.0
364.1797790527344	552.0
365.1702880859375	3276.0
366.1712951660156	1760.0
367.16790771484375	392.0
370.1553649902344	220.0
371.179443359375	152.0
373.1250915527344	256.0
373.1560974121094	124.0
373.4452209472656	140.0
374.1285705566406	144.0
374.1657409667969	252.0
374.2221374511719	148.0
375.1495361328125	240.0
375.20416259765625	816.0
375.7294921875	160.0
376.2084655761719	284.0
377.1543884277344	160.0
377.2042541503906	120.0
377.4134216308594	160.0
380.1481018066406	220.0
380.88189697265625	144.0
382.1929931640625	2728.0
383.0913391113281	164.0
383.19830322265625	828.0
384.1931457519531	420.0
385.17828369140625	168.0
389.2081298828125	144.0
390.1928405761719	128.0
391.14202880859375	544.0
391.23138427734375	116.0
392.1739196777344	544.0
392.2356872558594	828.0
393.1405334472656	544.0
393.2314758300781	216.0
394.5088806152344	168.0
395.71380615234375	296.0
399.3468933105469	128.0
400.1127014160156	236.0
401.197509765625	156.0
402.7046203613281	168.0
404.2378845214844	212.0
407.310791015625	144.0
408.1723327636719	1120.0
409.1697998046875	292.0
410.1768798828125	328.0
410.2405090332031	184.0
412.1934814453125	96.0
418.1462707519531	144.0
418.1755065917969	272.0
418.90008544921875	188.0
419.45428466796875	148.0
420.1597595214844	148.0
420.2369384765625	112.0
421.2303161621094	132.0
421.5111999511719	156.0
422.2552185058594	164.0
422.7242431640625	188.0
422.9850769042969	96.0
423.4216003417969	168.0
423.5470275878906	96.0
424.42279052734375	148.0
424.5721435546875	196.0
424.6697082519531	172.0
424.930419921875	160.0
425.0744934082031	424.0
425.1228942871094	144.0
425.262451171875	144.0
425.3638000488281	264.0
425.5415954589844	160.0
425.6419982910156	116.0
425.8020324707031	204.0
425.9106750488281	188.0
425.96197509765625	216.0
426.07025146484375	240.0
426.1214294433594	180.0
426.18536376953125	118284.0
426.3125305175781	180.0
426.37005615234375	128.0
426.41448974609375	104.0
426.62646484375	168.0
426.7967224121094	108.0
426.8601379394531	340.0
426.95098876953125	152.0
427.0971984863281	212.0
427.1875	33664.0
427.3348693847656	260.0
427.3999328613281	228.0
427.4319152832031	104.0
427.645751953125	288.0
427.70013427734375	148.0
427.85528564453125	128.0
428.1833190917969	8440.0
428.42547607421875	128.0
428.81048583984375	116.0
429.1844787597656	1364.0
429.5045166015625	160.0
429.53515625	96.0
429.7384033203125	160.0
429.84222412109375	108.0
429.8974609375	100.0
430.02459716796875	156.0
430.18890380859375	276.0
430.4813537597656	116.0
430.6827697753906	140.0
430.8591613769531	100.0
430.9703369140625	232.0
431.1617736816406	112.0
431.3585205078125	144.0
434.2113037109375	172.0
435.2923583984375	96.0
436.165771484375	396.0
436.22930908203125	484.0
437.1744079589844	144.0
437.2263488769531	328.0
438.21588134765625	268.0
443.22967529296875	160.0
444.2050476074219	152.0
445.22119140625	148.0
449.459716796875	164.0
450.04888916015625	108.0
450.22491455078125	104.0
455.2122802734375	152.0
455.76446533203125	240.0
463.2498779296875	144.0
463.2701110839844	160.0
466.7387390136719	180.0
471.2278137207031	328.0
472.2085266113281	636.0
481.8069763183594	144.0
482.921630859375	176.0
488.8662109375	160.0
489.2298278808594	780.0
490.2278747558594	732.0
491.21673583984375	452.0
492.2428283691406	156.0
494.74090576171875	156.0
497.23638916015625	212.0
507.2400817871094	3948.0
507.4694519042969	168.0
507.64581298828125	132.0
507.7878112792969	156.0
508.09283447265625	140.0
508.2446594238281	1984.0
509.2456359863281	592.0
510.2463684082031	120.0
511.23626708984375	120.0
511.4821472167969	104.0
519.6697998046875	168.0
521.1664428710938	144.0
531.1890258789062	160.0
532.2630004882812	176.0
533.1575317382812	104.0
533.221435546875	3404.0
533.319580078125	208.0
534.2206420898438	804.0
535.2221069335938	436.0
536.2086181640625	136.0
537.2439575195312	116.0
540.2039184570312	172.0
548.9168701171875	140.0
550.20458984375	188.0
550.8206787109375	104.0
551.1060180664062	168.0
551.231689453125	6328.0
552.0081176757812	168.0
552.2330932617188	2404.0
553.232177734375	516.0
554.2343139648438	240.0
555.2346801757812	152.0
559.7626342773438	96.0
562.3121948242188	144.0
562.3954467773438	172.0
564.1715087890625	164.0
564.994384765625	152.0
565.2281494140625	272.0
565.7326049804688	140.0
565.9125366210938	172.0
566.2220458984375	108.0
566.5908813476562	140.0
577.6436157226562	208.0
588.393798828125	184.0
600.1237182617188	104.0
606.30908203125	1096.0
607.3110961914062	768.0
607.44140625	216.0
608.3048095703125	188.0
609.30810546875	216.0
614.6636962890625	156.0
615.310302734375	160.0
617.7911376953125	140.0
622.062744140625	160.0
622.6734619140625	156.0
622.9664916992188	152.0
623.4882202148438	188.0
628.2083740234375	156.0
631.39501953125	164.0
640.4491577148438	152.0
641.467041015625	140.0
644.5557250976562	148.0
645.2127685546875	172.0
646.5108642578125	120.0
651.9490356445312	164.0
657.4030151367188	188.0
664.2877197265625	128.0
669.583740234375	144.0
675.1987915039062	172.0
675.2918701171875	212.0
676.2024536132812	160.0
677.2327270507812	152.0
677.3257446289062	2592.0
678.2431030273438	164.0
678.3284301757812	2008.0
679.228271484375	140.0
679.32373046875	264.0
680.3388061523438	172.0
680.442626953125	204.0
684.30029296875	140.0
686.0872802734375	148.0
687.1146240234375	152.0
690.1557006835938	120.0
694.314208984375	148.0
702.8760986328125	176.0
703.3064575195312	2772.0
703.7002563476562	144.0
704.3075561523438	2060.0
705.304931640625	1020.0
706.310546875	296.0
706.7174072265625	140.0
708.33740234375	172.0
708.5386962890625	144.0
712.3900756835938	160.0
714.1466064453125	96.0
714.4086303710938	112.0
716.1697387695312	192.0
716.4751586914062	120.0
716.86962890625	112.0
717.1930541992188	160.0
717.781494140625	140.0
717.8614501953125	116.0
718.0234985351562	116.0
718.141357421875	140.0
718.2081298828125	192.0
718.32763671875	160.0
718.3856811523438	108.0
718.582763671875	156.0
718.6397094726562	120.0
718.8056640625	144.0
718.9495849609375	124.0
718.9946899414062	120.0
719.0511474609375	144.0
719.0986328125	120.0
719.2261352539062	132.0
719.3005981445312	156.0
719.6909790039062	240.0
719.844970703125	196.0
720.0570678710938	228.0
720.1114501953125	152.0
720.3391723632812	280.0
720.4011840820312	152.0
720.4733276367188	124.0
720.5352172851562	176.0
720.6134033203125	160.0
720.6875	116.0
720.8267822265625	152.0
720.8768310546875	96.0
721.0234375	144.0
721.0861206054688	196.0
721.1649780273438	264.0
721.3207397460938	111652.0
721.5108642578125	296.0
721.611328125	292.0
721.76318359375	164.0
721.7831420898438	192.0
721.8319091796875	256.0
721.8951416015625	316.0
721.949951171875	372.0
722.0186767578125	128.0
722.0803833007812	132.0
722.1214599609375	224.0
722.1954345703125	412.0
722.3213500976562	55968.0
722.5084228515625	260.0
722.60009765625	172.0
722.701171875	132.0
722.794921875	236.0
722.8565673828125	148.0
722.996826171875	172.0
723.122314453125	204.0
723.1865844726562	204.0
723.3199462890625	19568.0
723.46435546875	216.0
723.5280151367188	136.0
723.6039428710938	216.0
723.7295532226562	136.0
723.9628295898438	216.0
724.0471801757812	144.0
724.1953125	168.0
724.32080078125	5644.0
724.49755859375	116.0
724.5736694335938	96.0
724.6473388671875	120.0
724.8046264648438	152.0
725.0449829101562	116.0
725.317138671875	1428.0
725.5010375976562	272.0
725.6458129882812	132.0
725.8569946289062	252.0
725.9042358398438	128.0
725.9947509765625	208.0
726.0375366210938	188.0
726.1963500976562	140.0
726.309326171875	328.0
726.6781005859375	104.0
726.7998046875	140.0
726.85791015625	144.0
726.898681640625	120.0
727.1183471679688	112.0
727.2608642578125	96.0
727.3148803710938	204.0
727.4107666015625	288.0
727.4658203125	200.0
727.575439453125	136.0
727.6631469726562	96.0
727.7122192382812	108.0
727.7691650390625	176.0
728.018310546875	164.0
728.1787719726562	100.0
728.2689208984375	120.0
728.3489990234375	200.0
728.5156860351562	144.0
729.1102905273438	160.0
733.6499633789062	176.0
764.450927734375	108.0
767.8860473632812	100.0
845.0018920898438	140.0
870.0568237304688	148.0
930.943603515625	200.0
976.5537719726562	152.0
1004.9443359375	140.0
1066.0238037109375	156.0
1081.5980224609375	160.0
1131.635009765625	172.0
1210.39013671875	144.0
1210.54931640625	140.0
1215.255859375	160.0
1235.48095703125	180.0
1243.770751953125	196.0
1247.59912109375	152.0
1249.666748046875	168.0
1309.2353515625	168.0
1332.04736328125	212.0
1343.2864990234375	232.0
1351.373779296875	172.0
1379.6815185546875	192.0
1380.4283447265625	140.0
1399.118408203125	188.0
1408.15576171875	212.0
1432.096435546875	140.0
1441.6702880859375	144.0
1443.7415771484375	176.0
1448.6234130859375	140.0
1464.8643798828125	200.0
1465.245361328125	152.0
1467.2191162109375	160.0
1489.9793701171875	200.0
1502.79052734375	148.0
1522.1722412109375	180.0
1529.5423583984375	148.0
1533.31982421875	144.0
1554.9210205078125	176.0
1556.286865234375	168.0
1557.150634765625	176.0
1558.4625244140625	180.0
1574.1846923828125	160.0
1579.1002197265625	140.0
1584.7205810546875	168.0
1606.8709716796875	156.0
1608.29931640625	168.0
1618.3240966796875	196.0
1621.2557373046875	176.0
1627.761474609375	156.0
1634.811279296875	148.0
1635.03662109375	168.0
1637.0089111328125	164.0
1644.829345703125	144.0
1648.916259765625	168.0
1652.8707275390625	196.0
1659.74755859375	144.0
1661.7752685546875	160.0
1666.2081298828125	164.0
1676.6151123046875	180.0
1677.8785400390625	204.0
1680.031494140625	184.0
1680.40673828125	148.0
1690.01513671875	204.0
1698.73193359375	192.0
1706.015869140625	140.0
1708.359619140625	148.0
1712.541015625	176.0
1716.059814453125	172.0
1721.0267333984375	180.0
1722.6124267578125	240.0
1724.43017578125	236.0
1731.3797607421875	148.0
1741.275146484375	156.0
1742.652587890625	196.0
1762.32861328125	144.0
1766.261474609375	176.0
1768.1021728515625	180.0
1774.66943359375	168.0
1785.05615234375	180.0
1787.369384765625	168.0
1798.9324951171875	224.0
1801.2293701171875	216.0
1804.525146484375	200.0
1812.921875	140.0
1813.1507568359375	148.0
1815.490478515625	172.0
1816.5252685546875	152.0
1820.386962890625	208.0
1821.796875	164.0
1825.3580322265625	160.0
1831.5025634765625	140.0
1833.6922607421875	140.0
1835.84912109375	164.0
1849.7498779296875	172.0
1854.8294677734375	176.0
1855.189453125	156.0
1866.445068359375	212.0
1870.3765869140625	180.0
1881.2205810546875	152.0
1889.9407958984375	184.0
1890.6417236328125	228.0
1892.0439453125	180.0
1900.9366455078125	148.0
1901.43994140625	144.0
1903.4429931640625	180.0
1903.6971435546875	144.0
1904.435302734375	148.0
1905.62548828125	156.0
1907.798095703125	168.0
1909.980712890625	208.0
1912.4779052734375	140.0
1913.200439453125	160.0
1915.65673828125	200.0
1922.3172607421875	168.0
1926.7440185546875	160.0
1929.111328125	124.0
1929.6104736328125	156.0
1933.40673828125	164.0
1934.299560546875	188.0
1937.635986328125	156.0
1943.7208251953125	192.0
1945.0899658203125	180.0
1945.958984375	152.0
1947.84716796875	188.0
1949.3319091796875	208.0
1951.546875	164.0
1952.2767333984375	156.0
1958.4110107421875	160.0
1960.064208984375	144.0
1963.3023681640625	152.0
1967.0521240234375	152.0
1969.3212890625	180.0
1977.2518310546875	392.0
1979.5003662109375	140.0
1986.457763671875	180.0
1993.7650146484375	216.0
1995.2493896484375	188.0
2000.23095703125	228.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079260
PEPMASS=361.16861
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=RITONAVIR [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)Cc4ccccc4
INCHI=InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
INCHIAUX=NCDNCNXCDXHOMX-XGKFQTDJSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079260
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079260
SCANS=1970
44.88703536987305	304.0
44.91237258911133	148.0
45.04682922363281	148.0
45.05788040161133	200.0
45.32279586791992	152.0
45.376407623291016	204.0
45.40322494506836	148.0
45.50386428833008	164.0
45.5925178527832	168.0
45.61940002441406	228.0
45.64360046386719	164.0
45.70094680786133	164.0
45.7404670715332	140.0
45.78489685058594	180.0
45.83743667602539	160.0
45.887306213378906	152.0
46.03843307495117	152.0
46.11814498901367	240.0
46.13842010498047	200.0
46.24393081665039	184.0
46.27642059326172	168.0
46.29402542114258	172.0
46.33736801147461	208.0
46.37937927246094	144.0
46.41055679321289	204.0
46.420719146728516	148.0
46.457305908203125	128.0
46.67308044433594	188.0
46.79978942871094	128.0
46.83184051513672	144.0
46.883609771728516	156.0
46.93540954589844	192.0
46.959957122802734	148.0
47.08415603637695	188.0
47.23450469970703	188.0
47.245445251464844	152.0
47.28102111816406	164.0
47.311370849609375	116.0
47.47144317626953	156.0
47.59356689453125	148.0
47.758480072021484	140.0
47.83553695678711	156.0
47.90418243408203	160.0
48.111244201660156	216.0
48.322696685791016	196.0
48.47202682495117	160.0
48.56858825683594	256.0
48.83735656738281	184.0
48.87630844116211	232.0
48.911102294921875	188.0
49.02948760986328	324.0
49.379913330078125	176.0
49.48766326904297	160.0
49.62592315673828	212.0
49.6572265625	152.0
49.70492172241211	200.0
49.7476806640625	224.0
49.780059814453125	152.0
49.8397216796875	224.0
49.99932861328125	112.0
50.1524658203125	208.0
50.245208740234375	196.0
50.418888092041016	172.0
50.42878341674805	212.0
50.45139694213867	232.0
50.496646881103516	228.0
50.69272232055664	232.0
50.70335006713867	144.0
50.75721740722656	224.0
50.852542877197266	164.0
50.991455078125	156.0
51.024147033691406	148.0
51.183128356933594	168.0
51.26897430419922	140.0
51.39303207397461	336.0
51.44440841674805	152.0
51.521575927734375	144.0
51.6258659362793	216.0
51.70311737060547	204.0
51.71879196166992	160.0
51.75566482543945	192.0
51.76097106933594	136.0
51.92074966430664	164.0
51.96690368652344	140.0
51.99404525756836	184.0
52.12903594970703	160.0
52.15203094482422	152.0
52.20091247558594	184.0
52.2138557434082	180.0
52.22392272949219	140.0
52.292320251464844	156.0
52.38945770263672	220.0
52.54948806762695	120.0
52.55958557128906	332.0
52.656307220458984	184.0
52.66641616821289	244.0
52.73432540893555	164.0
52.77335739135742	180.0
52.84133529663086	168.0
52.94700241088867	168.0
53.10062789916992	156.0
53.139793395996094	156.0
53.21236038208008	196.0
53.255130767822266	236.0
53.34601593017578	156.0
53.37363815307617	180.0
53.487117767333984	176.0
53.531089782714844	196.0
53.55503463745117	192.0
53.654640197753906	140.0
53.67851257324219	172.0
53.78593063354492	156.0
53.84725570678711	144.0
53.9217643737793	212.0
54.051918029785156	152.0
54.07679748535156	212.0
54.12949752807617	204.0
54.36697769165039	152.0
54.61233139038086	184.0
54.965904235839844	176.0
55.05929183959961	216.0
55.11794662475586	128.0
55.27177429199219	176.0
55.39177703857422	144.0
55.44651412963867	192.0
55.518394470214844	152.0
55.53843688964844	204.0
55.551788330078125	176.0
55.66458511352539	176.0
55.76263427734375	140.0
55.7760124206543	188.0
55.854820251464844	140.0
56.04240036010742	144.0
56.616004943847656	196.0
56.68941116333008	164.0
56.734375	156.0
56.90690994262695	176.0
57.16695022583008	140.0
57.205474853515625	188.0
57.27836227416992	200.0
57.364253997802734	220.0
57.38536071777344	152.0
57.427581787109375	264.0
57.567935943603516	192.0
57.583038330078125	292.0
57.60569763183594	164.0
57.62080383300781	176.0
57.65253448486328	184.0
57.82948303222656	196.0
57.846134185791016	152.0
57.97184371948242	144.0
58.0142822265625	176.0
58.09010314941406	164.0
58.30570983886719	148.0
58.32090759277344	192.0
58.37411880493164	156.0
58.488224029541016	140.0
58.62377166748047	184.0
58.77473449707031	144.0
58.78541564941406	144.0
58.875484466552734	156.0
58.89075469970703	172.0
59.02289962768555	196.0
59.051239013671875	176.0
59.14610290527344	152.0
59.16804122924805	204.0
59.195594787597656	164.0
59.28853988647461	140.0
59.380523681640625	148.0
59.426544189453125	140.0
59.63231658935547	164.0
59.724571228027344	172.0
59.77534103393555	216.0
60.373878479003906	144.0
60.45277786254883	176.0
60.554954528808594	152.0
60.58438491821289	168.0
60.720787048339844	184.0
60.87442398071289	188.0
61.022037506103516	180.0
61.113800048828125	144.0
61.24836730957031	200.0
61.26637649536133	152.0
61.308494567871094	128.0
61.35601806640625	152.0
61.395748138427734	152.0
61.444297790527344	160.0
61.48154830932617	172.0
61.531497955322266	212.0
61.6220817565918	168.0
61.76747131347656	152.0
61.78559494018555	148.0
61.87041473388672	224.0
61.941219329833984	156.0
61.98978805541992	164.0
62.04935073852539	204.0
62.105804443359375	204.0
62.20779800415039	144.0
62.336585998535156	176.0
62.41827392578125	124.0
62.55677795410156	144.0
62.78681945800781	168.0
62.81678771972656	140.0
62.936729431152344	324.0
63.00780487060547	176.0
63.260833740234375	232.0
63.29566192626953	240.0
63.360599517822266	140.0
63.51119613647461	176.0
63.682613372802734	156.0
63.92585372924805	152.0
63.96405029296875	180.0
64.02783966064453	160.0
64.07552337646484	152.0
64.24171447753906	196.0
64.46324920654297	208.0
64.61994934082031	152.0
64.6839599609375	216.0
64.73143768310547	220.0
64.78003692626953	240.0
64.79926300048828	252.0
65.0407943725586	248.0
65.1250228881836	116.0
65.6624755859375	176.0
65.77057647705078	148.0
65.8674545288086	160.0
66.07923126220703	140.0
66.20063018798828	144.0
66.24922180175781	208.0
66.34916687011719	160.0
66.93460845947266	204.0
67.09754180908203	236.0
67.2410888671875	180.0
67.27699279785156	172.0
67.5678939819336	184.0
67.88072967529297	140.0
67.95454406738281	252.0
68.00377655029297	160.0
68.09078979492188	196.0
68.12199401855469	160.0
68.15485382080078	220.0
68.2429428100586	148.0
68.32420349121094	160.0
68.5003433227539	264.0
68.55142211914062	140.0
68.6783676147461	156.0
68.69921875	224.0
69.01151275634766	248.0
69.3082275390625	164.0
69.4391860961914	200.0
69.48231506347656	156.0
69.55699157714844	172.0
69.62372589111328	164.0
69.75778198242188	164.0
69.77732849121094	132.0
69.82527923583984	176.0
69.92098999023438	216.0
69.99256896972656	192.0
70.07418060302734	176.0
70.34864807128906	188.0
70.4111328125	156.0
70.52307891845703	152.0
70.57823944091797	172.0
70.62673950195312	144.0
70.68529510498047	184.0
70.91304779052734	176.0
70.94154357910156	164.0
71.02203369140625	220.0
71.10760498046875	160.0
71.1378173828125	208.0
71.3041000366211	144.0
71.4335708618164	148.0
71.6490478515625	140.0
71.70633697509766	156.0
71.79232025146484	148.0
71.86902618408203	220.0
72.10264587402344	156.0
72.1739501953125	184.0
72.25005340576172	284.0
72.2822036743164	148.0
72.3683090209961	156.0
72.79582214355469	208.0
72.8077163696289	156.0
73.1375503540039	168.0
73.27037048339844	196.0
73.5227279663086	148.0
73.61491394042969	200.0
73.63369750976562	140.0
73.93116760253906	156.0
74.00305938720703	180.0
74.17266082763672	144.0
74.3355941772461	176.0
74.39148712158203	120.0
74.6963882446289	204.0
74.72029113769531	116.0
74.77897644042969	172.0
74.91328430175781	148.0
74.95118713378906	160.0
75.02012634277344	176.0
75.25648498535156	236.0
75.62572479248047	212.0
75.63900756835938	120.0
75.6662368774414	144.0
75.80480194091797	160.0
75.924072265625	188.0
76.21257781982422	184.0
76.42469787597656	216.0
76.49256896972656	240.0
76.50997924804688	148.0
76.55351257324219	144.0
76.59356689453125	144.0
76.64234924316406	156.0
76.88124084472656	140.0
76.97376251220703	188.0
77.14131164550781	200.0
77.20683288574219	148.0
77.27964782714844	148.0
77.32164001464844	184.0
77.3899154663086	140.0
77.48448944091797	184.0
77.49675750732422	168.0
77.63347625732422	292.0
77.76154327392578	228.0
77.91255950927734	168.0
78.15785217285156	216.0
78.22056579589844	156.0
78.29776763916016	176.0
78.48483276367188	128.0
78.59391784667969	148.0
78.68746185302734	152.0
78.74845123291016	164.0
78.81462860107422	148.0
78.83406829833984	152.0
78.91007232666016	144.0
78.93659210205078	224.0
79.17372131347656	188.0
79.29241943359375	168.0
79.3314208984375	168.0
79.3456039428711	164.0
79.58866882324219	160.0
79.67569732666016	264.0
79.7181396484375	144.0
79.84811401367188	180.0
79.89352416992188	148.0
80.0403060913086	204.0
80.32913208007812	148.0
80.34687042236328	140.0
80.37541198730469	152.0
80.38790130615234	152.0
80.40753173828125	144.0
80.42716979980469	184.0
80.47893524169922	172.0
80.55216217041016	168.0
80.74698638916016	176.0
80.84001159667969	160.0
80.86327362060547	184.0
80.99040222167969	140.0
81.01368713378906	160.0
81.13554382324219	224.0
81.20803833007812	196.0
81.28620910644531	180.0
81.30056762695312	180.0
81.46575164794922	172.0
81.52703857421875	180.0
81.57537078857422	140.0
81.60772705078125	160.0
81.6580810546875	192.0
81.71824645996094	196.0
82.0704574584961	140.0
82.32849884033203	160.0
82.40707397460938	156.0
82.61382293701172	172.0
82.66564178466797	152.0
82.68826293945312	164.0
82.80594635009766	156.0
83.01783752441406	204.0
83.07783508300781	192.0
83.12500762939453	144.0
83.2230224609375	148.0
83.38469696044922	168.0
83.65389251708984	180.0
83.7340087890625	172.0
83.7576904296875	204.0
83.87676239013672	160.0
84.07310485839844	236.0
84.11685943603516	144.0
84.2831039428711	216.0
84.30868530273438	164.0
84.33426666259766	140.0
84.356201171875	164.0
84.4659194946289	148.0
84.63611602783203	260.0
84.66908264160156	144.0
84.71581268310547	136.0
84.91099548339844	208.0
84.95684814453125	172.0
84.99170684814453	156.0
85.3995361328125	280.0
85.43169403076172	208.0
85.50993347167969	188.0
85.59461212158203	196.0
85.64801788330078	160.0
85.89685821533203	144.0
86.01495361328125	160.0
86.08880615234375	140.0
86.30870056152344	144.0
86.41239166259766	132.0
86.58071899414062	220.0
86.73635864257812	152.0
87.24312591552734	164.0
87.40493774414062	216.0
87.48030090332031	172.0
87.7140884399414	156.0
87.77748107910156	140.0
87.83528900146484	156.0
88.0443344116211	144.0
88.20500946044922	224.0
88.2336196899414	172.0
88.27792358398438	164.0
88.4356689453125	164.0
88.73104858398438	156.0
88.79449462890625	196.0
88.82481384277344	156.0
88.88297271728516	148.0
88.95365905761719	144.0
89.00309753417969	188.0
89.08385467529297	172.0
89.36021423339844	228.0
89.56346893310547	144.0
89.759521484375	160.0
89.82364654541016	172.0
89.95573425292969	180.0
89.99915313720703	148.0
90.31475067138672	236.0
90.39799499511719	168.0
90.4490966796875	216.0
90.50588989257812	164.0
90.63468933105469	140.0
90.79771423339844	184.0
90.91343688964844	212.0
91.05415344238281	2012.0
91.08680725097656	128.0
91.12040710449219	156.0
91.1523208618164	156.0
91.25724792480469	208.0
91.2895736694336	192.0
91.32380676269531	140.0
91.56361389160156	156.0
91.68553924560547	180.0
91.74163055419922	172.0
92.01744079589844	148.0
92.06059265136719	160.0
92.08537292480469	216.0
92.14405059814453	156.0
92.38436889648438	200.0
92.42742156982422	144.0
92.50684356689453	188.0
92.5853500366211	240.0
92.66771697998047	208.0
92.71369934082031	152.0
92.77120208740234	152.0
92.81529998779297	140.0
93.03288269042969	192.0
93.07049560546875	216.0
93.33757781982422	144.0
93.45875549316406	148.0
93.47222900390625	192.0
93.5742416381836	184.0
93.78421020507812	164.0
93.84782409667969	164.0
94.30534362792969	208.0
94.36140441894531	156.0
94.38653564453125	148.0
94.45035552978516	236.0
94.50839233398438	148.0
94.5548324584961	164.0
94.60128784179688	168.0
94.65937042236328	228.0
94.7523422241211	192.0
94.8332290649414	140.0
94.93842315673828	152.0
95.06497955322266	184.0
95.19263458251953	144.0
95.29364013671875	160.0
95.48413848876953	196.0
95.5813980102539	160.0
95.67871856689453	172.0
95.84037017822266	212.0
96.08592987060547	148.0
96.70352172851562	140.0
96.9150161743164	144.0
97.09518432617188	136.0
97.23464965820312	260.0
97.41921997070312	284.0
97.6751708984375	136.0
97.72591400146484	164.0
97.78101348876953	180.0
97.80265808105469	188.0
97.82164001464844	336.0
97.86164093017578	196.0
97.88140869140625	280.0
97.91739654541016	292.0
97.94353485107422	316.0
97.97279357910156	188.0
98.00688934326172	149328.0
98.05947875976562	508.0
98.1036605834961	164.0
98.12105560302734	188.0
98.15937805175781	120.0
98.24895477294922	124.0
98.30997467041016	164.0
98.33061981201172	972.0
98.41118621826172	240.0
98.4261245727539	144.0
98.50587463378906	152.0
98.59061431884766	116.0
98.82011413574219	112.0
98.96393585205078	176.0
99.0089111328125	6592.0
99.04937744140625	228.0
99.09102630615234	144.0
99.15821075439453	132.0
99.2071304321289	192.0
99.43446350097656	204.0
99.46669006347656	196.0
99.56140899658203	104.0
99.57738494873047	180.0
99.5971908569336	152.0
99.62065124511719	136.0
99.71434020996094	208.0
99.80729675292969	124.0
99.83647918701172	144.0
99.86181640625	124.0
99.93114471435547	164.0
99.97897338867188	200.0
100.00279998779297	6872.0
100.08010864257812	108.0
100.1430892944336	128.0
100.17887878417969	152.0
100.212890625	168.0
100.44400024414062	236.0
100.59165954589844	140.0
100.66752624511719	152.0
100.7986831665039	116.0
101.0048599243164	668.0
101.02556610107422	176.0
101.04329681396484	232.0
101.11333465576172	152.0
101.2354507446289	148.0
101.43580627441406	312.0
101.4598617553711	180.0
101.5380630493164	180.0
101.57506561279297	124.0
101.60224914550781	196.0
101.6683349609375	188.0
101.75659942626953	132.0
101.8310775756836	172.0
102.0002670288086	256.0
102.08229064941406	204.0
102.16072845458984	252.0
102.17481231689453	168.0
102.47732543945312	200.0
102.5553970336914	172.0
103.02555847167969	156.0
103.05381774902344	796.0
103.10362243652344	352.0
103.12533569335938	168.0
103.1771240234375	144.0
103.52224731445312	196.0
103.81087493896484	148.0
103.89530944824219	140.0
104.05638885498047	152.0
104.09293365478516	200.0
104.12136840820312	156.0
104.24732208251953	148.0
104.3713150024414	140.0
104.45063018798828	244.0
104.49945068359375	212.0
104.62359619140625	140.0
104.73763275146484	172.0
104.84353637695312	180.0
104.92919158935547	208.0
105.07115173339844	1636.0
105.1045913696289	148.0
105.24339294433594	176.0
105.78544616699219	172.0
105.99542999267578	120.0
106.07194519042969	200.0
106.16215515136719	140.0
106.30985260009766	152.0
106.34474182128906	196.0
106.4001693725586	176.0
106.60762023925781	172.0
107.0318832397461	144.0
107.07244110107422	280.0
107.16524505615234	140.0
107.33838653564453	192.0
107.3816909790039	148.0
107.480712890625	176.0
107.5735855102539	184.0
107.68508911132812	148.0
108.00033569335938	188.0
108.02037811279297	240.0
108.13970947265625	244.0
108.42208099365234	192.0
108.4817123413086	296.0
108.97356414794922	236.0
109.0899429321289	284.0
109.20846557617188	140.0
109.26670837402344	148.0
109.32496643066406	180.0
109.37908172607422	180.0
109.48665618896484	132.0
109.50970458984375	212.0
109.57099914550781	152.0
109.61344909667969	172.0
110.12971496582031	224.0
110.43160247802734	128.0
110.7006607055664	144.0
110.76034545898438	112.0
111.07371520996094	148.0
111.21639251708984	152.0
111.39277648925781	148.0
111.58611297607422	272.0
111.67022705078125	220.0
111.88275146484375	148.0
111.90380859375	148.0
111.99646759033203	164.0
112.02384948730469	184.0
112.0954818725586	160.0
112.5975570678711	148.0
112.70740509033203	220.0
112.7327651977539	200.0
112.76446533203125	220.0
112.83210754394531	224.0
113.04286193847656	440.0
113.3231201171875	184.0
113.3718490600586	228.0
113.46087646484375	156.0
113.69631958007812	156.0
114.0148696899414	180.0
114.03041076660156	232.0
114.15092468261719	156.0
114.73644256591797	216.0
114.8132095336914	200.0
114.93266296386719	140.0
115.03091430664062	272.0
115.05447387695312	1484.0
115.08567810058594	592.0
115.26242065429688	156.0
115.5181655883789	144.0
115.82546997070312	168.0
115.90341186523438	184.0
116.0164566040039	1264.0
116.06340789794922	148.0
116.08887481689453	140.0
116.43326568603516	188.0
116.45903778076172	356.0
116.53572082519531	132.0
116.70186614990234	160.0
116.78358459472656	368.0
117.01909637451172	128.0
117.06949615478516	6660.0
117.17536163330078	172.0
117.49011993408203	156.0
117.51747131347656	160.0
118.00845336914062	192.0
118.07365417480469	836.0
118.28860473632812	120.0
118.32432556152344	192.0
118.36933898925781	208.0
118.43909454345703	168.0
118.60810852050781	140.0
118.62381744384766	196.0
119.00613403320312	124.0
119.05751037597656	148.0
119.075927734375	508.0
119.5367660522461	140.0
119.8533706665039	160.0
119.9732437133789	152.0
120.03211212158203	188.0
120.0807876586914	6304.0
120.30046844482422	196.0
120.42950439453125	168.0
120.57349395751953	168.0
120.8818359375	216.0
121.02371978759766	156.0
121.0861587524414	768.0
121.1095199584961	160.0
121.15990447998047	140.0
121.26069641113281	160.0
121.64015197753906	160.0
121.67088317871094	168.0
121.8751449584961	240.0
121.9279556274414	120.0
121.94546508789062	344.0
122.89898681640625	168.0
122.9696044921875	156.0
123.04685974121094	172.0
123.11418914794922	136.0
123.3694076538086	140.0
123.48217010498047	168.0
123.53746795654297	220.0
123.81925201416016	144.0
123.92515563964844	136.0
124.00467681884766	144.0
124.03570556640625	144.0
124.0955581665039	180.0
124.47053527832031	160.0
124.74825286865234	180.0
125.08737182617188	160.0
125.10746765136719	140.0
125.1942367553711	152.0
125.50297546386719	156.0
125.77291107177734	176.0
126.11097717285156	152.0
126.2689208984375	188.0
126.41657257080078	284.0
126.43894958496094	164.0
126.46139526367188	132.0
126.50492095947266	120.0
126.60013580322266	196.0
126.77262878417969	180.0
127.05241394042969	240.0
127.0876235961914	188.0
127.1089859008789	156.0
127.22120666503906	156.0
127.30428314208984	148.0
127.98110961914062	148.0
128.0103759765625	140.0
128.06129455566406	1140.0
128.09371948242188	168.0
128.1477813720703	144.0
128.1793212890625	176.0
128.43858337402344	140.0
128.61233520507812	160.0
128.6619873046875	176.0
129.06935119628906	3508.0
129.10142517089844	628.0
129.1365203857422	148.0
129.49913024902344	220.0
129.53941345214844	244.0
129.8567352294922	152.0
130.07098388671875	316.0
130.1040802001953	232.0
130.35618591308594	252.0
130.45619201660156	160.0
131.0374755859375	536.0
131.08627319335938	2140.0
131.14817810058594	144.0
131.2621612548828	176.0
131.38304138183594	144.0
131.54049682617188	172.0
131.58843994140625	148.0
131.65008544921875	208.0
131.70262145996094	184.0
131.79171752929688	148.0
131.99514770507812	188.0
132.056884765625	172.0
132.0810546875	1084.0
132.12322998046875	156.0
132.26510620117188	152.0
132.79437255859375	168.0
132.88613891601562	240.0
132.92054748535156	184.0
133.0652313232422	604.0
133.08644104003906	540.0
133.11566162109375	152.0
133.27874755859375	160.0
133.43963623046875	176.0
133.45803833007812	172.0
133.50172424316406	172.0
133.58682250976562	160.0
133.88143920898438	124.0
133.92288208007812	156.0
134.05650329589844	156.0
134.0975341796875	708.0
134.5454864501953	224.0
134.60813903808594	152.0
134.6603546142578	172.0
135.13482666015625	268.0
135.47195434570312	240.0
135.5145263671875	164.0
135.75559997558594	216.0
135.93421936035156	204.0
136.05026245117188	168.0
136.22210693359375	160.0
136.52658081054688	164.0
136.73130798339844	188.0
136.81976318359375	152.0
137.0526580810547	188.0
137.2717742919922	156.0
137.3673858642578	152.0
137.51319885253906	164.0
137.82180786132812	156.0
138.0347900390625	100.0
138.06439208984375	148.0
138.12188720703125	156.0
138.40892028808594	160.0
138.5062255859375	120.0
138.5408935546875	180.0
138.59388732910156	168.0
138.65570068359375	188.0
138.79635620117188	188.0
139.0397186279297	140.0
139.0646514892578	164.0
139.09423828125	152.0
139.23959350585938	132.0
139.4771728515625	148.0
139.54000854492188	204.0
139.59974670410156	148.0
139.74273681640625	160.0
139.7598114013672	152.0
139.8119354248047	160.0
139.86636352539062	176.0
139.88307189941406	264.0
139.9102325439453	236.0
139.9368896484375	240.0
139.9818878173828	332.0
140.00189208984375	160.0
140.02952575683594	448.0
140.05380249023438	212176.0
140.1437530517578	172.0
140.20555114746094	200.0
140.25230407714844	172.0
140.3123016357422	288.0
140.34075927734375	120.0
140.365966796875	180.0
140.38478088378906	168.0
140.44049072265625	676.0
140.52154541015625	116.0
140.55657958984375	172.0
140.6070556640625	116.0
140.63406372070312	100.0
140.66058349609375	200.0
140.78477478027344	144.0
140.80665588378906	120.0
140.9116973876953	284.0
141.01766967773438	144.0
141.05601501464844	20368.0
141.1178436279297	144.0
141.53199768066406	148.0
141.72633361816406	136.0
141.7570343017578	156.0
141.7996826171875	144.0
141.84609985351562	96.0
141.88040161132812	136.0
141.90733337402344	268.0
141.9930419921875	144.0
142.02508544921875	132.0
142.04991149902344	8948.0
142.14573669433594	376.0
142.23446655273438	216.0
142.2539825439453	96.0
142.2777557373047	128.0
142.39927673339844	100.0
142.56385803222656	144.0
142.87771606445312	192.0
142.98910522460938	140.0
143.0521240234375	1080.0
143.08152770996094	2180.0
143.16636657714844	132.0
143.18310546875	108.0
143.22288513183594	160.0
143.8762664794922	144.0
143.90968322753906	208.0
144.08294677734375	1232.0
144.1389923095703	160.0
144.1628875732422	152.0
144.26087951660156	140.0
144.8443603515625	172.0
145.06411743164062	248.0
145.0835723876953	524.0
145.09877014160156	440.0
145.48536682128906	160.0
145.93907165527344	180.0
146.05999755859375	604.0
146.09628295898438	2392.0
147.0720977783203	456.0
147.10165405273438	624.0
147.17718505859375	136.0
147.26930236816406	160.0
148.0837860107422	164.0
148.11318969726562	300.0
148.7341766357422	156.0
149.02316284179688	200.0
149.1044921875	248.0
149.2176055908203	148.0
149.3367462158203	160.0
150.04818725585938	176.0
150.0907745361328	1432.0
150.11849975585938	236.0
150.3209686279297	156.0
150.57386779785156	108.0
150.68894958496094	136.0
150.97549438476562	120.0
151.05880737304688	164.0
151.09974670410156	196.0
151.24644470214844	124.0
151.27415466308594	176.0
151.3941192626953	184.0
151.47740173339844	192.0
152.06275939941406	152.0
152.43345642089844	180.0
153.0711669921875	292.0
153.100830078125	188.0
153.27578735351562	184.0
153.84197998046875	116.0
154.0599822998047	132.0
154.09494018554688	176.0
154.18389892578125	200.0
154.52305603027344	172.0
155.08580017089844	1808.0
155.5362091064453	204.0
155.6280517578125	164.0
155.91123962402344	176.0
156.0821990966797	428.0
156.3165740966797	152.0
156.5135040283203	144.0
156.5460968017578	100.0
157.09613037109375	340.0
157.58961486816406	180.0
157.61322021484375	140.0
157.97283935546875	128.0
158.0634307861328	1344.0
158.09539794921875	3832.0
158.61427307128906	168.0
158.95033264160156	152.0
158.99874877929688	152.0
159.0222930908203	864.0
159.07452392578125	384.0
159.10302734375	1480.0
159.14862060546875	152.0
159.1787567138672	148.0
160.06329345703125	140.0
160.11346435546875	420.0
160.3334197998047	148.0
160.87823486328125	156.0
161.03775024414062	128.0
161.10696411132812	124.0
161.24598693847656	164.0
161.26683044433594	156.0
161.6397247314453	148.0
162.04421997070312	184.0
162.07403564453125	152.0
162.08795166015625	180.0
162.13784790039062	140.0
162.16065979003906	156.0
162.42942810058594	200.0
163.00318908691406	144.0
163.05833435058594	144.0
163.58306884765625	172.0
163.6976318359375	152.0
163.7154541015625	196.0
163.95925903320312	172.0
164.06959533691406	560.0
164.10531616210938	140.0
164.14356994628906	156.0
164.81488037109375	156.0
165.07130432128906	396.0
165.1103057861328	148.0
165.22906494140625	148.0
165.71038818359375	208.0
166.04147338867188	148.0
166.0757598876953	280.0
166.1106414794922	124.0
166.287353515625	144.0
166.9193115234375	224.0
166.9835968017578	252.0
167.08425903320312	500.0
167.38247680664062	148.0
167.42625427246094	140.0
167.7328643798828	168.0
167.96234130859375	172.0
167.99072265625	160.0
168.08258056640625	364.0
168.41404724121094	164.0
168.76808166503906	160.0
169.07913208007812	6364.0
169.43841552734375	184.0
169.5057830810547	156.0
169.8039093017578	176.0
170.08535766601562	824.0
170.21778869628906	172.0
170.61691284179688	152.0
170.73045349121094	176.0
170.8064727783203	188.0
170.92169189453125	224.0
170.9790802001953	188.0
171.0235137939453	424.0
171.05393981933594	420.0
171.09547424316406	122988.0
171.340576171875	140.0
171.3801727294922	112.0
171.5321044921875	120.0
171.6278839111328	224.0
171.73243713378906	112.0
171.97116088867188	140.0
171.99813842773438	144.0
172.03277587890625	212.0
172.09764099121094	9748.0
172.1633758544922	200.0
172.34188842773438	216.0
172.5531005859375	336.0
172.80331420898438	144.0
173.0404815673828	428.0
173.09033203125	2744.0
173.13270568847656	184.0
173.17355346679688	136.0
173.2349853515625	132.0
173.29576110839844	120.0
173.32745361328125	160.0
173.39149475097656	124.0
173.51348876953125	112.0
174.04441833496094	240.0
174.09249877929688	308.0
174.29403686523438	140.0
174.4029541015625	108.0
174.53585815429688	156.0
175.05160522460938	152.0
175.0915985107422	128.0
175.1181182861328	276.0
175.20436096191406	200.0
175.4204559326172	172.0
175.66831970214844	140.0
175.77590942382812	108.0
176.072021484375	224.0
176.10665893554688	1480.0
177.0453643798828	236.0
177.10714721679688	148.0
177.26524353027344	212.0
178.03453063964844	168.0
179.08786010742188	284.0
179.8665771484375	184.0
180.07681274414062	292.0
180.1013641357422	108.0
181.09898376464844	408.0
181.1617889404297	160.0
181.21946716308594	144.0
182.10202026367188	340.0
182.21214294433594	144.0
182.30026245117188	136.0
182.81443786621094	176.0
183.0814666748047	148.0
183.22349548339844	152.0
183.55252075195312	152.0
183.8175506591797	112.0
184.07708740234375	524.0
184.29209899902344	156.0
184.6326904296875	164.0
184.98443603515625	164.0
185.04129028320312	148.0
185.09002685546875	192.0
185.126708984375	132.0
185.22813415527344	168.0
185.2534637451172	196.0
186.039306640625	404.0
186.09051513671875	176.0
187.0528106689453	140.0
187.1236572265625	184.0
187.73129272460938	184.0
187.8131103515625	140.0
188.00408935546875	160.0
188.05255126953125	2640.0
188.129638671875	176.0
188.32077026367188	216.0
188.56939697265625	160.0
188.6377410888672	144.0
188.88656616210938	292.0
189.0541229248047	808.0
189.07423400878906	148.0
189.740966796875	156.0
189.91647338867188	188.0
190.0723114013672	528.0
190.1222381591797	156.0
190.73056030273438	128.0
190.93540954589844	156.0
191.00637817382812	144.0
191.09085083007812	204.0
192.08438110351562	100.0
192.150146484375	200.0
192.16946411132812	152.0
192.95242309570312	188.0
193.09036254882812	252.0
193.49884033203125	140.0
193.889404296875	140.0
193.97256469726562	152.0
194.09930419921875	584.0
194.30810546875	144.0
195.81471252441406	208.0
196.0193328857422	192.0
196.09854125976562	160.0
196.3358612060547	192.0
196.38893127441406	156.0
196.43966674804688	128.0
196.52374267578125	176.0
196.5785675048828	140.0
196.64976501464844	148.0
196.788818359375	160.0
196.8428192138672	184.0
196.91786193847656	172.0
196.9412384033203	144.0
197.02471923828125	176.0
197.0448455810547	340.0
197.0747833251953	134800.0
197.2034149169922	112.0
197.26930236816406	264.0
197.33901977539062	160.0
197.42254638671875	220.0
197.47268676757812	140.0
197.52957153320312	104.0
197.57861328125	156.0
197.6687469482422	124.0
197.70925903320312	124.0
197.88502502441406	128.0
197.9420166015625	204.0
197.99481201171875	96.0
198.07777404785156	13604.0
198.1404571533203	124.0
198.16915893554688	120.0
198.24392700195312	96.0
198.41371154785156	140.0
198.46490478515625	96.0
198.593505859375	172.0
198.63307189941406	164.0
198.7496337890625	104.0
198.92507934570312	248.0
199.07029724121094	3744.0
199.17173767089844	116.0
199.2554168701172	124.0
199.31112670898438	200.0
199.43592834472656	148.0
199.52288818359375	140.0
199.63243103027344	96.0
199.70254516601562	124.0
199.8513641357422	236.0
199.95404052734375	116.0
200.06895446777344	416.0
200.16766357421875	152.0
200.36659240722656	152.0
200.96153259277344	128.0
201.0697479248047	108.0
201.33407592773438	176.0
201.43011474609375	152.0
201.46400451660156	160.0
201.66180419921875	156.0
201.8653564453125	152.0
202.02374267578125	148.0
202.06869506835938	564.0
202.12269592285156	172.0
202.85345458984375	156.0
203.07302856445312	340.0
203.58546447753906	164.0
203.66781616210938	152.0
204.08738708496094	144.0
204.6512451171875	196.0
205.10284423828125	280.0
205.44300842285156	172.0
205.58673095703125	204.0
206.10267639160156	140.0
206.18447875976562	116.0
206.3685760498047	140.0
206.51522827148438	156.0
207.12298583984375	192.0
207.31971740722656	152.0
207.54617309570312	212.0
207.76988220214844	144.0
207.86456298828125	140.0
208.77027893066406	148.0
210.00494384765625	144.0
210.2905731201172	152.0
210.3800506591797	180.0
210.9816131591797	152.0
211.05178833007812	136.0
211.1258544921875	1276.0
211.5913543701172	180.0
212.05279541015625	132.0
212.12803649902344	320.0
212.98329162597656	160.0
213.05848693847656	284.0
213.33779907226562	180.0
213.5907745361328	164.0
214.06771850585938	548.0
214.1046142578125	160.0
214.15794372558594	968.0
215.08055114746094	268.0
215.15650939941406	288.0
216.08204650878906	528.0
216.12478637695312	168.0
216.1639862060547	152.0
217.0796661376953	2812.0
217.1358642578125	260.0
217.2832489013672	148.0
217.6383819580078	180.0
218.08506774902344	788.0
218.13845825195312	180.0
218.2239990234375	148.0
218.47061157226562	140.0
218.59661865234375	168.0
218.7849884033203	144.0
219.0087890625	196.0
219.14657592773438	180.0
220.12355041503906	176.0
221.0902099609375	144.0
221.11280822753906	176.0
221.5017547607422	172.0
222.06491088867188	192.0
222.12600708007812	156.0
222.89019775390625	164.0
223.07742309570312	172.0
223.14283752441406	140.0
223.70509338378906	144.0
224.3843231201172	140.0
224.47079467773438	140.0
225.05860900878906	164.0
225.13995361328125	328.0
225.17967224121094	104.0
225.37521362304688	176.0
226.0001220703125	164.0
226.0663604736328	784.0
226.1040496826172	328.0
226.85365295410156	204.0
226.97657775878906	164.0
227.25640869140625	200.0
227.55865478515625	148.0
228.04656982421875	132.0
228.08323669433594	420.0
228.58963012695312	168.0
228.77001953125	196.0
229.0865020751953	392.0
229.1345977783203	140.0
229.1656036376953	208.0
229.7405548095703	140.0
230.06442260742188	140.0
230.72203063964844	140.0
230.86717224121094	148.0
231.1140594482422	360.0
232.0767364501953	276.0
232.12310791015625	216.0
232.1754150390625	144.0
232.59715270996094	152.0
233.1320037841797	2388.0
233.69117736816406	156.0
233.9437713623047	148.0
234.01988220214844	184.0
234.135009765625	372.0
234.1656951904297	168.0
235.2515411376953	144.0
235.33702087402344	196.0
236.156005859375	152.0
236.22023010253906	148.0
237.0591278076172	156.0
237.11766052246094	164.0
237.34420776367188	156.0
237.6785430908203	176.0
238.14208984375	156.0
238.32640075683594	168.0
238.49542236328125	148.0
238.9167022705078	164.0
239.08236694335938	180.0
239.11669921875	144.0
239.16677856445312	148.0
239.4184112548828	172.0
240.05322265625	196.0
240.08731079101562	332.0
240.17230224609375	248.0
240.93905639648438	156.0
241.08413696289062	176.0
241.2604522705078	172.0
241.33465576171875	172.0
241.52947998046875	140.0
242.0458526611328	136.0
242.1392059326172	152.0
242.5251007080078	108.0
243.0942840576172	776.0
243.56797790527344	164.0
243.90773010253906	148.0
245.0093231201172	148.0
245.12799072265625	1640.0
246.0909881591797	280.0
246.1331024169922	396.0
246.391357421875	148.0
246.94464111328125	140.0
247.09152221679688	696.0
247.13046264648438	172.0
247.17926025390625	236.0
247.58409118652344	124.0
247.79608154296875	180.0
248.1062469482422	276.0
248.14373779296875	2572.0
248.17918395996094	196.0
248.94912719726562	172.0
249.06028747558594	140.0
249.146728515625	940.0
249.18008422851562	268.0
249.3030548095703	132.0
249.43455505371094	176.0
249.90484619140625	144.0
249.92794799804688	180.0
249.9745635986328	212.0
250.0059356689453	172.0
250.07830810546875	304.0
250.10733032226562	168.0
250.15953063964844	76888.0
250.27407836914062	104.0
250.4099884033203	128.0
250.52664184570312	100.0
250.64154052734375	124.0
250.67333984375	160.0
250.75465393066406	184.0
250.93064880371094	136.0
250.97682189941406	176.0
251.1620635986328	15940.0
251.25022888183594	260.0
251.51943969726562	152.0
251.56520080566406	128.0
251.61886596679688	120.0
251.7088623046875	168.0
252.08070373535156	212.0
252.16476440429688	1464.0
252.41629028320312	168.0
252.83563232421875	136.0
252.88038635253906	268.0
253.01971435546875	120.0
253.09486389160156	132.0
253.16876220703125	380.0
253.226806640625	140.0
254.13796997070312	120.0
254.70484924316406	168.0
255.0543670654297	156.0
255.08995056152344	260.0
255.14373779296875	276.0
256.10296630859375	276.0
257.1111145019531	148.0
257.12054443359375	220.0
257.1646423339844	212.0
257.3065490722656	164.0
257.43109130859375	140.0
258.1372985839844	144.0
258.2044372558594	164.0
258.32598876953125	184.0
259.1240539550781	208.0
260.0434265136719	148.0
260.1431884765625	360.0
260.2435607910156	172.0
260.8014221191406	148.0
261.0633239746094	112.0
261.1284484863281	180.0
261.9999694824219	172.0
262.1584167480469	760.0
262.575439453125	148.0
263.10137939453125	232.0
263.13043212890625	148.0
263.1666564941406	144.0
263.8023986816406	140.0
263.82501220703125	220.0
265.1738586425781	168.0
265.4338684082031	148.0
265.8785705566406	160.0
266.15228271484375	3228.0
266.339599609375	140.0
266.6332092285156	140.0
266.66680908203125	136.0
266.7703552246094	120.0
267.11846923828125	272.0
267.1573181152344	720.0
267.186279296875	1664.0
267.2381286621094	160.0
267.5539245605469	112.0
267.603515625	120.0
267.643310546875	104.0
267.8360290527344	156.0
267.8742370605469	116.0
267.9678039550781	208.0
268.00775146484375	144.0
268.04833984375	120.0
268.0553894042969	244.0
268.072021484375	172.0
268.0799255371094	228.0
268.14886474609375	88676.0
268.27447509765625	148.0
268.2988586425781	284.0
268.3420715332031	140.0
268.450439453125	140.0
268.5559997558594	268.0
268.5992431640625	96.0
268.6300354003906	104.0
268.6814880371094	120.0
268.70916748046875	140.0
268.7419738769531	100.0
268.8577880859375	132.0
269.0265197753906	100.0
269.09503173828125	212.0
269.1513671875	14540.0
269.3077697753906	140.0
269.6749572753906	192.0
269.71728515625	272.0
269.8052978515625	140.0
269.9777526855469	328.0
270.0243225097656	144.0
270.1445617675781	3940.0
270.231201171875	160.0
270.2548522949219	140.0
270.5522766113281	96.0
270.58978271484375	144.0
270.7425231933594	216.0
270.8351745605469	104.0
270.8691101074219	128.0
270.9297180175781	188.0
271.01275634765625	100.0
271.0679016113281	144.0
271.1458740234375	820.0
271.2315368652344	100.0
271.33892822265625	144.0
271.86578369140625	120.0
271.96600341796875	104.0
272.0998229980469	224.0
272.1493225097656	280.0
272.2970886230469	152.0
272.5040283203125	204.0
272.82427978515625	108.0
273.074462890625	324.0
273.1131896972656	132.0
273.1533508300781	196.0
274.1065673828125	164.0
274.1591491699219	144.0
274.2151794433594	148.0
274.6206970214844	160.0
275.0841979980469	428.0
275.3005676269531	204.0
275.9746398925781	160.0
276.08685302734375	128.0
276.1361999511719	2652.0
276.1961975097656	168.0
276.2376403808594	136.0
276.4598693847656	116.0
276.5458679199219	100.0
276.6206359863281	652.0
276.8581237792969	156.0
277.13934326171875	480.0
277.1719055175781	240.0
278.1540832519531	692.0
278.30859375	144.0
278.40350341796875	152.0
278.4699401855469	192.0
278.755615234375	148.0
279.1564636230469	412.0
280.16131591796875	336.0
282.4028015136719	160.0
282.6336364746094	184.0
283.1123046875	200.0
283.1424560546875	176.0
283.3859558105469	172.0
283.75653076171875	176.0
283.83099365234375	124.0
283.9031677246094	144.0
284.03839111328125	100.0
284.14227294921875	176.0
284.32586669921875	156.0
284.4511413574219	160.0
284.50238037109375	260.0
284.67816162109375	140.0
284.7698974609375	232.0
284.8340759277344	144.0
284.8954162597656	160.0
285.05718994140625	296.0
285.1204528808594	204.0
285.1531677246094	204.0
285.1968078613281	107516.0
285.3233642578125	212.0
285.3904724121094	136.0
285.6163330078125	188.0
285.74822998046875	296.0
285.8533630371094	96.0
285.905517578125	100.0
285.9451904296875	172.0
285.98077392578125	96.0
286.1217346191406	124.0
286.1561584472656	544.0
286.1991271972656	17012.0
286.3181457519531	124.0
286.4122009277344	168.0
286.4598693847656	116.0
286.5491638183594	176.0
286.6910705566406	144.0
286.7527160644531	188.0
286.77764892578125	176.0
286.860107421875	104.0
286.9381408691406	132.0
287.158447265625	148.0
287.20306396484375	1736.0
287.547607421875	96.0
287.5821533203125	160.0
287.658203125	156.0
287.8262023925781	340.0
287.9053955078125	136.0
287.9585266113281	212.0
288.0767517089844	132.0
288.1293640136719	100.0
288.20098876953125	360.0
288.33184814453125	248.0
288.37408447265625	184.0
289.0994567871094	904.0
289.32769775390625	96.0
289.7628173828125	96.0
289.79534912109375	144.0
290.1022644042969	284.0
290.97222900390625	188.0
291.07989501953125	376.0
291.1450500488281	124.0
291.3729553222656	196.0
292.08056640625	368.0
292.11920166015625	140.0
292.8288269042969	152.0
293.1572570800781	124.0
293.4865417480469	320.0
293.6127014160156	180.0
293.9538269042969	180.0
294.1504821777344	880.0
294.607421875	152.0
294.6674499511719	144.0
294.8622131347656	152.0
295.07415771484375	148.0
295.10321044921875	184.0
295.1795654296875	1316.0
295.3734436035156	100.0
295.4236755371094	116.0
295.6529846191406	164.0
295.68890380859375	100.0
295.7439270019531	208.0
295.78692626953125	100.0
295.8446044921875	172.0
295.9256591796875	140.0
296.0142822265625	156.0
296.0629577636719	164.0
296.1438903808594	117372.0
296.23309326171875	220.0
296.39410400390625	196.0
296.49627685546875	112.0
296.5386657714844	216.0
296.58984375	312.0
296.63671875	96.0
296.6692810058594	132.0
296.7063293457031	740.0
296.7503356933594	112.0
296.91741943359375	140.0
296.9307556152344	140.0
297.0032653808594	176.0
297.0623779296875	168.0
297.1456604003906	20120.0
297.5442199707031	216.0
297.60894775390625	116.0
297.69549560546875	100.0
297.81982421875	100.0
297.87615966796875	124.0
298.0014343261719	248.0
298.0957946777344	112.0
298.14019775390625	6556.0
298.2815856933594	172.0
298.5301513671875	116.0
298.80767822265625	176.0
298.90191650390625	180.0
299.14288330078125	928.0
299.23486328125	336.0
299.2933044433594	124.0
299.3519592285156	100.0
299.4232482910156	260.0
299.4602355957031	148.0
299.5414733886719	116.0
299.7575988769531	96.0
300.1393737792969	336.0
300.2078857421875	96.0
300.2913513183594	108.0
301.0994873046875	528.0
301.1718444824219	184.0
301.3680419921875	120.0
301.9272155761719	164.0
302.10235595703125	324.0
302.1658935546875	164.0
302.3612060546875	136.0
304.11468505859375	176.0
304.2019348144531	432.0
305.127685546875	188.0
305.1661376953125	140.0
305.2091064453125	296.0
305.3502197265625	208.0
308.2261962890625	140.0
308.3585205078125	120.0
308.4411926269531	132.0
309.15850830078125	280.0
309.5309143066406	156.0
309.63946533203125	164.0
309.7781066894531	172.0
310.1627197265625	188.0
310.7962951660156	180.0
311.1191711425781	156.0
311.17535400390625	5652.0
312.17852783203125	1112.0
313.16888427734375	132.0
313.2255554199219	152.0
315.1053771972656	128.0
315.1929016113281	160.0
315.33905029296875	176.0
315.36376953125	184.0
316.13897705078125	312.0
317.1830749511719	200.0
318.1337585449219	516.0
318.1838073730469	424.0
319.1078186035156	256.0
319.2174072265625	144.0
319.4794616699219	112.0
320.1175842285156	120.0
320.1426086425781	160.0
320.1817932128906	156.0
321.1593322753906	268.0
322.1466979980469	112.0
323.616943359375	144.0
324.1685485839844	156.0
326.94085693359375	148.0
327.1680603027344	128.0
327.7655029296875	152.0
329.1094665527344	112.0
329.18426513671875	4892.0
330.12890625	696.0
330.1866455078125	912.0
330.58929443359375	140.0
331.13421630859375	300.0
331.1858825683594	188.0
331.2158203125	204.0
331.4257507324219	188.0
332.12872314453125	120.0
332.2012634277344	128.0
332.24835205078125	188.0
332.4611511230469	112.0
335.3103942871094	152.0
336.61639404296875	184.0
337.186279296875	224.0
337.2228088378906	152.0
337.3288269042969	148.0
338.162109375	132.0
339.1666564941406	2012.0
339.3411865234375	208.0
339.66912841796875	720.0
339.7457275390625	192.0
340.17303466796875	472.0
341.6854553222656	140.0
342.1418151855469	152.0
344.1786193847656	180.0
345.13629150390625	108.0
345.1808166503906	160.0
345.2522888183594	148.0
345.78131103515625	160.0
346.2267150878906	532.0
347.1575927734375	9144.0
347.21441650390625	1524.0
347.41668701171875	124.0
347.84783935546875	96.0
347.9014892578125	144.0
348.1563415527344	2640.0
348.20355224609375	268.0
348.5811767578125	200.0
349.1546630859375	828.0
349.22662353515625	608.0
349.585205078125	152.0
349.7973327636719	208.0
350.1349182128906	164.0
350.2188720703125	128.0
351.1434326171875	132.0
354.1570129394531	140.0
354.28594970703125	140.0
355.1368408203125	168.0
357.1521911621094	156.0
357.1986389160156	144.0
357.5300598144531	180.0
358.155029296875	140.0
358.19793701171875	164.0
358.5242614746094	140.0
358.94647216796875	148.0
359.0708923339844	148.0
359.1294250488281	256.0
359.2110290527344	108.0
359.4692687988281	148.0
360.2079772949219	108.0
361.1633605957031	14440.0
361.3592224121094	96.0
361.4976501464844	160.0
361.66302490234375	4904.0
361.8636779785156	156.0
361.9466857910156	152.0
362.0181579589844	96.0
362.1219482421875	256.0
362.1630554199219	2264.0
362.2079772949219	140.0
362.33441162109375	100.0
362.3670959472656	152.0
362.42626953125	104.0
362.6633605957031	1040.0
363.0517883300781	152.0
363.1562194824219	484.0
363.2109069824219	156.0
363.3663024902344	208.0
364.1843566894531	648.0
364.7365417480469	104.0
365.1679992675781	5604.0
365.4576416015625	140.0
365.7257080078125	108.0
366.019775390625	116.0
366.1699523925781	2060.0
366.25244140625	564.0
367.1692810058594	196.0
367.2480773925781	240.0
367.61431884765625	180.0
368.1907653808594	160.0
368.4513854980469	140.0
368.5322570800781	112.0
370.14105224609375	140.0
373.1336975097656	232.0
373.3298645019531	156.0
374.21575927734375	444.0
375.1531677246094	380.0
375.206298828125	3348.0
375.710205078125	208.0
376.1334533691406	96.0
376.2059631347656	1064.0
376.3722229003906	128.0
377.21673583984375	156.0
377.25103759765625	208.0
380.4858093261719	172.0
381.43365478515625	164.0
382.1933898925781	5024.0
383.19757080078125	828.0
384.1976623535156	444.0
385.1949157714844	252.0
385.31109619140625	144.0
386.245361328125	136.0
386.2962341308594	188.0
386.6209716796875	144.0
388.0350036621094	148.0
389.20068359375	156.0
389.23956298828125	164.0
390.216552734375	328.0
391.1460876464844	356.0
391.2271728515625	120.0
391.38909912109375	116.0
392.1499938964844	204.0
392.1844482421875	524.0
392.2322082519531	10104.0
393.0261535644531	148.0
393.1197814941406	148.0
393.1752624511719	364.0
393.2336730957031	2900.0
394.15936279296875	144.0
394.2414245605469	356.0
394.5836181640625	144.0
395.23504638671875	100.0
397.52520751953125	176.0
399.762451171875	192.0
399.9853210449219	172.0
401.20574951171875	108.0
402.1960144042969	172.0
403.3319091796875	204.0
404.2275695800781	148.0
406.239013671875	176.0
406.2924499511719	140.0
408.17169189453125	3764.0
408.2210998535156	124.0
408.55291748046875	168.0
409.1683349609375	560.0
409.5808410644531	168.0
409.7527770996094	100.0
409.86541748046875	160.0
410.02801513671875	128.0
410.07989501953125	180.0
410.1807861328125	532.0
410.2433776855469	40548.0
410.7637634277344	156.0
410.9285583496094	124.0
411.0840759277344	108.0
411.17779541015625	144.0
411.246337890625	11988.0
411.45855712890625	188.0
411.6792907714844	112.0
411.84527587890625	120.0
412.1651916503906	172.0
412.24755859375	1336.0
412.6625061035156	216.0
413.2503967285156	208.0
414.1800537109375	140.0
414.244873046875	140.0
414.4616394042969	100.0
417.10968017578125	176.0
419.30755615234375	160.0
420.2249755859375	832.0
421.2295837402344	124.0
422.2475891113281	376.0
423.3324890136719	116.0
424.0426025390625	124.0
425.2542419433594	140.0
425.3621520996094	152.0
426.1839294433594	19480.0
426.69195556640625	160.0
426.9651794433594	108.0
427.0273742675781	176.0
427.1868591308594	5700.0
427.27325439453125	160.0
428.18310546875	1364.0
428.3091735839844	148.0
429.18621826171875	356.0
430.8528137207031	180.0
434.1472473144531	116.0
435.7463684082031	104.0
436.16943359375	852.0
436.2203063964844	812.0
437.0914611816406	112.0
437.16888427734375	392.0
437.222412109375	512.0
438.1728210449219	104.0
440.15380859375	164.0
442.3236083984375	168.0
443.2349548339844	112.0
443.4042053222656	156.0
446.2297668457031	240.0
446.9905090332031	160.0
451.8764953613281	144.0
451.9780578613281	140.0
454.2191467285156	164.0
454.3294677734375	148.0
455.2377624511719	184.0
455.8513488769531	180.0
462.5539245605469	196.0
463.24652099609375	836.0
464.25946044921875	252.0
465.22772216796875	144.0
470.00177001953125	148.0
470.64056396484375	156.0
471.19287109375	200.0
471.2222595214844	272.0
472.2030334472656	640.0
473.22247314453125	140.0
473.25927734375	116.0
473.5942077636719	192.0
476.8838195800781	132.0
477.1090393066406	156.0
477.2916564941406	156.0
478.20330810546875	164.0
479.8038330078125	148.0
481.2587890625	816.0
481.3614807128906	232.0
482.26763916015625	572.0
483.2398986816406	228.0
483.2696228027344	116.0
483.2835388183594	120.0
485.2205505371094	140.0
487.294189453125	132.0
488.58831787109375	156.0
489.0982971191406	180.0
489.2305603027344	3328.0
490.2286376953125	1540.0
491.2229309082031	568.0
491.364501953125	168.0
492.2163391113281	200.0
495.1063232421875	128.0
498.0998229980469	120.0
499.02020263671875	160.0
506.49139404296875	96.0
506.98980712890625	152.0
507.1449890136719	116.0
507.24200439453125	17492.0
507.4083557128906	108.0
507.50531005859375	156.0
508.2423095703125	3980.0
508.4979553222656	100.0
509.2414245605469	1556.0
510.23858642578125	284.0
511.2505187988281	216.0
511.5486145019531	228.0
516.3765869140625	172.0
518.0917358398438	104.0
518.77001953125	96.0
520.2603149414062	136.0
520.7183837890625	156.0
522.27734375	140.0
525.2532348632812	1304.0
526.2588500976562	332.0
527.2512817382812	348.0
528.0531005859375	116.0
532.7176513671875	148.0
533.214599609375	704.0
534.2251586914062	332.0
535.2216186523438	116.0
536.2099609375	144.0
537.2797241210938	140.0
538.2847900390625	248.0
538.5167846679688	140.0
539.2883911132812	156.0
543.2473754882812	160.0
545.2900390625	112.0
547.53515625	120.0
550.1439208984375	140.0
550.6435546875	164.0
551.2323608398438	1388.0
552.2347412109375	564.0
553.2398681640625	372.0
557.375244140625	148.0
558.322021484375	128.0
558.6446533203125	160.0
560.1886596679688	148.0
561.5980834960938	144.0
562.3190307617188	5184.0
563.322021484375	1928.0
564.2235107421875	140.0
564.3204956054688	664.0
565.3175048828125	268.0
566.310302734375	144.0
566.3482055664062	168.0
567.3006591796875	148.0
570.5382080078125	160.0
570.7498168945312	136.0
572.5721435546875	156.0
573.389404296875	172.0
576.537109375	172.0
577.1892700195312	152.0
577.2554931640625	148.0
577.3784790039062	112.0
577.6388549804688	116.0
578.052978515625	156.0
578.2908325195312	252.0
578.5454711914062	188.0
578.5814819335938	244.0
578.668212890625	116.0
578.7362670898438	100.0
578.8475952148438	112.0
578.9092407226562	156.0
578.9590454101562	96.0
579.0077514648438	252.0
579.083251953125	104.0
579.1197509765625	100.0
579.1558227539062	164.0
579.2763061523438	244.0
579.365966796875	100.0
579.5580444335938	140.0
579.5764770507812	228.0
579.6350708007812	256.0
579.6854858398438	152.0
579.7460327148438	136.0
579.7879028320312	156.0
579.8582763671875	100.0
579.9395141601562	220.0
579.9918212890625	224.0
580.0407104492188	244.0
580.088623046875	148.0
580.1856079101562	248.0
580.3326416015625	143288.0
580.447265625	296.0
580.4979858398438	248.0
580.5551147460938	128.0
580.6497192382812	236.0
580.7827758789062	276.0
580.8873291015625	156.0
580.9744262695312	184.0
581.0150756835938	220.0
581.0665893554688	144.0
581.1234741210938	1116.0
581.1940307617188	120.0
581.2423706054688	228.0
581.3346557617188	51136.0
581.4822998046875	448.0
581.5372314453125	124.0
581.5726928710938	292.0
581.6588745117188	268.0
581.7903442382812	196.0
581.8349609375	120.0
581.8875732421875	120.0
581.9429931640625	148.0
581.9893188476562	180.0
582.1615600585938	136.0
582.2644653320312	372.0
582.3331909179688	14868.0
582.481201171875	156.0
582.6543579101562	112.0
582.7137451171875	156.0
582.8138427734375	124.0
583.0260620117188	236.0
583.2230834960938	168.0
583.333740234375	3380.0
583.5094604492188	100.0
583.5958251953125	176.0
583.7376098632812	152.0
583.95068359375	128.0
584.0018920898438	120.0
584.1546020507812	132.0
584.195068359375	212.0
584.3355102539062	1136.0
584.3927612304688	112.0
584.5590209960938	240.0
584.5978393554688	108.0
584.6456909179688	200.0
584.7161865234375	164.0
584.7949829101562	380.0
584.91455078125	228.0
584.9669189453125	112.0
585.0397338867188	172.0
585.3052368164062	192.0
585.6244506835938	156.0
585.7442016601562	164.0
585.8562622070312	204.0
586.9489135742188	104.0
587.27294921875	116.0
588.811279296875	120.0
589.0066528320312	96.0
589.3736572265625	104.0
595.9395141601562	228.0
598.3167114257812	112.0
606.3199462890625	208.0
607.3021240234375	152.0
614.4170532226562	160.0
625.3243408203125	120.0
639.2107543945312	164.0
671.5215454101562	144.0
688.4769897460938	144.0
708.116943359375	104.0
736.1983642578125	144.0
746.6304321289062	140.0
817.8636474609375	140.0
821.1454467773438	152.0
869.7574462890625	140.0
1059.677978515625	180.0
1065.8873291015625	152.0
1080.54443359375	224.0
1087.27392578125	180.0
1089.440673828125	168.0
1099.541259765625	236.0
1106.0382080078125	168.0
1114.619873046875	168.0
1116.221923828125	204.0
1129.0455322265625	236.0
1129.93310546875	108.0
1133.926025390625	172.0
1135.62890625	176.0
1138.2059326171875	180.0
1141.0614013671875	144.0
1163.00927734375	228.0
1171.86328125	152.0
1173.4512939453125	144.0
1191.1689453125	188.0
1196.0579833984375	152.0
1198.6336669921875	160.0
1206.90966796875	164.0
1209.82470703125	164.0
1217.921630859375	204.0
1218.3800048828125	176.0
1218.810791015625	144.0
1219.762939453125	140.0
1220.6737060546875	148.0
1232.3837890625	204.0
1232.7750244140625	172.0
1238.8551025390625	156.0
1239.2755126953125	164.0
1239.3525390625	176.0
1240.8875732421875	164.0
1246.2918701171875	180.0
1247.964599609375	196.0
1248.3372802734375	148.0
1252.19384765625	144.0
1254.6529541015625	208.0
1255.823486328125	148.0
1256.491455078125	116.0
1263.6505126953125	168.0
1266.4678955078125	168.0
1266.637939453125	160.0
1268.03369140625	180.0
1268.480224609375	196.0
1272.7440185546875	172.0
1274.6334228515625	144.0
1275.2457275390625	148.0
1281.1434326171875	192.0
1288.5343017578125	168.0
1289.39892578125	176.0
1290.09228515625	140.0
1291.529541015625	200.0
1292.0087890625	144.0
1292.6456298828125	176.0
1299.7537841796875	160.0
1301.51953125	140.0
1301.9647216796875	156.0
1302.15869140625	140.0
1305.1121826171875	164.0
1309.03369140625	140.0
1309.4586181640625	168.0
1310.3013916015625	212.0
1312.708740234375	196.0
1313.559814453125	176.0
1314.043212890625	160.0
1315.7247314453125	196.0
1318.0504150390625	156.0
1319.8055419921875	220.0
1323.593017578125	188.0
1324.365966796875	188.0
1325.9888916015625	188.0
1326.8876953125	172.0
1329.4989013671875	208.0
1333.5296630859375	168.0
1339.802001953125	156.0
1347.02392578125	164.0
1347.4622802734375	148.0
1348.66064453125	148.0
1349.910888671875	164.0
1351.885986328125	172.0
1352.99853515625	148.0
1353.9256591796875	152.0
1356.4342041015625	180.0
1357.541259765625	156.0
1358.3553466796875	156.0
1358.6927490234375	152.0
1360.4833984375	264.0
1360.8504638671875	172.0
1360.975341796875	152.0
1361.08544921875	200.0
1361.4378662109375	180.0
1361.555419921875	140.0
1363.4307861328125	108.0
1366.0535888671875	164.0
1367.5694580078125	144.0
1369.07861328125	148.0
1370.35302734375	196.0
1370.9202880859375	272.0
1371.7237548828125	160.0
1371.8416748046875	176.0
1375.0797119140625	156.0
1376.6817626953125	164.0
1377.4793701171875	172.0
1378.144287109375	192.0
1380.783203125	144.0
1382.0777587890625	144.0
1382.7882080078125	212.0
1383.261962890625	148.0
1386.7357177734375	200.0
1388.300048828125	156.0
1388.492919921875	168.0
1390.65185546875	252.0
1390.7706298828125	148.0
1390.8448486328125	140.0
1391.09716796875	268.0
1395.472900390625	208.0
1395.6160888671875	172.0
1396.1591796875	164.0
1396.766845703125	156.0
1398.083740234375	192.0
1398.28466796875	204.0
1399.6097412109375	140.0
1403.4246826171875	180.0
1404.0286865234375	256.0
1404.8118896484375	144.0
1405.30419921875	168.0
1405.3638916015625	172.0
1407.0357666015625	144.0
1407.595703125	144.0
1411.107421875	160.0
1414.9229736328125	152.0
1416.076171875	208.0
1421.4287109375	164.0
1422.952392578125	184.0
1423.7783203125	184.0
1428.9498291015625	188.0
1429.1229248046875	216.0
1429.2808837890625	196.0
1430.342041015625	208.0
1432.0416259765625	192.0
1433.151123046875	176.0
1434.1973876953125	100.0
1434.3116455078125	140.0
1436.596435546875	148.0
1438.505615234375	196.0
1438.784912109375	156.0
1439.9176025390625	228.0
1443.688720703125	184.0
1445.1561279296875	140.0
1446.363525390625	176.0
1447.760009765625	172.0
1448.5155029296875	156.0
1450.6846923828125	148.0
1451.8143310546875	220.0
1453.3087158203125	148.0
1456.89208984375	176.0
1458.404296875	180.0
1458.70068359375	160.0
1460.365966796875	152.0
1460.4267578125	180.0
1463.4097900390625	168.0
1463.6839599609375	176.0
1465.1309814453125	168.0
1466.929443359375	224.0
1467.325927734375	144.0
1467.4326171875	176.0
1468.0753173828125	140.0
1469.530029296875	180.0
1469.5987548828125	152.0
1470.60595703125	140.0
1472.827880859375	184.0
1473.1181640625	156.0
1474.111328125	208.0
1476.787109375	216.0
1476.9095458984375	176.0
1479.9552001953125	204.0
1480.736328125	156.0
1481.655517578125	140.0
1484.989990234375	192.0
1485.8643798828125	164.0
1486.8082275390625	188.0
1487.4605712890625	164.0
1488.005615234375	152.0
1488.5738525390625	164.0
1488.8809814453125	144.0
1491.2396240234375	216.0
1491.82373046875	148.0
1492.085205078125	176.0
1493.6268310546875	152.0
1495.3543701171875	196.0
1496.49365234375	232.0
1496.7015380859375	152.0
1497.1866455078125	164.0
1499.2589111328125	140.0
1502.0576171875	140.0
1503.5914306640625	136.0
1504.5810546875	208.0
1504.6737060546875	208.0
1505.4893798828125	176.0
1505.7083740234375	212.0
1505.885986328125	152.0
1506.0869140625	164.0
1506.3109130859375	180.0
1514.7191162109375	176.0
1515.5015869140625	180.0
1516.58642578125	180.0
1518.439453125	144.0
1522.14111328125	184.0
1522.6846923828125	140.0
1523.8887939453125	164.0
1527.12255859375	140.0
1528.3128662109375	232.0
1530.0172119140625	184.0
1530.1029052734375	184.0
1530.93603515625	212.0
1531.71484375	168.0
1531.8551025390625	164.0
1534.2708740234375	176.0
1537.578125	156.0
1538.7454833984375	188.0
1539.2799072265625	152.0
1539.982666015625	160.0
1541.068603515625	224.0
1543.7496337890625	288.0
1545.0557861328125	160.0
1545.760009765625	184.0
1549.7454833984375	268.0
1550.4586181640625	144.0
1551.0072021484375	176.0
1551.4775390625	172.0
1551.689208984375	152.0
1552.0498046875	176.0
1552.16748046875	148.0
1552.2694091796875	188.0
1552.622314453125	168.0
1552.68505859375	252.0
1554.418701171875	192.0
1554.732666015625	144.0
1554.9444580078125	160.0
1556.8836669921875	212.0
1557.55908203125	208.0
1558.5567626953125	144.0
1558.9024658203125	148.0
1560.285888671875	152.0
1561.16650390625	140.0
1561.2293701171875	188.0
1561.284423828125	164.0
1561.426025390625	152.0
1561.4810791015625	184.0
1561.9136962890625	228.0
1562.000244140625	200.0
1562.071044921875	148.0
1562.5086669921875	164.0
1562.912841796875	156.0
1563.054443359375	196.0
1569.5606689453125	156.0
1569.6632080078125	184.0
1570.0338134765625	308.0
1570.6805419921875	156.0
1571.4378662109375	156.0
1571.7376708984375	172.0
1573.166259765625	144.0
1573.9322509765625	148.0
1574.3189697265625	152.0
1575.82763671875	152.0
1576.00146484375	168.0
1576.7335205078125	180.0
1577.356689453125	208.0
1578.048583984375	172.0
1578.4359130859375	176.0
1578.5308837890625	172.0
1579.2347412109375	160.0
1579.543212890625	156.0
1580.176025390625	168.0
1582.8829345703125	172.0
1585.3941650390625	184.0
1585.73486328125	188.0
1585.9013671875	152.0
1586.5513916015625	152.0
1586.646484375	160.0
1587.9654541015625	164.0
1588.26416015625	220.0
1589.3826904296875	188.0
1589.6605224609375	140.0
1593.3763427734375	216.0
1594.1708984375	160.0
1596.034423828125	156.0
1596.508056640625	196.0
1596.6671142578125	148.0
1597.4822998046875	188.0
1598.9742431640625	176.0
1600.01708984375	148.0
1603.9124755859375	156.0
1604.861083984375	148.0
1607.9322509765625	164.0
1609.017822265625	216.0
1609.1614990234375	212.0
1610.6788330078125	184.0
1615.4749755859375	140.0
1615.658935546875	144.0
1615.89892578125	160.0
1616.39501953125	148.0
1616.4910888671875	172.0
1619.8135986328125	140.0
1619.9017333984375	156.0
1620.1099853515625	204.0
1620.551513671875	152.0
1620.959228515625	176.0
1622.5462646484375	144.0
1623.708984375	192.0
1624.527099609375	200.0
1625.505859375	140.0
1625.682373046875	172.0
1627.833740234375	144.0
1628.5244140625	164.0
1632.1488037109375	148.0
1633.459716796875	224.0
1634.223876953125	164.0
1635.9461669921875	148.0
1637.4921875	272.0
1638.4345703125	160.0
1639.707763671875	316.0
1639.89306640625	160.0
1640.5379638671875	200.0
1640.87646484375	172.0
1641.102294921875	140.0
1642.77978515625	212.0
1642.8846435546875	176.0
1642.99755859375	204.0
1643.699462890625	172.0
1644.4742431640625	144.0
1646.0565185546875	152.0
1648.754638671875	160.0
1650.6087646484375	244.0
1650.767578125	176.0
1651.293212890625	204.0
1652.5875244140625	160.0
1655.8983154296875	156.0
1655.9874267578125	156.0
1656.4896240234375	172.0
1656.72119140625	156.0
1657.307861328125	176.0
1657.7210693359375	140.0
1657.91552734375	140.0
1659.5692138671875	148.0
1661.8624267578125	124.0
1662.140380859375	156.0
1664.1614990234375	160.0
1665.4039306640625	176.0
1666.4356689453125	140.0
1666.7850341796875	172.0
1667.2481689453125	168.0
1668.5975341796875	148.0
1669.9229736328125	208.0
1672.380126953125	140.0
1672.624267578125	180.0
1673.047607421875	196.0
1673.5360107421875	156.0
1673.8291015625	148.0
1674.912353515625	144.0
1676.5906982421875	160.0
1677.2264404296875	156.0
1677.976318359375	252.0
1678.83251953125	244.0
1679.896728515625	168.0
1683.3370361328125	172.0
1683.8135986328125	192.0
1684.2109375	152.0
1684.9052734375	160.0
1685.1993408203125	164.0
1686.7275390625	208.0
1686.8583984375	188.0
1687.1580810546875	180.0
1688.640869140625	200.0
1688.9925537109375	180.0
1689.098876953125	152.0
1690.7188720703125	156.0
1691.6832275390625	116.0
1692.4542236328125	140.0
1692.798095703125	172.0
1692.871826171875	168.0
1693.76025390625	100.0
1693.9283447265625	144.0
1695.3211669921875	200.0
1695.73095703125	164.0
1697.542724609375	212.0
1698.108642578125	176.0
1698.9677734375	160.0
1699.19140625	160.0
1700.307373046875	148.0
1700.7669677734375	192.0
1700.9393310546875	148.0
1702.072265625	160.0
1704.7337646484375	168.0
1706.718994140625	148.0
1708.3348388671875	292.0
1709.1575927734375	148.0
1709.955810546875	216.0
1711.5281982421875	140.0
1711.7421875	152.0
1713.7767333984375	144.0
1715.0540771484375	224.0
1715.202392578125	140.0
1718.0638427734375	144.0
1719.4171142578125	196.0
1719.549072265625	172.0
1720.0030517578125	156.0
1720.3909912109375	164.0
1720.6138916015625	188.0
1721.0350341796875	152.0
1721.3074951171875	196.0
1721.84423828125	184.0
1723.612060546875	164.0
1723.6947021484375	172.0
1725.2568359375	152.0
1725.4835205078125	208.0
1726.811279296875	276.0
1727.7294921875	148.0
1727.853515625	192.0
1728.242431640625	212.0
1728.4906005859375	164.0
1728.548583984375	152.0
1729.43408203125	236.0
1730.4439697265625	144.0
1731.0484619140625	144.0
1731.5701904296875	148.0
1733.458984375	164.0
1733.5584716796875	192.0
1733.923095703125	144.0
1736.1033935546875	140.0
1737.6258544921875	160.0
1738.16064453125	160.0
1738.4510498046875	140.0
1742.91015625	140.0
1743.2674560546875	140.0
1743.8575439453125	164.0
1744.0570068359375	180.0
1744.5806884765625	212.0
1745.40380859375	176.0
1748.2486572265625	144.0
1753.8953857421875	216.0
1754.52490234375	188.0
1757.1058349609375	156.0
1757.30615234375	192.0
1757.447998046875	144.0
1758.2239990234375	164.0
1758.925048828125	144.0
1761.1043701171875	200.0
1761.2213134765625	204.0
1762.80029296875	180.0
1763.635986328125	244.0
1764.77294921875	256.0
1765.12158203125	176.0
1765.363525390625	176.0
1765.470703125	196.0
1765.676025390625	144.0
1766.060791015625	156.0
1766.4622802734375	156.0
1767.3072509765625	260.0
1767.54150390625	164.0
1769.290771484375	180.0
1769.5670166015625	144.0
1770.0526123046875	172.0
1770.1614990234375	156.0
1770.78955078125	200.0
1771.10791015625	144.0
1771.333984375	152.0
1772.1298828125	168.0
1774.337646484375	152.0
1776.178955078125	140.0
1776.388671875	140.0
1776.732666015625	160.0
1777.101806640625	176.0
1777.49609375	172.0
1779.334228515625	280.0
1781.1044921875	148.0
1782.3326416015625	324.0
1783.803466796875	180.0
1783.9295654296875	168.0
1784.1480712890625	180.0
1784.232177734375	180.0
1785.2747802734375	164.0
1785.602783203125	152.0
1786.1326904296875	184.0
1786.4503173828125	132.0
1788.00048828125	148.0
1788.160400390625	152.0
1788.4718017578125	152.0
1789.5577392578125	164.0
1789.7093505859375	156.0
1790.1219482421875	160.0
1790.391357421875	156.0
1790.4814453125	160.0
1790.71630859375	184.0
1791.098876953125	176.0
1791.58740234375	160.0
1791.8223876953125	152.0
1793.673095703125	168.0
1793.9638671875	156.0
1794.6046142578125	140.0
1795.051513671875	156.0
1795.970703125	240.0
1796.0718994140625	172.0
1796.198486328125	164.0
1797.43017578125	168.0
1798.189697265625	200.0
1798.839599609375	248.0
1798.898681640625	176.0
1799.101318359375	156.0
1799.26171875	208.0
1799.5234375	144.0
1800.688720703125	168.0
1801.4996337890625	240.0
1802.80078125	164.0
1804.846435546875	348.0
1804.9310302734375	160.0
1806.6309814453125	140.0
1806.7943115234375	184.0
1807.544677734375	236.0
1808.3447265625	208.0
1810.7362060546875	148.0
1813.4642333984375	204.0
1814.863037109375	200.0
1815.8636474609375	152.0
1818.8199462890625	104.0
1819.4105224609375	148.0
1819.5972900390625	140.0
1820.161865234375	152.0
1820.3359375	172.0
1821.6014404296875	140.0
1821.745849609375	144.0
1822.9874267578125	156.0
1823.2626953125	136.0
1823.615234375	184.0
1823.9296875	176.0
1824.1591796875	156.0
1825.3070068359375	208.0
1825.4515380859375	164.0
1825.5899658203125	216.0
1828.7098388671875	156.0
1828.9395751953125	184.0
1829.3226318359375	204.0
1830.0037841796875	156.0
1830.7615966796875	192.0
1831.1788330078125	160.0
1831.2596435546875	152.0
1831.851806640625	172.0
1831.928466796875	164.0
1832.127685546875	124.0
1833.180908203125	172.0
1833.555908203125	160.0
1834.0587158203125	168.0
1835.4398193359375	144.0
1836.427978515625	132.0
1837.1114501953125	140.0
1837.5123291015625	164.0
1837.7000732421875	148.0
1838.3826904296875	180.0
1838.5362548828125	180.0
1839.108154296875	224.0
1839.2191162109375	208.0
1841.532958984375	164.0
1842.7225341796875	196.0
1843.8055419921875	292.0
1844.33544921875	188.0
1846.46435546875	192.0
1847.1400146484375	140.0
1849.4246826171875	160.0
1850.083740234375	152.0
1850.2550048828125	164.0
1851.633544921875	152.0
1851.950439453125	148.0
1852.623779296875	216.0
1853.209716796875	164.0
1855.472412109375	168.0
1855.7308349609375	188.0
1855.94384765625	160.0
1858.508544921875	144.0
1858.7916259765625	252.0
1859.20361328125	152.0
1860.0189208984375	144.0
1860.1734619140625	196.0
1860.679931640625	240.0
1861.195068359375	204.0
1861.753173828125	148.0
1861.8218994140625	140.0
1862.1826171875	172.0
1862.7152099609375	176.0
1864.02099609375	156.0
1864.957763671875	192.0
1866.1612548828125	176.0
1866.6170654296875	180.0
1866.952392578125	144.0
1868.363037109375	188.0
1869.1458740234375	172.0
1869.607666015625	188.0
1869.7999267578125	168.0
1869.9031982421875	144.0
1870.2794189453125	188.0
1870.3765869140625	144.0
1870.52294921875	156.0
1870.8673095703125	176.0
1870.9705810546875	152.0
1871.2017822265625	172.0
1871.4268798828125	160.0
1871.54736328125	144.0
1871.9951171875	192.0
1872.176025390625	152.0
1872.30517578125	164.0
1872.580810546875	160.0
1872.961181640625	168.0
1873.950439453125	188.0
1874.8983154296875	176.0
1875.24609375	224.0
1875.3551025390625	148.0
1876.3721923828125	184.0
1876.630859375	180.0
1876.8551025390625	156.0
1876.975830078125	184.0
1877.544921875	152.0
1878.459228515625	152.0
1878.873291015625	208.0
1878.95947265625	188.0
1879.96044921875	216.0
1880.6854248046875	188.0
1882.1270751953125	156.0
1885.17626953125	148.0
1885.5565185546875	160.0
1885.7899169921875	172.0
1886.5159912109375	172.0
1886.8099365234375	376.0
1887.285400390625	152.0
1888.556640625	184.0
1888.9891357421875	148.0
1889.1036376953125	168.0
1890.9532470703125	144.0
1893.18505859375	180.0
1893.3167724609375	336.0
1893.489990234375	164.0
1894.1741943359375	156.0
1894.4774169921875	176.0
1894.7113037109375	144.0
1895.17041015625	148.0
1896.3836669921875	200.0
1897.0078125	148.0
1898.465087890625	152.0
1899.04541015625	148.0
1899.834716796875	164.0
1900.1644287109375	188.0
1900.2252197265625	184.0
1901.535400390625	156.0
1901.969482421875	160.0
1903.506103515625	172.0
1904.7305908203125	172.0
1906.98974609375	188.0
1907.5286865234375	240.0
1908.7110595703125	144.0
1910.252197265625	192.0
1911.2335205078125	160.0
1913.2265625	144.0
1915.6126708984375	164.0
1915.83447265625	164.0
1916.3182373046875	184.0
1916.5361328125	180.0
1918.0350341796875	180.0
1918.279052734375	172.0
1920.2286376953125	204.0
1921.6453857421875	144.0
1923.75732421875	160.0
1923.8184814453125	220.0
1924.4862060546875	116.0
1925.241455078125	300.0
1927.0147705078125	172.0
1928.002197265625	200.0
1929.051025390625	172.0
1929.39208984375	212.0
1930.9571533203125	180.0
1931.4031982421875	176.0
1931.8231201171875	148.0
1932.06298828125	224.0
1933.363037109375	196.0
1933.6080322265625	140.0
1935.787841796875	196.0
1936.5936279296875	196.0
1937.12890625	164.0
1938.5384521484375	152.0
1940.2213134765625	144.0
1940.9403076171875	176.0
1941.1475830078125	168.0
1941.852294921875	196.0
1943.8173828125	160.0
1944.6597900390625	168.0
1944.8792724609375	156.0
1945.2127685546875	192.0
1945.56396484375	272.0
1947.1883544921875	140.0
1947.6627197265625	148.0
1949.2724609375	168.0
1950.017333984375	156.0
1951.0985107421875	184.0
1951.4765625	180.0
1951.7227783203125	164.0
1951.9385986328125	164.0
1952.092041015625	156.0
1953.5521240234375	144.0
1953.68408203125	148.0
1953.8687744140625	144.0
1954.1151123046875	176.0
1955.3118896484375	140.0
1956.4473876953125	184.0
1956.570556640625	176.0
1956.7994384765625	160.0
1956.9315185546875	164.0
1957.4686279296875	156.0
1957.5919189453125	180.0
1957.6976318359375	176.0
1958.005859375	180.0
1958.1907958984375	212.0
1958.595947265625	140.0
1959.16845703125	148.0
1962.2618408203125	188.0
1963.4522705078125	160.0
1964.39599609375	140.0
1964.722412109375	200.0
1965.101806640625	168.0
1966.337158203125	152.0
1967.4493408203125	152.0
1967.7142333984375	196.0
1967.8466796875	156.0
1968.1314697265625	152.0
1968.4647216796875	208.0
1968.60595703125	172.0
1969.1800537109375	180.0
1969.2860107421875	160.0
1971.30908203125	148.0
1971.9896240234375	192.0
1972.413818359375	212.0
1972.5640869140625	148.0
1973.37744140625	160.0
1973.71337890625	148.0
1974.3765869140625	196.0
1974.5711669921875	200.0
1974.65966796875	176.0
1974.96923828125	180.0
1975.552001953125	176.0
1976.18115234375	168.0
1979.0399169921875	156.0
1979.64208984375	176.0
1980.6517333984375	164.0
1980.8233642578125	232.0
1981.599609375	176.0
1981.723388671875	152.0
1982.0869140625	228.0
1982.50341796875	156.0
1983.292236328125	148.0
1985.703857421875	140.0
1986.4888916015625	168.0
1987.06982421875	196.0
1987.58447265625	156.0
1988.729248046875	228.0
1989.10205078125	176.0
1989.466064453125	144.0
1989.68798828125	160.0
1990.007568359375	144.0
1994.1826171875	208.0
1994.74267578125	152.0
1994.849365234375	168.0
1995.631591796875	140.0
1999.109619140625	184.0
1999.2430419921875	172.0
1999.3409423828125	144.0
1999.901611328125	192.0
2000.46240234375	152.0
2001.0855712890625	140.0
2001.1925048828125	184.0
2001.83349609375	156.0
2002.0828857421875	204.0
2002.7330322265625	176.0
2002.9378662109375	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079261
PEPMASS=257.120728
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="(E)-4-(3,5-dimethoxystyryl)phenol" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1cc(OC)cc(/C=C/c2ccc(O)cc2)c1
INCHI=InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
INCHIAUX=VLEUZFDZJKSGMX-ONEGZZNKSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079261
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079261
SCANS=1738
52.754661560058594	152.0
57.971954345703125	204.0
60.781402587890625	192.0
68.5301284790039	180.0
68.62078094482422	156.0
70.16098022460938	152.0
70.68375396728516	172.0
74.51773834228516	160.0
77.81787109375	164.0
79.8856201171875	160.0
84.17366790771484	144.0
84.25768280029297	156.0
85.3941879272461	156.0
91.06249237060547	200.0
91.80390930175781	172.0
94.41378784179688	140.0
99.16371154785156	164.0
100.097412109375	148.0
103.05201721191406	312.0
103.16114807128906	172.0
104.05658721923828	252.0
105.06995391845703	1236.0
107.05329132080078	160.0
107.2808609008789	168.0
108.06151580810547	184.0
108.16912841796875	196.0
108.96546173095703	160.0
109.06312561035156	160.0
111.00052642822266	208.0
111.0475082397461	228.0
112.05525207519531	184.0
115.05453491210938	140.0
118.04327392578125	168.0
119.05120086669922	536.0
119.09870910644531	188.0
120.0635986328125	144.0
120.96742248535156	140.0
121.02428436279297	144.0
121.06350708007812	344.0
122.07320404052734	144.0
123.04267883300781	148.0
123.07598114013672	148.0
125.09552001953125	148.0
128.0641632080078	380.0
131.05043029785156	288.0
132.05735778808594	160.0
133.0355682373047	144.0
133.0645294189453	2312.0
134.03602600097656	180.0
134.06900024414062	168.0
134.8483428955078	204.0
135.044921875	528.0
135.0821075439453	340.0
135.1165771484375	188.0
135.23226928710938	140.0
136.09048461914062	172.0
137.0589599609375	656.0
137.6453857421875	180.0
138.06961059570312	156.0
139.07020568847656	148.0
140.05979919433594	172.0
141.0667266845703	408.0
143.08265686035156	160.0
144.08670043945312	176.0
145.0659942626953	660.0
145.08944702148438	152.0
146.07403564453125	192.0
147.08607482910156	172.0
148.05113220214844	604.0
149.06085205078125	392.0
149.62417602539062	192.0
150.06678771972656	184.0
151.05421447753906	124.0
151.07479858398438	472.0
152.06341552734375	176.0
153.0717315673828	368.0
154.0755615234375	480.0
154.69618225097656	140.0
155.08592224121094	288.0
157.0679168701172	468.0
158.0640869140625	164.0
158.0836181640625	240.0
159.08026123046875	340.0
159.54086303710938	220.0
161.05723571777344	172.0
161.18414306640625	148.0
162.37901306152344	188.0
163.0746612548828	636.0
164.0546417236328	168.0
164.08909606933594	352.0
165.069580078125	696.0
166.07984924316406	372.0
167.08424377441406	176.0
168.0520477294922	180.0
169.05902099609375	172.0
169.10272216796875	196.0
169.89501953125	140.0
170.08184814453125	180.0
170.7157745361328	192.0
171.08111572265625	440.0
172.07852172851562	152.0
173.0625762939453	204.0
174.0726318359375	376.0
176.0645751953125	184.0
177.0709228515625	568.0
178.0791778564453	176.0
178.9899139404297	136.0
179.08372497558594	432.0
181.06507873535156	1768.0
182.07138061523438	896.0
183.0787811279297	596.0
184.0555419921875	168.0
185.06600952148438	180.0
186.06353759765625	168.0
187.14852905273438	160.0
191.58261108398438	220.0
192.0594940185547	220.0
193.06178283691406	188.0
194.0699462890625	428.0
195.08424377441406	380.0
195.13333129882812	176.0
196.05467224121094	176.0
196.09080505371094	372.0
197.05828857421875	160.0
197.0961151123047	680.0
197.9066619873047	152.0
199.07415771484375	1140.0
199.10684204101562	148.0
199.13491821289062	200.0
199.88833618164062	156.0
200.08535766601562	152.0
201.07749938964844	168.0
204.40737915039062	164.0
207.0840606689453	196.0
208.08309936523438	248.0
209.0591583251953	408.0
209.09658813476562	268.0
210.06661987304688	916.0
211.07577514648438	1212.0
212.0821990966797	308.0
212.11610412597656	148.0
212.461181640625	172.0
213.0272674560547	156.0
213.09097290039062	776.0
213.92208862304688	284.0
214.0957489013672	248.0
216.84088134765625	152.0
224.0815887451172	612.0
224.99932861328125	148.0
225.09230041503906	1436.0
226.09803771972656	956.0
227.07009887695312	1236.0
227.11575317382812	288.0
228.07278442382812	192.0
229.12110900878906	608.0
230.12510681152344	220.0
231.93594360351562	148.0
235.7437286376953	188.0
239.10284423828125	456.0
240.11843872070312	176.0
241.08421325683594	452.0
242.09275817871094	2100.0
243.09823608398438	336.0
246.0482940673828	176.0
253.3424835205078	164.0
254.4735107421875	144.0
255.09934997558594	168.0
255.72279357910156	140.0
255.9010467529297	160.0
256.072998046875	140.0
256.1080627441406	1324.0
256.25543212890625	192.0
256.3005676269531	168.0
256.76458740234375	152.0
256.86529541015625	160.0
257.11822509765625	38312.0
257.24041748046875	124.0
257.3166198730469	180.0
257.6190490722656	100.0
257.9545593261719	196.0
258.055419921875	152.0
258.12078857421875	4424.0
258.3360900878906	252.0
259.1249084472656	1128.0
259.16351318359375	220.0
259.576904296875	124.0
259.83984375	140.0
260.12738037109375	248.0
267.0714416503906	180.0
452.51220703125	144.0
939.1553344726562	224.0
1163.9619140625	160.0
1415.3824462890625	156.0
1493.672119140625	172.0
1526.954345703125	152.0
1559.4713134765625	168.0
1672.74951171875	200.0
1717.3577880859375	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079262
PEPMASS=264.064545
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Ticlopidine Hydrochloride [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Clc1ccccc1CN2CCc3sccc3C2
INCHI=InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
INCHIAUX=PHWBOXQYWZNQIN-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079262
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079262
SCANS=1089
44.940513610839844	156.0
45.13218307495117	164.0
45.305503845214844	140.0
45.36178970336914	160.0
45.52816390991211	160.0
45.807926177978516	160.0
46.31853103637695	164.0
46.92327117919922	208.0
47.05424880981445	176.0
47.074729919433594	148.0
48.34358596801758	192.0
48.87505340576172	144.0
48.89036178588867	192.0
48.97528839111328	180.0
49.097938537597656	164.0
49.19561004638672	148.0
49.78086471557617	156.0
49.859535217285156	160.0
49.9565544128418	176.0
50.214317321777344	168.0
50.45861053466797	180.0
50.66465377807617	172.0
50.93760299682617	236.0
51.002967834472656	188.0
51.234920501708984	180.0
51.266265869140625	180.0
51.69038391113281	140.0
51.87944412231445	144.0
52.22453689575195	148.0
52.30320739746094	164.0
52.398250579833984	232.0
52.50491714477539	148.0
52.68671417236328	156.0
52.9152946472168	196.0
53.155845642089844	164.0
53.4828987121582	192.0
53.504737854003906	184.0
53.76127243041992	196.0
53.81235885620117	180.0
54.555137634277344	148.0
54.84512710571289	148.0
54.88481903076172	160.0
55.0404052734375	152.0
55.08269119262695	224.0
55.563812255859375	140.0
56.229061126708984	176.0
56.574241638183594	176.0
56.72554016113281	156.0
56.991180419921875	184.0
57.219791412353516	180.0
57.36290740966797	224.0
57.65874099731445	224.0
57.69804382324219	152.0
58.04780197143555	160.0
58.61936569213867	160.0
59.106475830078125	184.0
59.21670150756836	140.0
59.80167007446289	212.0
60.27048110961914	140.0
60.39725112915039	164.0
60.4431037902832	188.0
60.73491668701172	192.0
60.932064056396484	164.0
61.156429290771484	184.0
61.18400955200195	200.0
61.23450469970703	140.0
61.68476867675781	160.0
61.999366760253906	212.0
62.102840423583984	156.0
62.294342041015625	140.0
62.429508209228516	208.0
62.48299026489258	220.0
62.807498931884766	172.0
62.83747100830078	140.0
63.0775146484375	152.0
63.15657424926758	144.0
63.24359893798828	148.0
64.00562286376953	180.0
64.04544067382812	140.0
64.21133422851562	188.0
64.24948120117188	148.0
65.62557220458984	148.0
65.9500503540039	252.0
66.08589172363281	168.0
66.32881164550781	220.0
66.47152709960938	148.0
66.6144027709961	164.0
66.96736907958984	196.0
67.03253173828125	200.0
67.25270080566406	144.0
67.31800079345703	204.0
67.48794555664062	172.0
67.93997192382812	164.0
67.97278594970703	164.0
69.03529357910156	140.0
69.59703063964844	196.0
70.13937377929688	208.0
70.70223236083984	180.0
70.75579071044922	152.0
70.8177490234375	152.0
72.3484115600586	208.0
72.49577331542969	152.0
72.6263198852539	224.0
72.64328002929688	212.0
72.72303009033203	148.0
73.10469818115234	216.0
73.2876205444336	144.0
74.04094696044922	176.0
74.12488555908203	160.0
74.38385772705078	164.0
74.86182403564453	172.0
74.98931121826172	188.0
75.65433502197266	232.0
75.9350357055664	168.0
76.17109680175781	152.0
76.24928283691406	224.0
76.37446594238281	160.0
76.39241790771484	200.0
76.43187713623047	160.0
76.59378051757812	148.0
77.22388458251953	148.0
77.42340087890625	176.0
77.4671859741211	172.0
78.1430892944336	172.0
78.58002471923828	176.0
78.71946716308594	212.0
78.73182678222656	160.0
79.01641082763672	176.0
79.21823120117188	156.0
79.2784652709961	156.0
80.38634490966797	180.0
80.82234191894531	212.0
81.21467590332031	176.0
81.60975646972656	148.0
81.92830657958984	192.0
82.02459716796875	164.0
83.02728271484375	160.0
83.18695068359375	164.0
83.27179718017578	184.0
83.29045104980469	184.0
83.4103775024414	204.0
83.50019073486328	212.0
83.6632308959961	148.0
83.77978515625	176.0
83.8289794921875	196.0
83.96570587158203	140.0
84.0733413696289	140.0
84.50274658203125	192.0
84.63269805908203	144.0
84.73751831054688	156.0
84.84889221191406	200.0
85.33358001708984	160.0
85.51753234863281	144.0
86.07243347167969	148.0
86.47914123535156	168.0
86.49579620361328	156.0
87.04828643798828	140.0
87.35308837890625	192.0
87.36577606201172	180.0
87.46473693847656	160.0
87.9316635131836	224.0
88.39414978027344	160.0
88.63758087158203	272.0
89.0379409790039	124.0
89.07847595214844	180.0
89.10084533691406	220.0
89.91445922851562	184.0
90.02395629882812	140.0
90.1146240234375	188.0
90.62547302246094	156.0
90.66905212402344	224.0
91.40016174316406	172.0
92.4975357055664	172.0
92.59326934814453	172.0
93.15525817871094	164.0
93.57643127441406	148.0
93.6823501586914	140.0
94.99105834960938	348.0
95.2822494506836	140.0
95.64005279541016	204.0
95.83090209960938	208.0
96.40066528320312	144.0
96.60204315185547	152.0
96.733154296875	184.0
96.8819808959961	212.0
96.98307037353516	188.0
97.0583724975586	248.0
97.73406219482422	156.0
98.8251724243164	204.0
99.000244140625	200.0
99.07067108154297	192.0
99.17767333984375	240.0
99.37399291992188	204.0
99.4236068725586	160.0
99.47521209716797	208.0
99.65592956542969	148.0
99.67977142333984	200.0
100.00194549560547	176.0
100.93157958984375	160.0
100.99663543701172	208.0
101.56843566894531	148.0
101.7349853515625	144.0
101.81329345703125	152.0
102.39852905273438	192.0
102.58390045166016	156.0
102.71900939941406	152.0
102.73442077636719	156.0
103.17741394042969	184.0
103.29470825195312	172.0
103.61455535888672	148.0
103.74628448486328	176.0
104.45092010498047	216.0
104.65036010742188	160.0
105.07836151123047	144.0
105.23756408691406	228.0
105.634033203125	248.0
105.7916030883789	216.0
106.03534698486328	204.0
106.05379486083984	148.0
106.53395080566406	156.0
106.64696502685547	160.0
107.17584991455078	208.0
107.5387954711914	156.0
107.78868103027344	184.0
108.56141662597656	216.0
109.33984375	224.0
109.65432739257812	164.0
110.05484771728516	164.0
110.24028778076172	144.0
110.55773162841797	200.0
110.5816421508789	144.0
110.70515441894531	180.0
110.77217864990234	180.0
111.02616119384766	640.0
111.47923278808594	140.0
111.61526489257812	196.0
112.31083679199219	144.0
113.10530853271484	180.0
113.83462524414062	200.0
113.8537368774414	156.0
114.21622467041016	148.0
114.92321014404297	144.0
114.95219421386719	260.0
115.00247955322266	156.0
115.21694946289062	176.0
115.78377532958984	152.0
116.79467010498047	152.0
117.06800079345703	188.0
117.73867797851562	156.0
118.099609375	148.0
118.17964935302734	184.0
118.6139907836914	148.0
118.90341186523438	192.0
119.5771484375	172.0
120.65033721923828	156.0
120.74654388427734	144.0
121.1032943725586	176.0
121.14077758789062	140.0
121.44960021972656	140.0
121.62293243408203	208.0
121.82056427001953	156.0
122.17668914794922	192.0
122.37696838378906	196.0
122.52232360839844	160.0
123.02733612060547	160.0
123.4449234008789	148.0
123.59880065917969	156.0
123.78570556640625	168.0
123.81006622314453	160.0
124.06708526611328	172.0
124.47088623046875	148.0
124.52196502685547	172.0
124.58638000488281	188.0
124.6908187866211	140.0
124.77083587646484	180.0
124.85070037841797	96.0
124.8794937133789	208.0
124.90648651123047	164.0
124.92427825927734	176.0
124.94153594970703	148.0
124.95645904541016	172.0
124.98429870605469	340.0
125.0164794921875	92380.0
125.13818359375	168.0
125.30389404296875	116.0
125.33998107910156	112.0
125.38116455078125	148.0
125.44849395751953	176.0
125.52873229980469	184.0
125.94617462158203	100.0
126.01915740966797	7096.0
126.07860565185547	112.0
126.37217712402344	192.0
126.68336486816406	240.0
126.74263763427734	140.0
126.80560302734375	156.0
126.82464599609375	120.0
126.8962631225586	144.0
126.91903686523438	144.0
127.01307678222656	30484.0
127.09444427490234	124.0
127.81880950927734	180.0
128.01651000976562	1328.0
128.7639617919922	160.0
128.85948181152344	120.0
129.0780792236328	184.0
129.44012451171875	172.0
130.17237854003906	100.0
130.34292602539062	192.0
130.4247283935547	160.0
130.7590789794922	144.0
131.30357360839844	148.0
131.5363006591797	164.0
133.03797912597656	148.0
133.34347534179688	196.0
133.95986938476562	180.0
134.32664489746094	156.0
134.45123291015625	236.0
134.5721893310547	120.0
134.65208435058594	204.0
134.75009155273438	112.0
135.09356689453125	228.0
135.37130737304688	152.0
135.4685821533203	140.0
136.0181427001953	148.0
136.70608520507812	144.0
137.08799743652344	144.0
138.03646850585938	776.0
138.69125366210938	172.0
138.94920349121094	216.0
138.9937744140625	204.0
139.0400848388672	300.0
141.03323364257812	180.0
142.1985321044922	184.0
142.79249572753906	164.0
143.74778747558594	164.0
143.88861083984375	148.0
143.9148712158203	144.0
144.14895629882812	164.0
144.7565460205078	224.0
145.7904510498047	168.0
146.1776123046875	196.0
147.13690185546875	148.0
147.43157958984375	180.0
147.78221130371094	160.0
150.02627563476562	148.0
150.62901306152344	228.0
151.03233337402344	192.0
153.2737579345703	184.0
153.4871063232422	108.0
153.8508758544922	152.0
153.8755645751953	156.0
153.90757751464844	112.0
153.94064331054688	180.0
153.98597717285156	180.0
154.00901794433594	176.0
154.04295349121094	127828.0
154.12396240234375	236.0
154.20762634277344	132.0
154.3223114013672	156.0
154.39694213867188	156.0
154.44960021972656	252.0
154.48065185546875	128.0
154.86627197265625	132.0
154.97991943359375	172.0
155.04550170898438	6884.0
155.117431640625	228.0
155.4249725341797	220.0
155.54161071777344	160.0
155.56748962402344	112.0
155.7154083251953	168.0
155.82960510253906	136.0
155.90646362304688	164.0
156.0394744873047	29496.0
156.13609313964844	104.0
156.1729278564453	216.0
156.23731994628906	252.0
156.2675018310547	112.0
156.30027770996094	148.0
156.53367614746094	104.0
156.63427734375	120.0
157.0442352294922	1700.0
157.4213104248047	212.0
158.19793701171875	124.0
158.23135375976562	140.0
158.2716522216797	132.0
159.06874084472656	180.0
161.3966064453125	148.0
162.05215454101562	212.0
162.57957458496094	148.0
162.88424682617188	188.0
163.2273406982422	156.0
165.985107421875	148.0
166.00819396972656	236.0
167.08473205566406	184.0
167.171875	140.0
168.22860717773438	140.0
170.1131591796875	160.0
170.43519592285156	204.0
173.06698608398438	192.0
175.28126525878906	180.0
177.5368194580078	172.0
179.95489501953125	184.0
181.1905059814453	160.0
181.34860229492188	148.0
181.92262268066406	148.0
182.2664031982422	160.0
182.3147735595703	140.0
183.65821838378906	168.0
184.0333251953125	104.0
184.45138549804688	208.0
185.0384979248047	244.0
186.04489135742188	232.0
188.3103790283203	184.0
188.75582885742188	204.0
188.9500274658203	168.0
191.34869384765625	208.0
191.64891052246094	180.0
192.816162109375	156.0
195.0614013671875	136.0
195.425537109375	188.0
196.44239807128906	260.0
197.07334899902344	160.0
197.56260681152344	196.0
198.46722412109375	176.0
199.05682373046875	224.0
199.16600036621094	148.0
200.0701904296875	116.0
200.2009735107422	176.0
201.0720977783203	144.0
201.52955627441406	152.0
201.86026000976562	196.0
202.06228637695312	180.0
203.18014526367188	144.0
206.22132873535156	188.0
206.38140869140625	160.0
206.41285705566406	144.0
206.8419952392578	188.0
206.8906707763672	172.0
206.9164276123047	140.0
208.40208435058594	152.0
208.4365692138672	192.0
211.3980255126953	140.0
213.3500213623047	196.0
216.551025390625	140.0
217.60963439941406	196.0
218.94461059570312	160.0
219.0771484375	152.0
220.0070343017578	172.0
220.2511749267578	152.0
221.021240234375	388.0
222.02401733398438	184.0
222.12486267089844	140.0
222.26429748535156	144.0
222.572998046875	192.0
223.75633239746094	148.0
226.29107666015625	172.0
227.10617065429688	220.0
227.937744140625	144.0
228.1962432861328	156.0
231.3670654296875	172.0
232.40357971191406	176.0
233.14146423339844	148.0
233.7252960205078	156.0
235.03614807128906	1428.0
236.0396728515625	340.0
237.02926635742188	308.0
237.20997619628906	180.0
237.55711364746094	216.0
238.03338623046875	176.0
240.9366455078125	152.0
242.16146850585938	120.0
242.9085693359375	148.0
243.37718200683594	184.0
243.69400024414062	236.0
243.86801147460938	168.0
244.3188934326172	168.0
246.00482177734375	152.0
247.04225158691406	296.0
247.3990478515625	244.0
247.89077758789062	192.0
251.29608154296875	168.0
251.8674774169922	152.0
253.86769104003906	176.0
255.35076904296875	164.0
256.1146545410156	204.0
256.7552490234375	204.0
257.89825439453125	208.0
259.89141845703125	188.0
261.0947265625	172.0
262.0431213378906	852.0
262.086181640625	148.0
262.13775634765625	148.0
262.3440246582031	236.0
262.3897705078125	128.0
262.727783203125	204.0
262.7779541015625	116.0
262.84228515625	172.0
263.0486145019531	248.0
263.152099609375	100.0
263.2301025390625	264.0
263.39599609375	144.0
263.4593505859375	140.0
263.6350402832031	256.0
263.7866516113281	152.0
263.9120178222656	156.0
263.96649169921875	168.0
264.0035095214844	148.0
264.0630798339844	154044.0
264.166015625	140.0
264.2887878417969	112.0
264.390869140625	180.0
264.4305114746094	104.0
264.53070068359375	148.0
264.5555725097656	248.0
264.5947265625	720.0
264.62310791015625	168.0
264.69219970703125	136.0
264.7437438964844	180.0
264.8670654296875	180.0
264.90179443359375	104.0
264.9612121582031	108.0
264.9874572753906	228.0
265.06494140625	17288.0
265.153076171875	172.0
265.1920166015625	144.0
265.2611389160156	136.0
265.3194885253906	144.0
265.3597106933594	108.0
265.4602355957031	132.0
265.50946044921875	164.0
265.640869140625	204.0
265.7316589355469	200.0
265.7698669433594	160.0
265.8448181152344	96.0
265.9268798828125	184.0
265.96527099609375	100.0
265.99053955078125	140.0
266.02099609375	248.0
266.05926513671875	53784.0
266.1204528808594	180.0
266.21014404296875	248.0
266.31671142578125	144.0
266.4113464355469	292.0
266.52227783203125	232.0
266.5637512207031	160.0
266.5970458984375	208.0
266.62841796875	192.0
266.6546936035156	128.0
266.6911926269531	140.0
266.7949523925781	156.0
266.8399658203125	236.0
266.8752746582031	144.0
266.8961486816406	128.0
266.9272155761719	96.0
266.9512023925781	120.0
267.0614013671875	3940.0
267.1551513671875	588.0
267.5306701660156	128.0
267.6065979003906	112.0
267.8218078613281	164.0
267.958984375	124.0
268.0594787597656	136.0
268.072998046875	280.0
268.58160400390625	100.0
268.75146484375	168.0
268.7837829589844	132.0
268.89385986328125	128.0
269.16680908203125	104.0
362.1824951171875	160.0
370.69366455078125	156.0
375.61480712890625	140.0
380.5567626953125	144.0
413.6143493652344	140.0
848.2066650390625	220.0
855.7413940429688	144.0
948.922119140625	180.0
961.9025268554688	160.0
972.3565673828125	200.0
985.5457763671875	176.0
1004.07666015625	144.0
1044.0150146484375	152.0
1097.4334716796875	288.0
1102.5360107421875	144.0
1114.98193359375	152.0
1116.7237548828125	160.0
1130.0118408203125	240.0
1131.8658447265625	184.0
1141.8782958984375	184.0
1160.38720703125	156.0
1160.4686279296875	264.0
1174.995849609375	156.0
1200.0638427734375	148.0
1208.192626953125	144.0
1221.3934326171875	152.0
1223.36962890625	172.0
1223.5645751953125	160.0
1234.5821533203125	156.0
1235.3585205078125	256.0
1253.1483154296875	236.0
1279.459228515625	156.0
1304.2818603515625	168.0
1311.6527099609375	156.0
1312.1356201171875	160.0
1320.0853271484375	160.0
1334.1876220703125	168.0
1346.538330078125	144.0
1351.5677490234375	160.0
1356.6358642578125	148.0
1357.5816650390625	144.0
1359.08544921875	176.0
1359.86328125	180.0
1369.649658203125	144.0
1372.2657470703125	172.0
1374.02099609375	148.0
1374.1981201171875	216.0
1391.8658447265625	160.0
1392.60107421875	148.0
1395.8931884765625	196.0
1401.848388671875	224.0
1410.879638671875	220.0
1412.4874267578125	152.0
1426.013671875	188.0
1431.2193603515625	156.0
1431.8896484375	168.0
1439.0306396484375	176.0
1441.1453857421875	140.0
1451.1663818359375	212.0
1479.5460205078125	164.0
1482.197265625	172.0
1500.1109619140625	148.0
1506.369140625	184.0
1506.76318359375	216.0
1514.955810546875	212.0
1518.03271484375	204.0
1523.667724609375	140.0
1525.7349853515625	168.0
1527.67138671875	220.0
1540.3306884765625	208.0
1540.7447509765625	160.0
1547.7681884765625	164.0
1549.867431640625	140.0
1564.55419921875	156.0
1572.13671875	216.0
1573.4705810546875	192.0
1575.4608154296875	236.0
1583.8853759765625	144.0
1594.4217529296875	140.0
1596.7908935546875	188.0
1597.053466796875	184.0
1601.18408203125	172.0
1604.14013671875	252.0
1604.905517578125	252.0
1626.561767578125	152.0
1627.974853515625	188.0
1628.280029296875	204.0
1629.4769287109375	200.0
1632.3785400390625	164.0
1635.8863525390625	236.0
1644.842041015625	148.0
1663.248779296875	180.0
1664.864501953125	140.0
1665.806640625	176.0
1668.716064453125	204.0
1669.6104736328125	224.0
1674.1595458984375	200.0
1676.70947265625	140.0
1693.6136474609375	176.0
1694.2608642578125	148.0
1706.9168701171875	148.0
1710.701416015625	212.0
1716.336669921875	200.0
1726.3282470703125	180.0
1726.568115234375	152.0
1732.7015380859375	140.0
1737.8087158203125	144.0
1738.3563232421875	152.0
1745.724609375	184.0
1747.4139404296875	172.0
1749.1441650390625	152.0
1749.78515625	144.0
1755.4010009765625	216.0
1763.2816162109375	200.0
1764.393310546875	168.0
1766.0657958984375	160.0
1772.64599609375	152.0
1773.031494140625	164.0
1773.2493896484375	152.0
1773.76904296875	184.0
1774.4229736328125	188.0
1778.0382080078125	144.0
1780.724853515625	216.0
1793.9857177734375	180.0
1795.764892578125	160.0
1796.3807373046875	152.0
1801.00634765625	208.0
1806.4415283203125	200.0
1812.31689453125	192.0
1813.757568359375	156.0
1814.6986083984375	188.0
1816.8951416015625	160.0
1818.7874755859375	140.0
1819.4920654296875	272.0
1824.07080078125	204.0
1825.439697265625	160.0
1827.7703857421875	144.0
1828.1192626953125	220.0
1839.11328125	172.0
1843.6483154296875	172.0
1844.4945068359375	172.0
1846.05908203125	152.0
1846.666259765625	152.0
1848.9334716796875	176.0
1851.6387939453125	144.0
1856.86669921875	188.0
1857.7587890625	160.0
1865.0919189453125	180.0
1865.1865234375	188.0
1865.8570556640625	160.0
1866.0118408203125	164.0
1868.566162109375	192.0
1878.1884765625	176.0
1879.9656982421875	172.0
1889.885498046875	168.0
1890.1796875	168.0
1894.5	152.0
1898.738525390625	176.0
1901.315185546875	180.0
1903.9456787109375	228.0
1904.01513671875	212.0
1911.4912109375	148.0
1914.346435546875	180.0
1915.243408203125	176.0
1917.0643310546875	168.0
1922.959716796875	148.0
1923.9373779296875	188.0
1925.3343505859375	200.0
1929.4935302734375	300.0
1931.3387451171875	236.0
1931.4990234375	168.0
1933.254638671875	168.0
1938.2197265625	160.0
1942.0770263671875	208.0
1944.2615966796875	160.0
1945.2972412109375	152.0
1950.83154296875	224.0
1954.2437744140625	140.0
1957.60400390625	180.0
1958.1875	160.0
1958.284423828125	160.0
1960.389892578125	160.0
1962.267333984375	140.0
1962.4349365234375	184.0
1965.4249267578125	148.0
1968.0640869140625	168.0
1970.669677734375	196.0
1972.3310546875	164.0
1981.8089599609375	208.0
1983.709716796875	112.0
1985.1595458984375	144.0
1987.01708984375	172.0
1993.201904296875	180.0
1994.9793701171875	184.0
1997.6561279296875	168.0
1999.435546875	160.0
2000.7261962890625	220.0
2001.189208984375	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079263
PEPMASS=276.174377
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=Physostigmine [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1
INCHI=InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13?,15-/m0/s1
INCHIAUX=PIJVFDBKTWXHHD-WUJWULDRSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079263
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079263
SCANS=1024
45.10610580444336	164.0
45.139530181884766	172.0
45.23987579345703	152.0
45.287437438964844	116.0
45.39529800415039	192.0
45.413597106933594	180.0
45.90765380859375	180.0
46.18316650390625	152.0
46.91917419433594	188.0
47.461971282958984	140.0
47.89211654663086	184.0
47.90451431274414	140.0
48.18318557739258	144.0
48.2453727722168	160.0
48.56247329711914	188.0
48.776302337646484	156.0
49.409420013427734	204.0
49.63071060180664	180.0
49.81708526611328	156.0
49.8314208984375	168.0
49.8946647644043	148.0
50.12549591064453	220.0
50.76728057861328	224.0
50.95890426635742	156.0
51.16370391845703	156.0
51.51451873779297	144.0
51.585968017578125	196.0
51.65174865722656	164.0
51.70468521118164	220.0
51.850765228271484	192.0
52.08894348144531	144.0
52.1435432434082	204.0
52.41264724731445	224.0
53.50763702392578	188.0
53.69998550415039	148.0
53.89268112182617	144.0
54.352447509765625	208.0
54.71989822387695	160.0
55.08711242675781	204.0
55.264522552490234	164.0
55.350372314453125	156.0
55.52671813964844	164.0
55.60089874267578	196.0
56.0306282043457	152.0
56.479957580566406	208.0
56.67307662963867	164.0
57.13700866699219	228.0
58.05992126464844	168.0
58.14943313598633	144.0
58.258758544921875	156.0
58.75200271606445	176.0
58.84555435180664	148.0
58.973419189453125	172.0
59.088104248046875	172.0
59.335105895996094	172.0
59.37607955932617	140.0
59.52647399902344	232.0
59.874019622802734	148.0
60.032752990722656	148.0
60.31219482421875	144.0
60.367855072021484	196.0
60.818695068359375	176.0
60.84197998046875	164.0
61.26342010498047	164.0
61.46454620361328	160.0
61.56132888793945	144.0
61.5878791809082	180.0
61.84117126464844	160.0
62.187557220458984	148.0
62.35560989379883	148.0
62.60890197753906	148.0
62.654579162597656	140.0
62.77279281616211	180.0
63.657371520996094	168.0
64.20001983642578	168.0
64.37396240234375	208.0
64.40431213378906	144.0
65.3018798828125	168.0
65.74492645263672	180.0
66.11338806152344	184.0
66.25101470947266	168.0
66.82898712158203	140.0
67.0944595336914	152.0
67.82353210449219	172.0
67.98590087890625	188.0
68.67524719238281	152.0
69.25704956054688	156.0
69.65348052978516	164.0
69.74154663085938	172.0
69.83798217773438	148.0
70.37124633789062	164.0
70.41465759277344	148.0
70.80433654785156	156.0
71.04402923583984	192.0
71.23036193847656	156.0
71.2891616821289	192.0
71.41861724853516	216.0
71.69979095458984	168.0
71.8144302368164	184.0
72.69586181640625	164.0
73.25353240966797	172.0
73.27397155761719	172.0
73.41204071044922	156.0
74.07861328125	212.0
74.10773468017578	188.0
75.21869659423828	220.0
75.90727996826172	156.0
76.01482391357422	256.0
76.03912353515625	152.0
76.09608459472656	216.0
76.47014617919922	216.0
76.67217254638672	148.0
76.7697982788086	156.0
77.07003784179688	192.0
77.53550720214844	200.0
77.9654769897461	140.0
78.15715026855469	140.0
78.35257720947266	144.0
78.4600830078125	160.0
78.48652648925781	228.0
78.705322265625	236.0
79.00932312011719	180.0
79.50367736816406	160.0
79.61451721191406	256.0
79.79142761230469	200.0
80.00264739990234	152.0
80.07613372802734	168.0
80.35956573486328	160.0
80.67925262451172	188.0
81.39232635498047	192.0
81.93730163574219	208.0
81.96973419189453	188.0
82.44794464111328	184.0
82.82608795166016	164.0
83.51036834716797	196.0
83.73969268798828	152.0
84.29063415527344	140.0
84.4563980102539	244.0
84.54664611816406	152.0
84.81771087646484	144.0
84.84703826904297	176.0
84.92772674560547	148.0
85.04515075683594	188.0
85.07636260986328	152.0
85.2912826538086	168.0
85.33356475830078	140.0
85.4512710571289	144.0
85.53224182128906	192.0
85.95612335205078	164.0
86.26640319824219	144.0
86.34036254882812	164.0
86.53280639648438	180.0
86.6031723022461	164.0
86.99999237060547	204.0
87.17723846435547	176.0
87.38397216796875	188.0
88.00161743164062	164.0
88.51019287109375	152.0
88.8475570678711	160.0
88.94701385498047	140.0
89.59390258789062	172.0
90.99720001220703	156.0
91.51434326171875	192.0
91.82877349853516	164.0
91.90126037597656	184.0
93.40898132324219	168.0
93.6515121459961	188.0
94.06221771240234	144.0
94.10082244873047	216.0
95.07147216796875	196.0
95.39300537109375	140.0
95.59138488769531	144.0
95.96341705322266	188.0
96.16978454589844	228.0
96.33226013183594	164.0
96.47100830078125	164.0
96.742919921875	236.0
96.82711791992188	152.0
97.28790283203125	176.0
97.85803985595703	176.0
98.06146240234375	164.0
98.41996765136719	172.0
98.91421508789062	212.0
99.74335479736328	152.0
101.21168518066406	192.0
101.289794921875	176.0
101.45410919189453	240.0
101.78515625	164.0
101.94786834716797	192.0
102.31192779541016	204.0
102.3401107788086	240.0
102.41059875488281	148.0
102.5153579711914	184.0
102.84207153320312	168.0
103.74626159667969	176.0
103.90850830078125	168.0
104.29840087890625	140.0
104.37158966064453	148.0
104.5424575805664	192.0
104.71550750732422	236.0
105.1211929321289	200.0
105.23958587646484	192.0
105.27838134765625	156.0
105.5235824584961	232.0
106.00868225097656	168.0
106.04352569580078	280.0
106.07427215576172	296.0
106.46204376220703	156.0
107.22940826416016	208.0
108.06365966796875	144.0
108.46748352050781	224.0
108.50687408447266	208.0
108.5545654296875	164.0
108.73919677734375	140.0
109.1463623046875	184.0
109.21785736083984	212.0
109.42308807373047	152.0
109.6751480102539	144.0
110.06108856201172	192.0
110.13418579101562	172.0
110.17596435546875	160.0
110.5313949584961	228.0
110.9293212890625	192.0
111.07820129394531	140.0
111.35946655273438	144.0
111.55697631835938	164.0
112.34246063232422	168.0
112.7732162475586	152.0
113.00794219970703	160.0
113.17515563964844	176.0
113.34672546386719	156.0
114.476806640625	168.0
115.03327178955078	200.0
115.48412322998047	156.0
116.85918426513672	160.0
116.97539520263672	180.0
117.06770324707031	172.0
117.20799255371094	144.0
117.47533416748047	212.0
118.06930541992188	176.0
118.21641540527344	188.0
118.44374084472656	164.0
118.48407745361328	180.0
118.54557037353516	168.0
118.60191345214844	160.0
118.8047103881836	200.0
119.70121002197266	172.0
120.69403839111328	196.0
121.02545928955078	188.0
121.06808471679688	480.0
121.11203002929688	184.0
121.16460418701172	144.0
121.24129486083984	216.0
121.25663757324219	188.0
121.3925552368164	140.0
121.987548828125	168.0
122.06546020507812	148.0
122.09308624267578	144.0
123.0303726196289	224.0
123.06043243408203	140.0
123.25038146972656	204.0
123.717041015625	144.0
124.31548309326172	160.0
124.4531021118164	192.0
124.74858093261719	160.0
124.82862091064453	184.0
125.10228729248047	164.0
125.72860717773438	176.0
125.7844009399414	192.0
125.80449676513672	180.0
126.08592987060547	188.0
126.1283950805664	156.0
126.21334838867188	140.0
126.3117446899414	164.0
127.63493347167969	176.0
128.0516815185547	292.0
128.19093322753906	160.0
128.70297241210938	200.0
128.78427124023438	160.0
129.01248168945312	236.0
129.30653381347656	192.0
130.0249786376953	228.0
130.9115753173828	144.0
131.04611206054688	352.0
131.06985473632812	192.0
131.27847290039062	148.0
132.0823974609375	164.0
132.16246032714844	164.0
132.89796447753906	172.0
133.06785583496094	292.0
133.08847045898438	172.0
133.14356994628906	148.0
133.24234008789062	148.0
133.4744873046875	148.0
133.605712890625	204.0
134.0635986328125	156.0
134.0980682373047	2316.0
134.55508422851562	184.0
134.76524353027344	208.0
135.01951599121094	152.0
135.08135986328125	380.0
135.10006713867188	256.0
135.99026489257812	168.0
136.06222534179688	200.0
136.22943115234375	148.0
136.51531982421875	192.0
136.5571746826172	152.0
137.02040100097656	156.0
137.73655700683594	192.0
138.44053649902344	152.0
138.7662353515625	156.0
139.76446533203125	160.0
140.4948272705078	140.0
140.7473602294922	168.0
140.9434051513672	144.0
141.0598907470703	168.0
141.16796875	156.0
141.21054077148438	200.0
141.33828735351562	156.0
141.5726318359375	144.0
141.8261260986328	260.0
141.87364196777344	100.0
142.95423889160156	156.0
143.1375274658203	176.0
143.34677124023438	176.0
143.40255737304688	160.0
143.64515686035156	196.0
144.04380798339844	336.0
144.080810546875	572.0
144.1226348876953	140.0
144.18716430664062	232.0
144.24929809570312	164.0
144.51235961914062	168.0
144.6128692626953	188.0
144.6990509033203	180.0
144.8810577392578	164.0
145.03921508789062	188.0
145.0648193359375	176.0
145.08663940429688	744.0
145.1207275390625	152.0
145.34378051757812	256.0
145.82167053222656	156.0
146.0598907470703	3760.0
146.63755798339844	144.0
146.77255249023438	176.0
146.87384033203125	148.0
147.001708984375	184.0
147.068359375	28200.0
147.2261505126953	304.0
147.56520080566406	124.0
147.72694396972656	96.0
147.96156311035156	100.0
148.07164001464844	2716.0
148.11683654785156	308.0
148.1792449951172	140.0
148.81468200683594	148.0
148.9409637451172	140.0
149.07281494140625	264.0
149.11346435546875	216.0
149.7533416748047	192.0
149.85809326171875	200.0
149.9774932861328	252.0
151.36268615722656	292.0
151.60765075683594	148.0
152.61566162109375	160.0
152.9806365966797	172.0
153.67808532714844	180.0
153.9076385498047	168.0
154.5750274658203	200.0
154.70372009277344	148.0
155.15707397460938	144.0
155.3505096435547	172.0
157.06439208984375	228.0
157.0818634033203	180.0
157.3289031982422	184.0
157.35386657714844	220.0
157.5161895751953	140.0
159.07696533203125	224.0
159.10552978515625	168.0
159.3298797607422	180.0
159.5283966064453	156.0
159.61891174316406	160.0
159.71951293945312	188.0
160.076171875	4576.0
160.11123657226562	604.0
160.3565216064453	144.0
160.92410278320312	148.0
161.00238037109375	148.0
161.04652404785156	100.0
161.0841522216797	15080.0
161.16036987304688	212.0
161.18930053710938	164.0
161.4446258544922	168.0
161.57867431640625	180.0
161.639404296875	184.0
161.6621856689453	168.0
161.69699096679688	132.0
161.75836181640625	176.0
161.8343048095703	164.0
161.86134338378906	200.0
161.90296936035156	140.0
161.94886779785156	100.0
161.97877502441406	176.0
162.005615234375	360.0
162.03712463378906	152.0
162.09237670898438	167628.0
162.20855712890625	244.0
162.28872680664062	168.0
162.35179138183594	184.0
162.50645446777344	264.0
162.57589721679688	184.0
162.68179321289062	128.0
162.78517150878906	176.0
162.813720703125	172.0
162.8353271484375	96.0
162.8614044189453	156.0
162.88250732421875	132.0
162.94094848632812	96.0
162.97482299804688	168.0
163.04806518554688	180.0
163.09486389160156	14008.0
163.14341735839844	180.0
163.16567993164062	128.0
163.3049774169922	192.0
163.45623779296875	140.0
163.70919799804688	108.0
164.01441955566406	96.0
164.0547637939453	184.0
164.0980987548828	1356.0
164.16815185546875	144.0
164.31890869140625	148.0
164.35507202148438	192.0
164.3964080810547	152.0
164.43701171875	140.0
165.42587280273438	136.0
165.66213989257812	196.0
166.91461181640625	224.0
167.58641052246094	148.0
167.9189453125	196.0
168.03244018554688	152.0
168.13307189941406	204.0
168.84092712402344	232.0
169.1410675048828	148.0
169.23684692382812	148.0
169.4673614501953	260.0
169.66433715820312	184.0
169.7628631591797	160.0
170.1067657470703	188.0
170.13751220703125	160.0
171.10366821289062	136.0
171.25982666015625	184.0
172.07778930664062	216.0
172.8968048095703	148.0
172.94915771484375	152.0
173.08375549316406	3900.0
174.08709716796875	452.0
174.38909912109375	160.0
174.9546356201172	208.0
174.99676513671875	216.0
175.09600830078125	360.0
175.69253540039062	204.0
175.7321014404297	184.0
175.9440460205078	184.0
176.10740661621094	39372.0
176.1672821044922	188.0
176.59327697753906	232.0
176.7104949951172	124.0
176.94522094726562	172.0
177.03713989257812	112.0
177.0670166015625	152.0
177.1110382080078	3168.0
177.17819213867188	144.0
178.1170196533203	288.0
178.4443359375	140.0
179.76535034179688	224.0
179.94151306152344	204.0
180.97621154785156	144.0
181.2842559814453	140.0
182.59432983398438	156.0
183.63121032714844	172.0
183.93341064453125	156.0
183.95230102539062	204.0
184.0710906982422	176.0
184.947021484375	220.0
185.40870666503906	112.0
186.0557098388672	140.0
186.25938415527344	172.0
186.61810302734375	200.0
186.96356201171875	228.0
187.1051025390625	160.0
187.61453247070312	140.0
188.02914428710938	184.0
188.10777282714844	15336.0
188.4076385498047	96.0
188.50978088378906	184.0
189.11203002929688	1724.0
190.1098175048828	640.0
190.5950469970703	184.0
194.51675415039062	160.0
194.6750030517578	160.0
196.0380859375	148.0
198.95816040039062	212.0
200.07986450195312	148.0
201.266845703125	144.0
201.30918884277344	156.0
202.14309692382812	148.0
203.1233673095703	196.0
204.1827850341797	164.0
207.0538330078125	200.0
207.28587341308594	180.0
210.1064453125	140.0
210.56829833984375	168.0
211.8902130126953	140.0
213.94967651367188	200.0
216.2465057373047	176.0
217.10195922851562	176.0
217.44813537597656	168.0
218.09817504882812	152.0
218.13937377929688	268.0
218.2238311767578	120.0
218.47068786621094	200.0
218.67831420898438	156.0
218.7487030029297	164.0
218.9178466796875	204.0
219.00062561035156	124.0
219.0326385498047	176.0
219.07867431640625	440.0
219.11439514160156	133280.0
219.31568908691406	124.0
219.3460235595703	120.0
219.40936279296875	140.0
219.43487548828125	184.0
219.4950714111328	236.0
219.5976104736328	480.0
219.6573486328125	200.0
219.7551727294922	140.0
219.78451538085938	120.0
219.86199951171875	100.0
219.9451141357422	176.0
220.06478881835938	120.0
220.1168670654297	14784.0
220.1985626220703	152.0
220.7423095703125	180.0
221.03208923339844	132.0
221.11875915527344	1480.0
221.3027801513672	208.0
221.38204956054688	196.0
221.5675048828125	256.0
221.58824157714844	172.0
221.6424560546875	156.0
221.68833923339844	120.0
221.767578125	116.0
221.84364318847656	132.0
225.9289093017578	144.0
227.12413024902344	184.0
228.49093627929688	156.0
231.83250427246094	152.0
232.0941619873047	180.0
232.72222900390625	144.0
232.8356170654297	164.0
233.1293182373047	18832.0
233.38818359375	112.0
234.13204956054688	3148.0
235.13133239746094	288.0
235.84327697753906	140.0
245.1287841796875	6268.0
245.9641876220703	160.0
246.13525390625	808.0
247.62445068359375	152.0
261.1429138183594	168.0
262.12481689453125	160.0
262.3600769042969	152.0
273.7843017578125	184.0
276.1715087890625	7896.0
277.1746826171875	1272.0
277.564697265625	172.0
278.15045166015625	500.0
278.2123718261719	168.0
278.85272216796875	212.0
765.73291015625	160.0
1212.3536376953125	152.0
1304.159423828125	140.0
1325.398193359375	148.0
1327.6090087890625	220.0
1344.2823486328125	148.0
1350.9603271484375	140.0
1373.821533203125	160.0
1383.6060791015625	196.0
1401.3563232421875	200.0
1409.8778076171875	208.0
1447.6805419921875	148.0
1471.52587890625	164.0
1480.1275634765625	160.0
1507.6051025390625	180.0
1512.454345703125	216.0
1546.9459228515625	176.0
1558.3251953125	216.0
1559.41748046875	240.0
1559.4803466796875	188.0
1564.1446533203125	144.0
1596.8304443359375	152.0
1597.49853515625	276.0
1612.4488525390625	224.0
1615.583251953125	176.0
1627.5731201171875	164.0
1634.1478271484375	152.0
1638.2294921875	148.0
1640.1876220703125	280.0
1642.703369140625	152.0
1644.833740234375	200.0
1668.75634765625	240.0
1670.04931640625	168.0
1684.5992431640625	188.0
1686.5848388671875	168.0
1689.4796142578125	148.0
1691.6727294921875	144.0
1695.8173828125	236.0
1701.0750732421875	140.0
1716.080810546875	172.0
1716.7899169921875	156.0
1717.5570068359375	192.0
1721.650634765625	176.0
1722.022216796875	148.0
1742.0257568359375	152.0
1748.49462890625	164.0
1755.55078125	160.0
1756.29296875	192.0
1762.25341796875	188.0
1764.501708984375	168.0
1768.8182373046875	200.0
1770.6937255859375	184.0
1799.4859619140625	148.0
1804.36083984375	228.0
1809.0474853515625	184.0
1809.826416015625	144.0
1810.4022216796875	224.0
1826.017578125	180.0
1826.170654296875	192.0
1829.0380859375	240.0
1830.09375	168.0
1839.684814453125	164.0
1843.075439453125	252.0
1843.7396240234375	188.0
1844.5625	156.0
1846.18701171875	148.0
1850.0543212890625	172.0
1853.934326171875	156.0
1854.0286865234375	148.0
1854.739990234375	148.0
1861.1226806640625	216.0
1861.5692138671875	172.0
1863.3128662109375	156.0
1875.601318359375	156.0
1886.5987548828125	240.0
1897.073486328125	144.0
1899.9178466796875	152.0
1900.5511474609375	152.0
1904.2840576171875	164.0
1904.431640625	152.0
1904.9788818359375	156.0
1909.446533203125	172.0
1913.423095703125	188.0
1919.853515625	196.0
1931.5482177734375	148.0
1933.359375	204.0
1934.943603515625	196.0
1937.7462158203125	224.0
1940.34033203125	216.0
1941.9100341796875	152.0
1943.1556396484375	140.0
1945.2882080078125	144.0
1945.6744384765625	140.0
1946.5611572265625	156.0
1948.774658203125	180.0
1953.064697265625	168.0
1954.0762939453125	148.0
1960.58349609375	164.0
1977.407470703125	140.0
1979.5499267578125	224.0
1979.673828125	176.0
1982.6060791015625	148.0
1991.3536376953125	216.0
1993.947998046875	208.0
1995.9925537109375	156.0
1996.570556640625	192.0
1999.26611328125	148.0
2001.27783203125	184.0
2001.6429443359375	268.0
2001.990234375	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079264
PEPMASS=270.174957
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=RIZATRIPTAN BENZOATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
INCHI=InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3
INCHIAUX=ULFRLSNUDGIQQP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079264
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079264
SCANS=1014
45.27469253540039	156.0
48.003753662109375	188.0
49.156524658203125	204.0
49.66016387939453	144.0
49.734527587890625	164.0
50.167781829833984	152.0
51.149471282958984	148.0
51.91815185546875	152.0
59.129425048828125	140.0
62.67979431152344	140.0
63.0458984375	216.0
66.36284637451172	168.0
67.74979400634766	160.0
68.89479064941406	184.0
70.14437103271484	144.0
74.83943176269531	144.0
75.01171112060547	204.0
75.3724136352539	220.0
79.79499053955078	196.0
80.01203918457031	140.0
83.07261657714844	148.0
84.94424438476562	172.0
87.78704071044922	180.0
88.58511352539062	168.0
88.64506530761719	220.0
94.8533706665039	196.0
97.50987243652344	144.0
98.15360260009766	144.0
100.02980041503906	140.0
101.9338150024414	168.0
102.89860534667969	248.0
106.5565414428711	164.0
107.17378234863281	164.0
107.36548614501953	248.0
109.61264038085938	252.0
110.17806243896484	196.0
110.58162689208984	152.0
111.00690460205078	220.0
113.50994873046875	176.0
115.05249786376953	288.0
116.91299438476562	148.0
117.06697082519531	156.0
118.06827545166016	224.0
121.82054901123047	168.0
124.92204284667969	156.0
128.0642852783203	128.0
130.06578063964844	144.0
130.39971923828125	156.0
130.79776000976562	156.0
131.0855712890625	276.0
132.0801239013672	180.0
133.7812957763672	252.0
138.08717346191406	200.0
141.0697784423828	304.0
142.0634765625	280.0
143.07379150390625	1196.0
144.0784149169922	332.0
144.73497009277344	172.0
145.03204345703125	208.0
145.07757568359375	156.0
145.6246795654297	164.0
147.22865295410156	144.0
148.49681091308594	156.0
149.75091552734375	208.0
150.39215087890625	196.0
150.93939208984375	180.0
151.1986846923828	208.0
152.89697265625	184.0
153.3156280517578	264.0
153.4438018798828	188.0
153.7694091796875	168.0
153.93975830078125	196.0
154.0655517578125	292.0
155.89674377441406	168.0
156.08053588867188	6096.0
156.18515014648438	164.0
157.08689880371094	1180.0
157.43128967285156	172.0
157.94114685058594	140.0
158.05120849609375	180.0
158.09713745117188	19980.0
158.1663360595703	152.0
158.5294952392578	236.0
158.94497680664062	144.0
158.97586059570312	156.0
159.06118774414062	160.0
159.1005401611328	2776.0
159.96109008789062	184.0
160.10414123535156	288.0
160.37342834472656	284.0
164.5063018798828	164.0
165.73646545410156	184.0
166.62161254882812	212.0
167.03807067871094	144.0
167.07708740234375	192.0
168.08148193359375	156.0
169.07896423339844	144.0
170.09690856933594	476.0
172.0577850341797	144.0
172.1114501953125	904.0
173.11793518066406	404.0
174.11587524414062	172.0
174.71253967285156	144.0
175.12318420410156	152.0
177.3425750732422	140.0
179.07754516601562	196.0
180.08038330078125	204.0
180.54541015625	144.0
181.49603271484375	228.0
183.0891876220703	128.0
185.0417938232422	164.0
186.1127471923828	148.0
195.091796875	200.0
196.08270263671875	188.0
196.10499572753906	184.0
200.4150390625	236.0
200.51495361328125	132.0
200.58694458007812	148.0
200.85366821289062	172.0
200.87457275390625	184.0
200.90438842773438	188.0
200.94325256347656	188.0
201.0762939453125	120.0
201.13943481445312	52328.0
201.299560546875	112.0
201.43736267089844	100.0
201.5840301513672	148.0
202.14227294921875	6904.0
202.49415588378906	148.0
203.05247497558594	156.0
203.14463806152344	984.0
203.41604614257812	116.0
203.63429260253906	120.0
204.16574096679688	208.0
219.11248779296875	144.0
223.20884704589844	172.0
225.1143341064453	1384.0
226.1149444580078	792.0
240.68336486816406	184.0
243.10711669921875	224.0
268.1528625488281	168.0
269.1279602050781	164.0
269.4349670410156	156.0
269.62774658203125	168.0
270.12799072265625	176.0
270.17138671875	3988.0
270.5992431640625	168.0
271.1755065917969	1144.0
272.17083740234375	160.0
272.69537353515625	152.0
272.8959045410156	140.0
545.3662719726562	144.0
1393.0985107421875	172.0
1450.93115234375	152.0
1527.2589111328125	184.0
1553.34033203125	240.0
1584.8516845703125	232.0
1660.222412109375	172.0
1730.556396484375	156.0
1760.708251953125	156.0
1794.5335693359375	192.0
1842.83642578125	196.0
1852.769287109375	168.0
1852.846435546875	140.0
1923.5966796875	264.0
1942.6119384765625	140.0
1960.4779052734375	184.0
1961.39453125	164.0
1963.492919921875	148.0
1978.142333984375	144.0
1978.691162109375	176.0
1980.0194091796875	176.0
1996.8287353515625	212.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079265
PEPMASS=359.20343
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=29.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=ITOPRIDE HCl [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=COc1ccc(cc1OC)C(=O)NCc2ccc(OCCN(C)C)cc2
INCHI=InChI=1S/C20H26N2O4/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)
INCHIAUX=QQQIECGTIMUVDS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079265
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079265
SCANS=1057
44.988563537597656	236.0
47.61842346191406	268.0
48.16523742675781	148.0
49.6110954284668	160.0
50.88790512084961	196.0
52.724361419677734	196.0
54.35246276855469	188.0
55.13736343383789	144.0
59.068233489990234	216.0
59.7093620300293	172.0
60.09446716308594	164.0
60.81715774536133	152.0
61.701969146728516	164.0
62.43894958496094	140.0
64.08208465576172	176.0
64.79304504394531	192.0
65.80143737792969	148.0
66.04706573486328	144.0
66.16033935546875	164.0
68.19120788574219	248.0
74.1283187866211	144.0
75.43464660644531	164.0
75.88822174072266	144.0
77.7635269165039	204.0
78.30327606201172	140.0
78.41033935546875	240.0
80.06903076171875	148.0
81.40492248535156	140.0
82.89132690429688	156.0
84.15914154052734	152.0
85.4715347290039	188.0
86.49395751953125	184.0
89.44703674316406	144.0
90.89852142333984	140.0
91.31645965576172	220.0
91.58350372314453	144.0
92.2584228515625	180.0
92.73888397216797	204.0
92.92681121826172	176.0
93.26671600341797	140.0
93.92716979980469	152.0
93.99662017822266	196.0
95.2608871459961	272.0
96.28540802001953	156.0
97.43128967285156	160.0
97.58851623535156	160.0
97.73210144042969	148.0
98.04322814941406	176.0
98.955810546875	160.0
99.65792846679688	196.0
100.77169036865234	204.0
102.06649780273438	156.0
104.56487274169922	148.0
105.07225036621094	140.0
105.4071044921875	168.0
105.46841430664062	184.0
105.84688568115234	156.0
106.02305603027344	172.0
106.5586166381836	140.0
109.02790069580078	172.0
109.063232421875	160.0
110.49585723876953	156.0
111.02579498291016	160.0
112.32772064208984	144.0
112.6697006225586	148.0
113.47816467285156	152.0
113.4993667602539	156.0
114.12361145019531	204.0
114.72399139404297	148.0
116.01734161376953	180.0
119.09014129638672	188.0
121.02884674072266	156.0
121.06566619873047	308.0
123.04280090332031	172.0
123.1929702758789	152.0
124.63304901123047	176.0
124.7730712890625	176.0
124.98881530761719	148.0
126.12619018554688	168.0
126.17760467529297	140.0
127.03531646728516	172.0
127.78341674804688	176.0
129.28846740722656	144.0
129.55111694335938	140.0
130.3701934814453	200.0
132.2609100341797	192.0
133.0648956298828	1172.0
134.06842041015625	144.0
134.9501953125	192.0
136.0065460205078	180.0
136.18069458007812	152.0
136.23277282714844	152.0
137.05859375	264.0
137.818359375	172.0
139.81626892089844	156.0
140.51373291015625	204.0
141.06398010253906	200.0
143.68336486816406	160.0
144.7565460205078	188.0
147.6878662109375	160.0
147.75076293945312	144.0
149.27638244628906	228.0
149.843505859375	164.0
150.8807373046875	164.0
154.78298950195312	156.0
156.65065002441406	152.0
157.81613159179688	208.0
158.3842010498047	188.0
158.6573486328125	144.0
160.7146453857422	204.0
162.79791259765625	188.0
163.58914184570312	160.0
164.11090087890625	532.0
164.4476318359375	156.0
164.73313903808594	132.0
164.9226837158203	156.0
165.01866149902344	184.0
165.05531311035156	21480.0
165.54331970214844	116.0
165.7124786376953	172.0
165.8461456298828	96.0
165.97999572753906	156.0
166.0220489501953	108.0
166.05763244628906	2192.0
166.12355041503906	33580.0
166.1826171875	188.0
166.298095703125	164.0
166.7650604248047	188.0
167.06036376953125	228.0
167.1265106201172	4216.0
167.56202697753906	116.0
168.0803985595703	140.0
168.1261444091797	588.0
168.4106903076172	148.0
170.90843200683594	152.0
173.18484497070312	172.0
175.01524353027344	156.0
176.03834533691406	144.0
177.31610107421875	172.0
178.1234588623047	5480.0
178.53997802734375	160.0
178.80068969726562	144.0
179.12489318847656	584.0
180.12771606445312	192.0
180.738037109375	164.0
181.8474884033203	180.0
182.0810546875	192.0
189.28395080566406	168.0
189.39076232910156	208.0
192.6531524658203	148.0
193.59120178222656	104.0
193.72372436523438	144.0
194.08522033691406	148.0
194.1616668701172	216.0
194.3114471435547	160.0
194.8333740234375	156.0
195.0501251220703	168.0
196.6991424560547	140.0
202.5536651611328	180.0
204.51571655273438	164.0
205.78713989257812	200.0
206.22991943359375	164.0
207.908203125	164.0
210.05746459960938	176.0
215.38986206054688	164.0
218.42955017089844	152.0
220.31321716308594	160.0
222.9710693359375	196.0
224.6712646484375	160.0
226.9232635498047	172.0
227.5172882080078	188.0
228.25338745117188	156.0
231.31179809570312	168.0
231.66688537597656	144.0
232.10768127441406	144.0
233.03208923339844	160.0
234.0631866455078	160.0
234.31903076171875	192.0
236.03131103515625	148.0
238.112060546875	192.0
240.5228729248047	152.0
242.7039031982422	232.0
243.66604614257812	140.0
243.88978576660156	140.0
251.0343017578125	164.0
251.67169189453125	172.0
252.68307495117188	216.0
256.5321044921875	140.0
257.7160949707031	172.0
259.18475341796875	160.0
263.1957702636719	140.0
263.2635803222656	176.0
264.618408203125	168.0
266.4410705566406	208.0
270.11102294921875	584.0
271.02508544921875	144.0
271.7857666015625	180.0
273.8370666503906	176.0
277.3194580078125	176.0
278.42755126953125	152.0
279.4147644042969	156.0
279.81414794921875	232.0
281.217529296875	160.0
281.5079650878906	204.0
283.0193786621094	148.0
283.2213439941406	140.0
285.3999938964844	148.0
285.6673278808594	156.0
288.52490234375	164.0
288.699462890625	212.0
289.83685302734375	140.0
291.42138671875	156.0
291.9414367675781	148.0
294.5487365722656	180.0
296.5893249511719	176.0
299.11614990234375	140.0
299.1815490722656	148.0
299.918701171875	152.0
303.3164978027344	152.0
303.3442077636719	144.0
309.93463134765625	176.0
310.4849853515625	160.0
311.1025085449219	172.0
314.6511535644531	196.0
315.2515869140625	188.0
316.1852111816406	144.0
316.8863220214844	144.0
317.4676513671875	188.0
317.69464111328125	160.0
320.0545349121094	164.0
320.9096374511719	192.0
321.45538330078125	160.0
323.2921447753906	140.0
325.6439514160156	196.0
326.5173034667969	164.0
326.60003662109375	144.0
330.47808837890625	180.0
332.0901184082031	156.0
332.39483642578125	184.0
332.86309814453125	192.0
333.35711669921875	160.0
334.1534118652344	160.0
334.9251403808594	184.0
337.7978515625	140.0
341.4731140136719	172.0
344.2370300292969	192.0
346.37841796875	168.0
346.92315673828125	148.0
347.6167297363281	152.0
349.4634094238281	152.0
353.0055236816406	160.0
354.0697326660156	140.0
354.8707580566406	156.0
355.6280517578125	144.0
355.90655517578125	140.0
356.0611572265625	156.0
356.4398498535156	148.0
356.51904296875	100.0
356.5722961425781	228.0
356.77020263671875	136.0
357.0798645019531	144.0
357.1567077636719	244.0
357.26019287109375	236.0
357.3656311035156	128.0
357.4444274902344	128.0
357.564208984375	384.0
357.5940856933594	100.0
357.6950378417969	164.0
357.77197265625	140.0
357.8611755371094	144.0
357.9093017578125	128.0
357.9924621582031	272.0
358.0749206542969	108.0
358.238037109375	200.0
358.2756042480469	188.0
358.337646484375	100.0
358.3886413574219	316.0
358.4253234863281	120.0
358.515625	124.0
358.5466613769531	196.0
358.6341247558594	144.0
358.68548583984375	240.0
358.74676513671875	208.0
358.8205261230469	184.0
358.84906005859375	196.0
358.9045104980469	136.0
358.9504089355469	216.0
359.0050048828125	212.0
359.0701599121094	304.0
359.1993103027344	219836.0
359.34930419921875	212.0
359.3865661621094	112.0
359.5530700683594	388.0
359.5822448730469	228.0
359.6318054199219	240.0
359.6789855957031	200.0
359.7164306640625	204.0
359.7752685546875	428.0
359.8189392089844	2232.0
359.8769836425781	312.0
359.9324035644531	172.0
359.9885559082031	96.0
360.04150390625	124.0
360.08447265625	264.0
360.1212158203125	284.0
360.15594482421875	456.0
360.2008056640625	53384.0
360.32177734375	224.0
360.3817138671875	212.0
360.4407958984375	188.0
360.4867858886719	196.0
360.58612060546875	188.0
360.7021484375	136.0
360.7695617675781	108.0
360.9128112792969	116.0
361.0793762207031	256.0
361.1512145996094	200.0
361.2026062011719	8084.0
361.6577453613281	192.0
361.7130126953125	364.0
361.76214599609375	96.0
361.81060791015625	160.0
361.8846130371094	112.0
361.9980773925781	120.0
362.0724792480469	140.0
362.13543701171875	208.0
362.2075500488281	528.0
362.2677001953125	148.0
362.3248596191406	192.0
362.3754577636719	188.0
362.43853759765625	204.0
362.4837646484375	232.0
362.5491027832031	116.0
362.5752868652344	256.0
362.6690673828125	360.0
362.7551574707031	100.0
362.88433837890625	124.0
362.94573974609375	112.0
363.22259521484375	112.0
363.2828063964844	168.0
363.3444519042969	172.0
363.435546875	144.0
363.677490234375	100.0
363.74395751953125	96.0
364.0612487792969	148.0
364.5181884765625	104.0
364.96246337890625	120.0
366.071533203125	168.0
367.5047302246094	160.0
375.28704833984375	152.0
376.448486328125	156.0
383.22100830078125	144.0
388.7601623535156	116.0
426.8453063964844	152.0
467.374755859375	156.0
542.5997314453125	144.0
873.5794677734375	152.0
1406.285888671875	188.0
1495.1201171875	176.0
1713.9794921875	152.0
1784.80908203125	152.0
1825.07421875	172.0
1861.6212158203125	140.0
1889.3492431640625	144.0
1895.0633544921875	212.0
1910.830078125	152.0
1914.1375732421875	236.0
1918.7117919921875	164.0
1918.7728271484375	156.0
1920.8046875	196.0
1970.4754638671875	168.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079266
PEPMASS=220.051544
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=Cc1ncc([N+](=O)[O-])n1CC(O)CCl
INCHI=InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3
INCHIAUX=IPWKIXLWTCNBKN-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079266
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079266
SCANS=1078
45.70560073852539	144.0
46.485286712646484	180.0
46.75436019897461	148.0
48.25782012939453	160.0
48.275794982910156	148.0
49.50880432128906	204.0
50.190338134765625	152.0
51.261985778808594	240.0
51.813514709472656	180.0
52.099002838134766	176.0
53.299652099609375	176.0
53.447967529296875	208.0
54.677215576171875	236.0
54.92474365234375	176.0
55.35926055908203	160.0
55.504478454589844	180.0
56.76034164428711	204.0
56.89655303955078	184.0
57.38853073120117	220.0
57.49412155151367	192.0
57.86445617675781	164.0
58.18586730957031	172.0
59.38682174682617	160.0
59.49116516113281	216.0
60.287471771240234	180.0
60.589195251464844	188.0
62.04011154174805	172.0
62.21110534667969	168.0
63.0727653503418	160.0
64.27181243896484	196.0
64.9212646484375	224.0
65.55464172363281	172.0
65.61589050292969	160.0
66.23967742919922	168.0
66.27532196044922	172.0
66.72978210449219	160.0
66.98528289794922	176.0
67.04393768310547	292.0
67.2918701171875	184.0
68.8138656616211	192.0
69.22724914550781	200.0
69.62193298339844	212.0
69.66677856445312	196.0
70.1376953125	172.0
70.7239761352539	140.0
71.94606018066406	192.0
72.55000305175781	160.0
73.53658294677734	192.0
74.14543914794922	140.0
74.2157211303711	216.0
74.57279205322266	168.0
74.80500030517578	172.0
75.63355255126953	188.0
75.67337036132812	208.0
75.7253189086914	216.0
75.85700225830078	196.0
76.15371704101562	220.0
76.28056335449219	192.0
77.06304931640625	160.0
77.41288757324219	200.0
79.74877166748047	164.0
80.66495513916016	160.0
81.77884674072266	208.0
82.05265045166016	236.0
82.18611907958984	160.0
82.381103515625	164.0
83.58912658691406	180.0
83.60315704345703	148.0
85.401611328125	168.0
85.57643127441406	180.0
86.5439224243164	176.0
86.85155487060547	212.0
86.91462707519531	188.0
87.14857482910156	196.0
87.16529846191406	240.0
87.61183166503906	188.0
87.93441772460938	180.0
88.28377532958984	208.0
89.26261138916016	220.0
89.98806762695312	140.0
90.08816528320312	148.0
93.01367950439453	116.0
93.938720703125	160.0
94.24182891845703	152.0
94.28627014160156	156.0
94.52025604248047	148.0
95.00850677490234	208.0
95.05895233154297	156.0
95.16764831542969	176.0
96.30687713623047	192.0
98.0490951538086	432.0
98.07276916503906	228.0
99.04474639892578	148.0
99.1895523071289	204.0
100.27877807617188	168.0
100.33259582519531	180.0
100.35054016113281	180.0
101.06558227539062	140.0
101.1496353149414	192.0
102.15094757080078	152.0
102.36026000976562	204.0
104.04448699951172	236.0
104.72569274902344	204.0
104.91519927978516	168.0
105.21917724609375	188.0
106.0968246459961	184.0
106.39429473876953	172.0
106.83613586425781	148.0
108.02022552490234	192.0
108.07608032226562	328.0
108.73090362548828	160.0
110.07571411132812	192.0
110.2699966430664	144.0
110.98593139648438	148.0
111.0428695678711	1676.0
111.31117248535156	188.0
111.4540023803711	160.0
112.04322814941406	156.0
112.69292449951172	252.0
114.03430938720703	184.0
114.62805938720703	176.0
114.73462677001953	180.0
114.79774475097656	152.0
114.86683654785156	152.0
115.65958404541016	192.0
116.17172241210938	140.0
116.5710678100586	176.0
116.73443603515625	140.0
117.06798553466797	204.0
117.31576538085938	140.0
119.85151672363281	148.0
121.21281433105469	144.0
122.0597915649414	364.0
123.29016876220703	176.0
124.86421203613281	168.0
125.0755844116211	156.0
125.45872497558594	220.0
125.58583068847656	224.0
125.65052032470703	208.0
126.0702896118164	144.0
126.31623077392578	188.0
126.92764282226562	140.0
127.5450210571289	208.0
127.70465850830078	168.0
127.86687469482422	160.0
127.89260864257812	248.0
127.95569610595703	172.0
127.99685668945312	188.0
128.04644775390625	66888.0
128.13731384277344	112.0
128.16615295410156	176.0
128.20584106445312	108.0
128.30096435546875	236.0
128.4166717529297	124.0
128.4861602783203	176.0
128.5881805419922	276.0
128.96728515625	228.0
129.04827880859375	3148.0
129.11534118652344	116.0
129.69700622558594	152.0
129.84312438964844	104.0
129.86911010742188	116.0
129.94630432128906	232.0
129.97679138183594	120.0
130.05320739746094	472.0
130.214599609375	100.0
131.0528106689453	176.0
132.8291473388672	168.0
136.5641632080078	148.0
138.73577880859375	160.0
138.96954345703125	124.0
139.0852813720703	448.0
139.58570861816406	224.0
140.9268798828125	204.0
142.74490356445312	144.0
147.0701141357422	296.0
147.3011016845703	144.0
147.42674255371094	216.0
147.56935119628906	204.0
148.4992218017578	172.0
148.90939331054688	180.0
149.29095458984375	188.0
150.5948028564453	144.0
152.15219116210938	140.0
153.44873046875	184.0
153.57696533203125	140.0
154.3944549560547	168.0
156.01107788085938	144.0
158.6773681640625	188.0
159.2369384765625	172.0
160.076904296875	164.0
160.9796600341797	148.0
161.18931579589844	184.0
162.09129333496094	552.0
164.31097412109375	96.0
174.0577850341797	592.0
174.47059631347656	168.0
175.26280212402344	204.0
175.96701049804688	164.0
176.05560302734375	204.0
176.9849395751953	152.0
178.7128448486328	184.0
180.90928649902344	144.0
181.08334350585938	164.0
182.06222534179688	164.0
184.15213012695312	156.0
186.6969757080078	160.0
188.0537109375	148.0
188.46060180664062	200.0
188.65191650390625	144.0
189.55784606933594	176.0
190.22430419921875	188.0
191.75083923339844	164.0
193.17005920410156	180.0
194.83056640625	208.0
196.9587860107422	172.0
199.95321655273438	172.0
200.02357482910156	184.0
200.91970825195312	256.0
202.45167541503906	156.0
202.76612854003906	196.0
208.76425170898438	156.0
210.5596466064453	172.0
211.84967041015625	156.0
216.74728393554688	168.0
217.4540252685547	148.0
217.64190673828125	184.0
218.6266326904297	156.0
219.11541748046875	168.0
219.3423309326172	148.0
219.451416015625	140.0
219.55833435058594	108.0
219.61474609375	216.0
219.65634155273438	228.0
219.7943115234375	140.0
219.85232543945312	168.0
219.9125518798828	112.0
219.97401428222656	136.0
220.0501708984375	100112.0
220.1207275390625	116.0
220.17730712890625	284.0
220.41445922851562	200.0
220.49615478515625	108.0
220.5348358154297	360.0
220.5601806640625	164.0
220.58607482910156	288.0
220.72079467773438	96.0
221.0515594482422	5672.0
221.9346466064453	152.0
222.0460205078125	28432.0
222.2684326171875	120.0
222.39022827148438	144.0
222.42230224609375	96.0
222.5362091064453	232.0
222.59988403320312	188.0
222.63636779785156	252.0
222.7057647705078	240.0
222.7476348876953	108.0
222.78579711914062	116.0
222.89739990234375	108.0
222.9442901611328	140.0
223.0003204345703	140.0
223.04824829101562	1268.0
223.5074005126953	108.0
230.85157775878906	100.0
232.71617126464844	188.0
281.1206970214844	176.0
1094.6922607421875	188.0
1105.11474609375	176.0
1157.602294921875	216.0
1269.802490234375	208.0
1272.03759765625	172.0
1332.949951171875	136.0
1475.4835205078125	180.0
1476.125732421875	160.0
1526.6055908203125	156.0
1541.30712890625	200.0
1544.2386474609375	188.0
1597.0771484375	160.0
1610.6751708984375	148.0
1629.5811767578125	192.0
1641.356689453125	200.0
1643.671630859375	160.0
1672.9869384765625	148.0
1680.492919921875	172.0
1703.55517578125	180.0
1728.652587890625	416.0
1796.574462890625	208.0
1798.70947265625	140.0
1805.434814453125	160.0
1811.562744140625	184.0
1825.0908203125	148.0
1831.124267578125	236.0
1836.7239990234375	172.0
1860.1612548828125	188.0
1883.937255859375	168.0
1908.864013671875	168.0
1913.388427734375	172.0
1914.9644775390625	144.0
1929.5020751953125	172.0
1934.252197265625	248.0
1946.596435546875	208.0
1961.26220703125	224.0
1963.0078125	164.0
1964.6427001953125	176.0
1971.5	144.0
1982.8277587890625	156.0
1987.820556640625	160.0
1992.6241455078125	152.0
1993.5482177734375	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079267
PEPMASS=269.168182
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=26.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="Acetamide, 2-amino-N-(1-methyl-1,2-diphenylethyl)-, (+/-)- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(Cc1ccccc1)(NC(=O)CN)c2ccccc2
INCHI=InChI=1S/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)
INCHIAUX=YSGASDXSLKIKOD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079267
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079267
SCANS=1125
45.0606575012207	144.0
48.1016960144043	220.0
49.04214859008789	140.0
49.09452819824219	164.0
49.18860626220703	168.0
49.50738525390625	220.0
49.55080795288086	168.0
50.063499450683594	140.0
51.01005172729492	160.0
51.95685958862305	176.0
52.2398681640625	148.0
52.42296600341797	188.0
52.657875061035156	144.0
52.770591735839844	196.0
52.92106246948242	144.0
53.4421272277832	156.0
53.46832275390625	156.0
53.591426849365234	200.0
54.06375503540039	176.0
54.468414306640625	152.0
54.8421516418457	140.0
55.229000091552734	140.0
55.393306732177734	204.0
55.47629165649414	216.0
55.94721603393555	168.0
55.96805953979492	208.0
56.08872985839844	152.0
56.51435089111328	180.0
57.37946319580078	188.0
57.75245666503906	248.0
58.031097412109375	180.0
59.209014892578125	184.0
60.75040054321289	152.0
61.014408111572266	176.0
61.12017059326172	152.0
63.1043586730957	144.0
64.22393035888672	212.0
64.39790344238281	148.0
64.53213500976562	176.0
66.43904876708984	228.0
67.66788482666016	192.0
68.076171875	144.0
68.81475830078125	184.0
68.99061584472656	156.0
69.1113510131836	156.0
69.16099548339844	140.0
70.27942657470703	144.0
70.3294906616211	144.0
70.69383239746094	172.0
70.79191589355469	192.0
70.87635040283203	144.0
72.11833190917969	176.0
74.05632781982422	172.0
74.22769927978516	144.0
74.32032775878906	140.0
74.68452453613281	148.0
75.03278350830078	300.0
75.57295989990234	164.0
75.9402084350586	184.0
75.99745178222656	148.0
76.36399841308594	164.0
76.71572875976562	156.0
77.30607604980469	156.0
77.50569915771484	212.0
78.01115417480469	188.0
78.0533447265625	208.0
78.06917572021484	180.0
78.7088394165039	256.0
78.88374328613281	164.0
79.1756820678711	152.0
79.32451629638672	172.0
79.59596252441406	156.0
79.61371612548828	216.0
79.93903350830078	216.0
80.69532012939453	144.0
80.86600494384766	128.0
81.45696258544922	188.0
81.79681396484375	148.0
82.4967269897461	184.0
82.97828674316406	144.0
83.17964935302734	172.0
83.41943359375	164.0
84.12623596191406	188.0
84.38565826416016	140.0
85.11856842041016	172.0
85.38134765625	160.0
87.06495666503906	144.0
87.34002685546875	184.0
88.21456909179688	148.0
88.47459411621094	192.0
89.6948013305664	208.0
90.22419738769531	208.0
90.3111801147461	152.0
90.87950134277344	144.0
90.93832397460938	156.0
91.05516052246094	9724.0
91.13201904296875	188.0
91.83637237548828	148.0
92.06013488769531	688.0
92.92676544189453	148.0
93.06495666503906	148.0
93.18403625488281	144.0
93.3397216796875	152.0
93.3570327758789	160.0
95.2511215209961	196.0
96.20335388183594	160.0
97.34088897705078	184.0
97.80683135986328	140.0
98.13187408447266	200.0
99.20735931396484	216.0
99.75128173828125	212.0
100.35250091552734	196.0
101.81324768066406	188.0
102.340087890625	152.0
102.70686340332031	204.0
103.09651947021484	140.0
104.18864440917969	204.0
105.30081939697266	156.0
105.55626678466797	196.0
106.98014831542969	172.0
109.55634307861328	152.0
111.6010971069336	196.0
113.09679412841797	216.0
113.89191436767578	148.0
114.80708312988281	188.0
115.05442810058594	7692.0
115.08661651611328	168.0
116.05895233154297	712.0
116.61393737792969	124.0
116.7189712524414	184.0
116.94738006591797	156.0
117.03984832763672	164.0
117.07038116455078	24148.0
117.1799545288086	176.0
117.29632568359375	176.0
117.34590148925781	188.0
117.54434204101562	140.0
118.02469635009766	116.0
118.07311248779297	2356.0
118.96326446533203	120.0
121.70630645751953	164.0
121.74695587158203	172.0
122.42975616455078	172.0
122.48481750488281	176.0
123.03611755371094	156.0
123.4183349609375	164.0
123.71479797363281	228.0
123.98945617675781	164.0
124.40200805664062	204.0
126.8536148071289	140.0
127.01516723632812	452.0
127.46182250976562	152.0
127.65963745117188	140.0
128.0176239013672	156.0
128.22470092773438	216.0
129.064453125	184.0
129.08824157714844	116.0
130.09303283691406	172.0
131.1370849609375	152.0
131.917724609375	260.0
132.81304931640625	140.0
133.0654754638672	220.0
133.35031127929688	176.0
134.7860107421875	216.0
136.64088439941406	152.0
136.68508911132812	172.0
136.7618865966797	160.0
137.11590576171875	180.0
138.89048767089844	192.0
139.1533203125	176.0
139.4187469482422	160.0
141.0733642578125	164.0
141.60101318359375	184.0
141.74789428710938	160.0
142.0418701171875	148.0
142.4549102783203	228.0
142.8828125	152.0
145.61500549316406	192.0
146.13905334472656	216.0
146.92446899414062	148.0
147.1151123046875	204.0
147.4798583984375	200.0
148.08956909179688	160.0
148.84378051757812	176.0
150.38722229003906	324.0
150.65261840820312	216.0
151.0542755126953	440.0
151.89401245117188	172.0
152.06295776367188	576.0
152.8526153564453	176.0
153.0712432861328	516.0
155.08514404296875	172.0
156.0374755859375	172.0
156.33436584472656	176.0
156.3567657470703	152.0
156.54595947265625	160.0
157.04124450683594	168.0
157.70355224609375	156.0
157.9460906982422	140.0
159.97613525390625	188.0
160.24560546875	184.0
160.72970581054688	188.0
160.86346435546875	144.0
162.06727600097656	156.0
162.08755493164062	140.0
163.05186462402344	196.0
163.4663848876953	156.0
163.59109497070312	172.0
163.9884490966797	176.0
164.93283081054688	188.0
165.04275512695312	152.0
165.06964111328125	1552.0
165.46746826171875	148.0
165.87478637695312	200.0
166.07696533203125	816.0
166.6292724609375	172.0
167.0854949951172	7552.0
168.09005737304688	1452.0
168.75814819335938	148.0
169.09317016601562	316.0
169.28858947753906	152.0
169.31707763671875	168.0
170.3909454345703	148.0
171.85935974121094	176.0
172.73193359375	220.0
175.83233642578125	220.0
176.10162353515625	172.0
176.81546020507812	164.0
176.94252014160156	188.0
177.0643310546875	168.0
178.07894897460938	920.0
178.64096069335938	144.0
178.7367401123047	164.0
178.9310302734375	156.0
179.0845947265625	976.0
179.42364501953125	128.0
180.0938720703125	752.0
181.0992889404297	220.0
181.2386474609375	144.0
182.02725219726562	148.0
182.11587524414062	248.0
183.8173065185547	184.0
183.9308624267578	160.0
187.27932739257812	172.0
188.5097198486328	160.0
188.9335174560547	156.0
189.34136962890625	200.0
190.6444549560547	180.0
190.71591186523438	188.0
191.805908203125	172.0
192.45420837402344	140.0
192.8851776123047	144.0
192.9321746826172	140.0
193.10995483398438	188.0
194.1103057861328	108.0
194.4445343017578	144.0
194.57701110839844	128.0
194.66766357421875	160.0
194.74200439453125	140.0
194.7860565185547	212.0
194.90170288085938	152.0
194.96295166015625	220.0
195.00283813476562	132.0
195.02752685546875	300.0
195.06524658203125	256.0
195.11849975585938	146440.0
195.20071411132812	96.0
195.24853515625	120.0
195.2938690185547	188.0
195.34591674804688	156.0
195.45584106445312	108.0
195.51052856445312	220.0
195.57472229003906	1100.0
195.61032104492188	188.0
195.6829833984375	112.0
195.7109832763672	192.0
196.00064086914062	104.0
196.0284881591797	140.0
196.0748748779297	172.0
196.12106323242188	20756.0
196.17018127441406	176.0
196.24856567382812	152.0
196.47030639648438	112.0
196.91329956054688	136.0
197.02854919433594	112.0
197.12567138671875	1000.0
197.1878204345703	236.0
197.2241668701172	156.0
197.28993225097656	144.0
197.3629150390625	244.0
197.3999481201172	192.0
197.4558868408203	100.0
197.5782470703125	108.0
197.61471557617188	140.0
197.64254760742188	112.0
197.69593811035156	256.0
197.95579528808594	116.0
198.044189453125	100.0
198.3759002685547	136.0
201.1339569091797	152.0
201.19619750976562	168.0
212.4090576171875	160.0
249.96315002441406	204.0
267.0601806640625	584.0
267.1723937988281	164.0
268.057373046875	532.0
268.1133728027344	148.0
268.2274475097656	172.0
269.04473876953125	180.0
269.167724609375	404.0
269.25848388671875	172.0
358.06549072265625	172.0
382.15789794921875	148.0
823.4473876953125	144.0
1104.829833984375	224.0
1128.9010009765625	140.0
1152.758544921875	184.0
1196.1158447265625	188.0
1233.9871826171875	164.0
1245.19189453125	232.0
1267.058837890625	212.0
1267.349365234375	172.0
1270.142578125	168.0
1276.49169921875	176.0
1279.294921875	160.0
1281.1962890625	180.0
1341.44482421875	268.0
1356.4007568359375	180.0
1386.79833984375	176.0
1388.4591064453125	152.0
1393.1649169921875	204.0
1397.0919189453125	176.0
1431.550048828125	192.0
1433.1771240234375	176.0
1441.3411865234375	200.0
1452.9935302734375	140.0
1453.1907958984375	164.0
1455.634765625	168.0
1499.832763671875	176.0
1502.6011962890625	172.0
1506.7161865234375	204.0
1509.173828125	176.0
1510.1094970703125	216.0
1511.5252685546875	144.0
1511.6954345703125	152.0
1522.0205078125	204.0
1527.4683837890625	192.0
1535.873046875	176.0
1539.978515625	148.0
1553.551513671875	188.0
1559.66064453125	248.0
1586.7850341796875	180.0
1593.316650390625	152.0
1595.35107421875	148.0
1601.3895263671875	148.0
1613.88720703125	224.0
1634.380615234375	272.0
1641.8560791015625	140.0
1650.8118896484375	176.0
1652.510498046875	148.0
1664.2222900390625	208.0
1667.934814453125	176.0
1680.4515380859375	188.0
1682.3040771484375	228.0
1686.625244140625	152.0
1696.9317626953125	232.0
1699.761474609375	240.0
1700.1390380859375	148.0
1706.694091796875	152.0
1717.44921875	156.0
1720.8822021484375	176.0
1741.29443359375	220.0
1745.6573486328125	144.0
1759.1796875	156.0
1764.3507080078125	148.0
1767.3365478515625	204.0
1771.5308837890625	168.0
1792.61962890625	164.0
1798.168701171875	144.0
1805.6456298828125	208.0
1821.5208740234375	164.0
1821.6142578125	152.0
1830.8699951171875	140.0
1831.66015625	232.0
1842.9638671875	156.0
1846.3319091796875	184.0
1850.3878173828125	140.0
1854.585205078125	168.0
1872.585205078125	244.0
1887.1514892578125	176.0
1899.743896484375	160.0
1906.2642822265625	164.0
1910.8900146484375	164.0
1928.129150390625	188.0
1932.3350830078125	212.0
1933.91015625	176.0
1935.5035400390625	156.0
1964.72705078125	196.0
1969.299560546875	144.0
1983.4210205078125	144.0
1984.83056640625	144.0
1992.9876708984375	140.0
1995.6719970703125	172.0
1996.80126953125	228.0
2002.052001953125	176.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079268
PEPMASS=671.401794
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=38.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=SAQUINAVIR MESYLATE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4
INCHI=InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
INCHIAUX=QWAXKHKRTORLEM-UGJKXSETSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079268
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079268
SCANS=1287
45.8321418762207	240.0
46.01827621459961	140.0
46.478477478027344	260.0
47.48525619506836	140.0
48.414154052734375	196.0
48.573543548583984	164.0
48.62765884399414	180.0
48.868064880371094	140.0
49.368831634521484	148.0
49.82155990600586	200.0
51.63455581665039	208.0
52.22834777832031	144.0
52.262874603271484	224.0
52.799495697021484	196.0
52.88630676269531	156.0
53.481407165527344	212.0
53.54838180541992	148.0
53.9935188293457	176.0
54.27467727661133	152.0
56.89501953125	160.0
57.1414909362793	188.0
57.444297790527344	144.0
57.82658004760742	204.0
59.98338317871094	144.0
61.661277770996094	184.0
61.80827713012695	172.0
61.96955108642578	140.0
62.030670166015625	160.0
62.39330291748047	180.0
62.45148468017578	148.0
62.91791915893555	212.0
62.94791793823242	208.0
63.142295837402344	140.0
63.565269470214844	184.0
64.77857971191406	160.0
64.89717102050781	148.0
65.15878295898438	140.0
65.75618743896484	232.0
65.88536834716797	156.0
66.79479217529297	176.0
68.07943725585938	140.0
68.7280044555664	160.0
70.38289642333984	200.0
70.62187194824219	164.0
70.99535369873047	160.0
72.20960998535156	208.0
72.56690979003906	152.0
73.27223205566406	164.0
74.8703842163086	160.0
75.64908599853516	152.0
75.75472259521484	156.0
76.3535385131836	232.0
78.19406127929688	152.0
78.63643646240234	200.0
78.97566986083984	180.0
82.3756332397461	208.0
82.77171325683594	140.0
82.8477783203125	160.0
83.75240325927734	188.0
84.24125671386719	144.0
85.5782241821289	216.0
85.60017395019531	152.0
86.29224395751953	164.0
86.33292388916016	172.0
87.18197631835938	152.0
88.650634765625	272.0
91.02373504638672	144.0
91.05797576904297	124.0
93.89044952392578	176.0
94.19540405273438	148.0
97.03673553466797	152.0
98.57398986816406	164.0
98.81521606445312	208.0
99.93421936035156	204.0
100.57191467285156	188.0
101.0490951538086	196.0
102.05435180664062	200.0
103.05333709716797	316.0
103.94091796875	168.0
104.77452087402344	196.0
105.06197357177734	164.0
107.05630493164062	156.0
107.6089096069336	188.0
108.11947631835938	204.0
108.72876739501953	164.0
110.06938934326172	160.0
111.27330780029297	148.0
111.3153076171875	236.0
111.61157989501953	140.0
113.06078338623047	140.0
114.25751495361328	180.0
114.32134246826172	144.0
114.61946868896484	164.0
115.23844146728516	164.0
115.41991424560547	184.0
115.58033752441406	168.0
116.36050415039062	176.0
117.06824493408203	132.0
117.12390899658203	144.0
118.22933959960938	148.0
118.24881744384766	168.0
118.6322021484375	164.0
118.69074249267578	184.0
118.88813781738281	192.0
118.91761779785156	172.0
120.0815200805664	296.0
121.07543182373047	188.0
122.13481140136719	168.0
122.23160552978516	144.0
122.42972564697266	228.0
122.67208862304688	224.0
122.7117691040039	144.0
123.2591552734375	180.0
123.58419036865234	148.0
124.81966400146484	148.0
126.22893524169922	124.0
126.47278594970703	168.0
127.01278686523438	168.0
127.05634307861328	192.0
128.0495147705078	2460.0
128.4843292236328	176.0
129.0701904296875	2576.0
129.1956024169922	152.0
130.0754852294922	348.0
130.1202392578125	152.0
130.97528076171875	188.0
133.19174194335938	216.0
133.58250427246094	144.0
133.75048828125	148.0
134.09095764160156	160.0
136.04595947265625	216.0
136.1155548095703	168.0
137.031982421875	196.0
137.04969787597656	204.0
137.32803344726562	196.0
137.5216827392578	168.0
137.5940399169922	148.0
137.9912109375	160.0
138.12857055664062	3444.0
139.0288848876953	252.0
139.13026428222656	352.0
139.8114471435547	160.0
140.0351104736328	172.0
140.1128387451172	148.0
140.14346313476562	184.0
140.2325897216797	160.0
141.2110595703125	160.0
141.7146759033203	144.0
143.13507080078125	188.0
143.3708953857422	180.0
143.6427001953125	180.0
145.06639099121094	124.0
145.6389923095703	176.0
146.05984497070312	2744.0
146.0961151123047	1816.0
146.4423370361328	152.0
147.0828094482422	816.0
147.13571166992188	124.0
147.9781494140625	144.0
148.0832977294922	260.0
149.2641143798828	196.0
150.12844848632812	3100.0
150.36521911621094	196.0
151.1322784423828	444.0
152.10537719726562	132.0
152.14389038085938	5828.0
152.20620727539062	204.0
152.44683837890625	152.0
153.146728515625	1104.0
154.1150360107422	164.0
154.1459197998047	168.0
154.26431274414062	96.0
154.4042510986328	236.0
155.05987548828125	220.0
156.04388427734375	2620.0
157.00445556640625	192.0
157.04766845703125	420.0
157.46116638183594	248.0
158.48178100585938	144.0
161.47488403320312	148.0
161.83421325683594	240.0
162.09425354003906	212.0
162.2649383544922	200.0
163.5477752685547	164.0
164.10736083984375	2492.0
164.1451416015625	656.0
165.11000061035156	424.0
165.13478088378906	200.0
165.3983154296875	224.0
165.74404907226562	172.0
166.05679321289062	192.0
166.12149047851562	1304.0
166.48538208007812	160.0
167.001953125	144.0
167.12510681152344	152.0
167.15342712402344	196.0
167.952392578125	188.0
169.078857421875	160.0
171.02020263671875	176.0
172.0367889404297	156.0
172.0779266357422	1432.0
172.9883270263672	152.0
173.07150268554688	6772.0
174.05567932128906	2916.0
174.3154296875	156.0
174.90716552734375	140.0
175.05865478515625	204.0
175.09536743164062	100.0
175.1204376220703	148.0
175.86659240722656	148.0
176.059326171875	176.0
177.1411590576172	164.0
177.2682647705078	172.0
177.6129150390625	148.0
178.12603759765625	296.0
180.10964965820312	168.0
181.07754516601562	140.0
181.1356964111328	340.0
181.6997528076172	220.0
182.0594940185547	176.0
182.13194274902344	144.0
183.14352416992188	400.0
184.07235717773438	136.0
184.0926055908203	168.0
184.15472412109375	148.0
184.35464477539062	172.0
185.0714569091797	264.0
185.11207580566406	148.0
185.55914306640625	160.0
186.09080505371094	348.0
186.57994079589844	180.0
189.04017639160156	216.0
189.24273681640625	140.0
190.0869598388672	264.0
190.34498596191406	140.0
191.15313720703125	160.0
191.95472717285156	204.0
194.25303649902344	148.0
195.14784240722656	1136.0
195.24459838867188	180.0
195.27796936035156	144.0
195.62857055664062	180.0
196.1519775390625	152.0
196.4924774169922	196.0
197.07211303710938	180.0
197.14027404785156	188.0
198.0551300048828	176.0
198.0920867919922	768.0
199.05368041992188	188.0
199.08837890625	3132.0
199.36532592773438	160.0
200.07492065429688	628.0
200.8180389404297	156.0
201.02398681640625	156.0
201.07400512695312	132.0
201.0829620361328	236.0
202.15940856933594	140.0
203.1800079345703	212.0
204.04620361328125	144.0
204.23387145996094	148.0
205.14508056640625	148.0
205.6470947265625	164.0
205.86978149414062	164.0
205.9011993408203	152.0
207.37460327148438	164.0
207.87074279785156	184.0
208.1720733642578	140.0
209.06617736816406	220.0
209.1650390625	300.0
209.5499267578125	180.0
209.79200744628906	140.0
210.0690460205078	144.0
210.11788940429688	176.0
210.1668243408203	116.0
211.1741943359375	112.0
211.44996643066406	160.0
214.0889129638672	152.0
214.5813446044922	176.0
215.112548828125	140.0
215.5182342529297	160.0
215.63804626464844	156.0
216.0561981201172	196.0
216.10433959960938	288.0
217.3247833251953	172.0
218.1265106201172	200.0
218.37937927246094	148.0
219.11013793945312	132.0
219.14956665039062	200.0
220.1151580810547	176.0
220.17127990722656	248.0
220.5651397705078	156.0
222.28195190429688	176.0
223.31280517578125	188.0
223.38418579101562	140.0
224.08091735839844	440.0
224.4414520263672	144.0
225.06625366210938	12336.0
226.07290649414062	2068.0
227.0764617919922	384.0
228.07884216308594	276.0
228.97845458984375	180.0
229.06356811523438	364.0
230.61370849609375	156.0
231.6455078125	212.0
232.3154296875	144.0
234.3523712158203	148.0
234.39501953125	140.0
235.22181701660156	124.0
235.5604705810547	168.0
237.20111083984375	148.0
238.03204345703125	164.0
238.29310607910156	160.0
238.34841918945312	140.0
239.2112274169922	952.0
239.24649047851562	180.0
240.2189483642578	164.0
240.24685668945312	96.0
240.5751495361328	140.0
240.91624450683594	204.0
241.45884704589844	144.0
241.93649291992188	180.0
241.96485900878906	152.0
242.0933837890625	30788.0
242.1981201171875	396.0
242.24192810058594	196.0
242.947021484375	168.0
243.0933380126953	4552.0
243.15457153320312	140.0
243.2000732421875	124.0
243.59388732910156	96.0
243.7043914794922	120.0
244.09689331054688	10184.0
244.22540283203125	224.0
244.7289276123047	200.0
244.76019287109375	232.0
244.8990020751953	172.0
245.10057067871094	1448.0
245.2154998779297	172.0
246.1020050048828	192.0
246.40589904785156	140.0
247.00772094726562	200.0
247.74334716796875	180.0
248.18838500976562	144.0
248.5535888671875	176.0
250.2967529296875	144.0
250.33139038085938	144.0
250.52037048339844	172.0
251.08436584472656	124.0
251.12240600585938	140.0
251.21322631835938	3188.0
251.70623779296875	156.0
252.0746307373047	1248.0
252.21400451660156	644.0
252.58798217773438	168.0
252.88856506347656	156.0
252.9107208251953	188.0
253.06846618652344	284.0
253.6219940185547	100.0
254.01268005371094	212.0
254.09710693359375	252.0
254.19285583496094	148.0
255.07518005371094	244.0
255.26473999023438	148.0
255.60191345214844	160.0
256.10809326171875	152.0
257.01666259765625	168.0
257.57684326171875	120.0
258.6465148925781	140.0
259.2742614746094	152.0
259.8065185546875	212.0
260.1335144042969	220.0
260.4898376464844	116.0
261.12432861328125	1556.0
262.12799072265625	936.0
263.05352783203125	164.0
263.1235046386719	144.0
264.7421875	152.0
264.8966979980469	208.0
265.22772216796875	1352.0
265.8128662109375	144.0
266.1513671875	124.0
266.190673828125	6684.0
266.25830078125	180.0
267.09490966796875	116.0
267.19427490234375	1744.0
267.23089599609375	300.0
267.6930847167969	148.0
267.91455078125	160.0
268.1976013183594	316.0
269.0582580566406	104.0
269.1041259765625	1160.0
269.9812927246094	148.0
270.0526123046875	492.0
270.088134765625	18116.0
270.5284423828125	152.0
271.0873718261719	2548.0
271.2959289550781	160.0
272.0885925292969	708.0
272.41162109375	156.0
272.948974609375	124.0
272.9937438964844	124.0
273.0363464355469	120.0
273.1059265136719	148.0
273.41217041015625	144.0
273.5273742675781	232.0
274.0345153808594	220.0
274.6773681640625	156.0
275.1244812011719	248.0
276.6037902832031	164.0
276.8222961425781	144.0
277.0475158691406	176.0
279.9902648925781	108.0
280.10498046875	516.0
280.3201904296875	224.0
280.3835144042969	144.0
281.114501953125	292.0
281.2093505859375	180.0
281.958740234375	148.0
282.19000244140625	324.0
283.1129150390625	196.0
283.2198486328125	384.0
284.2027282714844	768.0
285.14593505859375	188.0
285.20208740234375	176.0
286.1025695800781	148.0
288.09930419921875	1068.0
289.10137939453125	212.0
290.11199951171875	96.0
290.8031005859375	176.0
291.2450256347656	132.0
291.6716003417969	120.0
293.2178649902344	172.0
294.0923767089844	328.0
294.1884460449219	1656.0
295.1875305175781	284.0
295.47216796875	204.0
296.0807800292969	152.0
296.1116027832031	140.0
296.79351806640625	156.0
296.844970703125	216.0
298.4244384765625	156.0
299.1520690917969	152.0
299.21575927734375	296.0
300.1908264160156	160.0
300.216552734375	192.0
300.56683349609375	152.0
300.649658203125	152.0
301.227783203125	3820.0
301.3333435058594	140.0
302.2309875488281	880.0
302.6046447753906	96.0
303.2411804199219	248.0
303.4861145019531	172.0
303.62481689453125	152.0
304.13262939453125	260.0
304.4090881347656	176.0
305.5943908691406	176.0
306.6181335449219	156.0
306.7784729003906	164.0
307.416748046875	152.0
309.1045227050781	156.0
310.2778625488281	152.0
311.1125183105469	188.0
311.21337890625	4300.0
311.64312744140625	140.0
312.0997619628906	476.0
312.21270751953125	772.0
312.5221252441406	212.0
313.1065368652344	332.0
313.2223205566406	160.0
314.1960144042969	108.0
315.1170959472656	160.0
316.1460266113281	176.0
316.4327392578125	176.0
317.0668029785156	156.0
317.4744873046875	156.0
319.1357727050781	180.0
319.3460998535156	168.0
320.1391296386719	168.0
321.6050109863281	164.0
321.83349609375	180.0
322.8697509765625	160.0
323.7465515136719	180.0
327.2054138183594	164.0
328.14825439453125	140.0
328.2143859863281	104.0
328.8841552734375	180.0
329.1188049316406	160.0
329.21746826171875	124.0
331.2742919921875	172.0
333.0589599609375	156.0
333.7094421386719	140.0
334.93218994140625	140.0
336.7010803222656	144.0
337.0079345703125	156.0
338.1012878417969	144.0
338.3245544433594	148.0
338.69805908203125	172.0
339.4383544921875	212.0
340.6715393066406	172.0
342.0799560546875	160.0
342.2272033691406	220.0
344.1384582519531	1100.0
345.1408996582031	304.0
345.38116455078125	156.0
345.6710205078125	176.0
346.1471252441406	144.0
346.2405090332031	152.0
346.5243835449219	124.0
347.14385986328125	180.0
347.2644348144531	188.0
348.2698669433594	156.0
349.2994689941406	176.0
350.0549621582031	176.0
350.62493896484375	160.0
351.3408508300781	188.0
351.9865417480469	164.0
352.1412658691406	148.0
352.2703857421875	188.0
352.546875	140.0
353.7736511230469	148.0
353.9159240722656	144.0
354.12957763671875	132.0
354.84283447265625	164.0
355.1151123046875	196.0
355.1713562011719	184.0
355.2135314941406	132.0
356.12347412109375	156.0
357.538330078125	148.0
358.15643310546875	124.0
359.1473693847656	304.0
360.0755615234375	180.0
360.24554443359375	176.0
362.3665466308594	148.0
362.3981628417969	140.0
362.6482849121094	172.0
363.3801574707031	140.0
363.4564514160156	148.0
363.6343994140625	152.0
365.5857238769531	140.0
365.80853271484375	140.0
366.288330078125	192.0
366.47625732421875	208.0
366.6121826171875	148.0
367.111572265625	148.0
367.2742614746094	20776.0
367.80853271484375	116.0
367.8861083984375	172.0
368.27825927734375	6024.0
369.14111328125	176.0
369.2881774902344	788.0
370.0626220703125	152.0
370.1560363769531	528.0
370.27471923828125	148.0
370.6695251464844	144.0
371.15838623046875	288.0
372.1344909667969	3196.0
372.682373046875	96.0
373.0384521484375	192.0
373.1346130371094	948.0
373.7076110839844	184.0
374.1471252441406	860.0
375.1488037109375	220.0
376.1571044921875	252.0
377.39874267578125	160.0
379.2956848144531	156.0
379.4739990234375	168.0
380.1354064941406	216.0
380.2029724121094	160.0
380.21258544921875	148.0
381.21630859375	1584.0
381.30426025390625	116.0
381.9127197265625	172.0
382.2234802246094	1104.0
383.22320556640625	260.0
383.27362060546875	132.0
383.3843688964844	140.0
383.6626281738281	124.0
383.90673828125	188.0
384.30303955078125	224.0
384.3553466796875	156.0
384.3927001953125	188.0
385.0736389160156	152.0
385.2780456542969	232.0
386.1520080566406	1288.0
386.2811584472656	132.0
386.7744445800781	176.0
386.9606018066406	184.0
387.0876159667969	200.0
387.1534118652344	460.0
387.3795166015625	236.0
388.1659240722656	5976.0
389.1676940917969	1144.0
389.7077941894531	168.0
390.17596435546875	144.0
390.75360107421875	172.0
391.2416076660156	164.0
395.7027587890625	172.0
396.2572326660156	168.0
397.1702880859375	160.0
397.25396728515625	596.0
397.80816650390625	140.0
397.89202880859375	228.0
398.1502380371094	2416.0
398.242919921875	2244.0
398.2934875488281	172.0
399.15264892578125	616.0
399.19842529296875	216.0
399.24761962890625	672.0
400.1485595703125	176.0
400.2463073730469	308.0
400.3046875	140.0
401.0257568359375	148.0
401.19415283203125	168.0
401.7275390625	144.0
402.14251708984375	176.0
402.3126220703125	2884.0
403.1449279785156	172.0
403.3173828125	404.0
404.3264465332031	216.0
404.711181640625	164.0
405.1575012207031	164.0
405.2149963378906	148.0
405.70654296875	148.0
408.1832275390625	120.0
408.5296325683594	144.0
409.0163879394531	168.0
409.2096252441406	220.0
409.78167724609375	152.0
409.9388427734375	144.0
410.220458984375	128.0
410.73370361328125	176.0
411.1849365234375	156.0
411.302001953125	160.0
411.4425048828125	164.0
412.2826843261719	108.0
413.2943420410156	236.0
414.1184997558594	124.0
414.9322509765625	132.0
415.08062744140625	140.0
415.17559814453125	1476.0
415.30718994140625	184.0
415.4618835449219	168.0
415.55517578125	228.0
415.63995361328125	108.0
415.68096923828125	172.0
415.79736328125	124.0
415.8492126464844	96.0
415.955322265625	144.0
416.05706787109375	180.0
416.16143798828125	68304.0
416.30535888671875	160.0
416.3896179199219	136.0
416.4324951171875	172.0
416.52276611328125	152.0
416.62554931640625	152.0
416.96942138671875	188.0
417.16314697265625	19656.0
417.32196044921875	228.0
417.38421630859375	116.0
417.674072265625	156.0
418.1658935546875	2868.0
418.2364196777344	116.0
418.80072021484375	104.0
419.16522216796875	336.0
419.4332580566406	140.0
419.540771484375	180.0
419.5946960449219	104.0
419.6806335449219	132.0
419.8329772949219	144.0
419.89361572265625	148.0
419.97021484375	216.0
420.0065612792969	140.0
420.071044921875	120.0
420.1818542480469	120.0
420.21881103515625	108.0
424.1148986816406	152.0
425.08563232421875	144.0
425.3125915527344	144.0
426.2419738769531	368.0
427.2333068847656	160.0
427.61029052734375	116.0
429.3074645996094	140.0
429.6085510253906	140.0
430.0748291015625	144.0
430.3018798828125	148.0
430.3472900390625	116.0
430.6806945800781	104.0
431.000732421875	120.0
431.0393981933594	100.0
431.5850830078125	104.0
431.754638671875	96.0
432.3524475097656	328.0
432.43487548828125	144.0
432.5919494628906	156.0
432.7974548339844	140.0
432.86676025390625	160.0
433.0553283691406	120.0
433.10723876953125	460.0
433.1876220703125	75208.0
433.5354919433594	168.0
433.7372131347656	100.0
433.8716735839844	120.0
433.9440612792969	184.0
433.98614501953125	116.0
434.09722900390625	120.0
434.1898498535156	21320.0
434.3673400878906	120.0
434.4978332519531	140.0
434.7225036621094	152.0
435.1934509277344	2980.0
435.7505187988281	96.0
435.8478698730469	156.0
436.12750244140625	148.0
436.19927978515625	292.0
436.4629821777344	196.0
436.6005554199219	184.0
436.6645202636719	120.0
436.8188171386719	120.0
436.9757995605469	148.0
437.1329345703125	120.0
437.3716735839844	140.0
437.5765380859375	100.0
437.6932678222656	100.0
438.2944030761719	164.0
438.40277099609375	184.0
439.6507263183594	148.0
440.2633361816406	156.0
441.2539978027344	492.0
442.2502746582031	232.0
442.66864013671875	128.0
443.2417297363281	140.0
443.2752380371094	168.0
443.65716552734375	128.0
444.0571594238281	116.0
444.47869873046875	180.0
446.1819763183594	108.0
446.6632995605469	148.0
447.9639892578125	148.0
450.0811462402344	172.0
450.1247863769531	144.0
451.10223388671875	188.0
453.8977966308594	188.0
454.91180419921875	140.0
455.11407470703125	124.0
455.54827880859375	144.0
455.7016906738281	148.0
457.26141357421875	156.0
458.156494140625	148.0
458.2063903808594	152.0
459.26904296875	140.0
459.4140930175781	148.0
460.5367126464844	144.0
460.60076904296875	180.0
460.90411376953125	140.0
461.6264953613281	188.0
462.6337585449219	132.0
462.6833190917969	144.0
463.61279296875	160.0
464.4849548339844	160.0
465.1310729980469	180.0
466.0243225097656	148.0
466.88983154296875	160.0
469.10345458984375	176.0
470.930908203125	160.0
471.3758850097656	144.0
472.1194152832031	188.0
472.1748352050781	156.0
472.5086975097656	144.0
473.6688537597656	152.0
473.9374694824219	144.0
474.370849609375	156.0
474.74371337890625	156.0
475.0594177246094	116.0
475.5679931640625	172.0
476.0064697265625	172.0
476.0657653808594	116.0
476.2149353027344	180.0
476.6841125488281	148.0
478.06695556640625	168.0
478.9159240722656	148.0
479.7525329589844	196.0
480.03594970703125	156.0
482.2974853515625	416.0
482.74334716796875	172.0
483.3056945800781	252.0
484.1400146484375	100.0
487.0645751953125	196.0
487.3546142578125	156.0
487.6051025390625	216.0
487.6929931640625	144.0
489.2193603515625	180.0
489.8731689453125	196.0
490.2588195800781	184.0
491.9789733886719	168.0
492.31646728515625	136.0
494.0294494628906	144.0
494.28607177734375	144.0
494.95001220703125	180.0
495.28216552734375	164.0
495.9423522949219	228.0
497.11761474609375	140.0
497.89892578125	236.0
498.3342590332031	148.0
499.3321228027344	396.0
499.4989929199219	164.0
499.5952453613281	140.0
500.41839599609375	132.0
500.79425048828125	164.0
501.31103515625	156.0
501.58734130859375	204.0
502.3097229003906	144.0
504.6587829589844	140.0
504.7330627441406	136.0
506.224853515625	336.0
507.0401916503906	144.0
507.1343078613281	224.0
508.012939453125	188.0
508.2707824707031	152.0
508.65093994140625	152.0
510.9286804199219	180.0
513.39697265625	228.0
513.5503540039062	140.0
513.8931884765625	180.0
514.5611572265625	244.0
516.1560668945312	140.0
517.0789184570312	220.0
517.2011108398438	196.0
517.5723266601562	160.0
519.3261108398438	188.0
520.4833374023438	172.0
520.6195678710938	164.0
521.00341796875	132.0
521.0843505859375	204.0
521.31005859375	152.0
522.4967651367188	156.0
522.9791259765625	180.0
524.9973754882812	156.0
525.2710571289062	168.0
525.3075561523438	160.0
525.6885986328125	192.0
526.2990112304688	116.0
527.1766967773438	140.0
527.2708740234375	128.0
529.2928466796875	192.0
531.3920288085938	152.0
531.7132568359375	228.0
531.837158203125	148.0
532.5350341796875	140.0
533.026611328125	156.0
535.9668579101562	192.0
536.275146484375	148.0
536.3632202148438	144.0
537.4700317382812	200.0
538.716552734375	160.0
539.2572021484375	160.0
539.6870727539062	192.0
539.859619140625	104.0
539.9321899414062	176.0
540.0616455078125	160.0
540.10791015625	144.0
540.1819458007812	200.0
541.3704223632812	112.0
541.6378173828125	116.0
542.0189208984375	112.0
542.32958984375	240.0
542.5631713867188	136.0
543.3134765625	196.0
544.3485107421875	152.0
546.5125732421875	132.0
547.7511596679688	116.0
547.9159545898438	148.0
548.0337524414062	140.0
548.1815185546875	152.0
548.3259887695312	168.0
548.708251953125	140.0
548.8201293945312	144.0
548.8615112304688	124.0
549.07275390625	140.0
549.9116821289062	144.0
550.3807373046875	120.0
550.5308837890625	96.0
550.9783935546875	204.0
551.2662353515625	220.0
551.6536865234375	124.0
552.2965087890625	2476.0
553.0796508789062	128.0
553.1434936523438	148.0
553.2054443359375	104.0
553.281494140625	6748.0
553.3653564453125	228.0
553.4131469726562	96.0
553.8473510742188	140.0
554.1951904296875	172.0
554.2881469726562	1996.0
554.6029052734375	148.0
555.175537109375	140.0
555.2920532226562	576.0
555.6298828125	144.0
556.2933959960938	132.0
556.8033447265625	184.0
557.272705078125	96.0
557.82763671875	168.0
557.9075317382812	144.0
558.2835083007812	124.0
558.6881713867188	152.0
561.4085083007812	136.0
562.2786254882812	156.0
562.8287963867188	104.0
563.0576171875	180.0
563.2589111328125	128.0
563.5299682617188	172.0
563.691162109375	104.0
563.7562255859375	120.0
563.9376220703125	108.0
563.9954833984375	96.0
564.1491088867188	156.0
564.2464599609375	252.0
565.9260864257812	112.0
566.0431518554688	168.0
566.0994262695312	164.0
566.4004516601562	104.0
566.5442504882812	124.0
566.6071166992188	100.0
566.71875	136.0
566.7634887695312	116.0
566.861083984375	204.0
566.958740234375	104.0
567.1217041015625	160.0
567.464111328125	104.0
567.5193481445312	128.0
567.7374267578125	96.0
567.8486328125	124.0
567.9498901367188	128.0
568.0463256835938	164.0
568.1029052734375	224.0
568.1402587890625	168.0
568.203857421875	180.0
568.2864379882812	440.0
568.3711547851562	300.0
568.4259033203125	184.0
568.4951171875	168.0
568.538818359375	180.0
568.5724487304688	232.0
568.606689453125	168.0
568.721923828125	164.0
568.8909912109375	104.0
568.9415283203125	124.0
568.9823608398438	120.0
569.0541381835938	216.0
569.1621704101562	132.0
569.28125	464.0
569.3497924804688	148.0
569.40185546875	156.0
569.485595703125	200.0
569.5795288085938	152.0
569.6228637695312	164.0
569.6949462890625	152.0
569.7451171875	216.0
569.8051147460938	296.0
569.8416748046875	172.0
569.905517578125	116.0
569.9486083984375	232.0
570.026123046875	296.0
570.1051025390625	288.0
570.17626953125	504.0
570.309326171875	212156.0
570.4415283203125	348.0
570.486572265625	188.0
570.5465698242188	156.0
570.6063842773438	184.0
570.6443481445312	176.0
570.751708984375	340.0
570.8280029296875	176.0
570.8737182617188	220.0
570.9306030273438	364.0
570.9923095703125	180.0
571.0326538085938	188.0
571.0938720703125	856.0
571.179931640625	436.0
571.31103515625	108456.0
571.439697265625	504.0
571.50830078125	232.0
571.585693359375	232.0
571.6354370117188	180.0
571.7007446289062	228.0
571.7542724609375	244.0
571.8040161132812	124.0
571.9278564453125	196.0
572.047607421875	280.0
572.1663818359375	160.0
572.2252807617188	132.0
572.3139038085938	14440.0
572.4254760742188	232.0
572.4664306640625	124.0
572.5225219726562	160.0
572.767578125	340.0
572.8067626953125	152.0
572.9089965820312	164.0
572.97900390625	304.0
573.3154296875	3180.0
573.3795776367188	248.0
573.4356689453125	112.0
573.564453125	220.0
573.60986328125	180.0
573.7329711914062	124.0
573.8289184570312	164.0
573.962890625	164.0
574.0321044921875	216.0
574.0794677734375	260.0
574.1346435546875	248.0
574.2418823242188	300.0
574.3226928710938	532.0
574.3944091796875	100.0
574.4407958984375	240.0
574.4949951171875	408.0
574.6748046875	276.0
574.7442016601562	192.0
574.7839965820312	136.0
574.8323364257812	100.0
574.8975830078125	160.0
574.9607543945312	112.0
575.0115966796875	176.0
575.0587158203125	220.0
575.127685546875	240.0
575.1805419921875	236.0
575.4022827148438	104.0
575.55029296875	132.0
575.8172607421875	140.0
575.8516845703125	124.0
575.9093627929688	108.0
575.9967651367188	112.0
576.2322387695312	148.0
576.2709350585938	164.0
576.4579467773438	160.0
576.6192626953125	96.0
576.6527099609375	144.0
577.8792724609375	316.0
578.123291015625	180.0
578.5997924804688	108.0
579.1900024414062	104.0
580.16845703125	140.0
580.2928466796875	1172.0
581.2745971679688	468.0
581.4011840820312	164.0
581.501953125	144.0
581.725830078125	136.0
582.130859375	148.0
582.2672729492188	292.0
582.3475952148438	132.0
583.2593994140625	252.0
583.4617919921875	144.0
583.625244140625	212.0
583.7213745117188	156.0
584.2748413085938	120.0
585.0699462890625	100.0
585.1314086914062	152.0
585.8726196289062	96.0
586.695068359375	116.0
587.6710815429688	176.0
588.2398071289062	104.0
588.4308471679688	116.0
589.5300903320312	252.0
591.0256958007812	152.0
591.8761596679688	192.0
593.8359375	116.0
593.9524536132812	204.0
594.2220458984375	184.0
594.2559814453125	192.0
595.0616455078125	144.0
595.2645263671875	172.0
595.3842163085938	140.0
595.5838012695312	192.0
595.8873291015625	160.0
596.2988891601562	116.0
596.7621459960938	156.0
596.8228759765625	124.0
596.8846435546875	144.0
597.2947387695312	172.0
597.4089965820312	144.0
598.3118896484375	224.0
598.597412109375	136.0
599.3436279296875	172.0
599.4287719726562	104.0
599.7365112304688	164.0
600.7214965820312	144.0
603.5150146484375	108.0
603.5504760742188	192.0
604.3922119140625	128.0
605.3665161132812	136.0
605.7858276367188	148.0
607.0159912109375	148.0
607.4815673828125	108.0
607.6781616210938	184.0
608.2817993164062	144.0
608.9937744140625	200.0
609.1967163085938	112.0
609.3440551757812	180.0
612.3086547851562	148.0
614.827880859375	152.0
615.3289794921875	392.0
615.637451171875	140.0
615.9091186523438	164.0
616.3224487304688	268.0
616.8822021484375	160.0
617.3048095703125	108.0
617.4956665039062	168.0
617.6787109375	156.0
619.2423706054688	108.0
620.5757446289062	168.0
621.54296875	140.0
621.6571044921875	164.0
621.954833984375	176.0
622.3768310546875	160.0
623.8275146484375	260.0
624.32470703125	172.0
624.873046875	268.0
625.42919921875	144.0
626.3453979492188	148.0
626.4898681640625	212.0
626.775634765625	228.0
627.3619384765625	160.0
627.5962524414062	144.0
627.9568481445312	116.0
628.1947021484375	200.0
629.7920532226562	148.0
630.4564819335938	188.0
630.6633911132812	100.0
630.8563232421875	180.0
630.9913330078125	160.0
632.146728515625	164.0
632.6768188476562	136.0
633.4183959960938	184.0
634.7565307617188	188.0
635.9354858398438	172.0
636.5762329101562	176.0
636.8078002929688	148.0
637.0477294921875	172.0
637.9269409179688	96.0
638.0069580078125	112.0
638.4011840820312	156.0
639.1551513671875	128.0
639.3932495117188	144.0
640.5009155273438	276.0
641.2919921875	252.0
641.9019775390625	148.0
642.0581665039062	152.0
642.6383666992188	156.0
643.103515625	116.0
643.7589721679688	164.0
644.7553100585938	120.0
646.0252685546875	136.0
646.1649169921875	144.0
646.60009765625	140.0
647.2784423828125	144.0
647.7705078125	144.0
648.4644165039062	140.0
648.6047973632812	128.0
650.8135986328125	116.0
651.036376953125	100.0
651.1273803710938	148.0
651.2235717773438	120.0
652.1740112304688	148.0
652.9926147460938	148.0
653.1248168945312	216.0
653.2841796875	140.0
653.3802490234375	656.0
653.4808959960938	148.0
653.5317993164062	156.0
654.3713989257812	680.0
655.3677368164062	912.0
655.609375	160.0
655.930419921875	140.0
656.1649169921875	156.0
656.2166748046875	108.0
656.3499145507812	296.0
656.3934936523438	208.0
656.4864501953125	136.0
657.0523681640625	160.0
657.1430053710938	104.0
657.6817016601562	104.0
658.5888671875	140.0
658.8577270507812	100.0
658.9055786132812	148.0
659.3583374023438	112.0
659.4459228515625	144.0
659.922607421875	140.0
659.998779296875	116.0
660.834228515625	220.0
660.8995361328125	208.0
661.3088989257812	228.0
662.4386596679688	156.0
662.8377685546875	200.0
663.0297241210938	172.0
663.2838134765625	148.0
663.3389892578125	156.0
663.60986328125	96.0
663.6880493164062	112.0
663.8705444335938	120.0
663.9580688476562	140.0
664.29638671875	108.0
664.4755249023438	140.0
664.795654296875	184.0
664.915283203125	152.0
664.9580688476562	196.0
665.0964965820312	140.0
665.2676391601562	152.0
665.3029174804688	176.0
665.3513793945312	100.0
665.4608764648438	144.0
665.6992797851562	148.0
665.8359985351562	132.0
665.993408203125	136.0
666.0961303710938	160.0
666.3804931640625	156.0
666.5545654296875	180.0
666.651123046875	108.0
666.6939086914062	320.0
666.8583984375	156.0
666.92919921875	252.0
667.021484375	120.0
667.1502075195312	216.0
667.32666015625	244.0
667.379150390625	164.0
667.5013427734375	172.0
667.6195068359375	256.0
667.8113403320312	184.0
667.9143676757812	188.0
667.9595947265625	264.0
668.0170288085938	144.0
668.1119384765625	300.0
668.17626953125	180.0
668.4459228515625	228.0
668.5942993164062	312.0
668.6453247070312	176.0
668.7154541015625	288.0
668.8251953125	120.0
668.8566284179688	276.0
668.91357421875	148.0
668.9845581054688	224.0
669.077392578125	228.0
669.1231689453125	356.0
669.2154541015625	184.0
669.2553100585938	200.0
669.32275390625	332.0
669.3709716796875	396.0
669.4069213867188	420.0
669.4682006835938	164.0
669.5811767578125	180.0
669.6553955078125	288.0
669.722412109375	316.0
669.805908203125	292.0
669.899658203125	168.0
669.9612426757812	312.0
670.0017700195312	428.0
670.0139770507812	184.0
670.0896606445312	276.0
670.1435546875	216.0
670.1959838867188	416.0
670.2363891601562	512.0
670.3369750976562	536.0
670.3746948242188	608.0
670.4886474609375	224.0
670.5320434570312	288.0
670.6131591796875	248.0
670.7120971679688	380.0
670.7930908203125	356.0
670.8641967773438	408.0
670.9520874023438	300.0
671.0118408203125	696.0
671.0743408203125	500.0
671.1231689453125	244.0
671.1356811523438	432.0
671.26953125	1152.0
671.3195190429688	1332.0
671.3941650390625	251848.0
671.5858154296875	440.0
671.7359008789062	468.0
671.782958984375	180.0
671.8905639648438	996.0
671.9451904296875	620.0
671.9564819335938	480.0
671.9984130859375	880.0
672.0828857421875	336.0
672.1564331054688	432.0
672.2528076171875	7960.0
672.3118286132812	1352.0
672.396484375	218580.0
672.5551147460938	172.0
672.5950317382812	104.0
672.6588134765625	580.0
672.74169921875	244.0
672.779296875	332.0
672.8751220703125	428.0
672.964111328125	296.0
673.0079956054688	436.0
673.0796508789062	312.0
673.1429443359375	364.0
673.2523193359375	888.0
673.3978881835938	60944.0
673.50146484375	632.0
673.5870971679688	156.0
673.6207885742188	232.0
673.676025390625	196.0
673.7152709960938	164.0
673.7977905273438	232.0
673.8475341796875	324.0
673.9243774414062	316.0
673.992431640625	296.0
674.0420532226562	260.0
674.1337280273438	324.0
674.1779174804688	176.0
674.2855834960938	300.0
674.4002075195312	8208.0
674.5825805664062	132.0
674.6614990234375	104.0
674.751953125	204.0
674.7960205078125	172.0
674.9016723632812	332.0
675.0715942382812	212.0
675.1311645507812	256.0
675.1927490234375	408.0
675.3109741210938	180.0
675.4049682617188	760.0
675.5353393554688	224.0
675.6273803710938	428.0
675.6830444335938	256.0
675.729248046875	388.0
675.805419921875	424.0
675.8722534179688	276.0
675.8995361328125	372.0
675.9716186523438	740.0
676.0914306640625	552.0
676.1647338867188	288.0
676.2406616210938	560.0
676.2907104492188	372.0
676.3897094726562	216.0
676.5272216796875	192.0
676.5809326171875	188.0
676.7828979492188	204.0
676.8250732421875	236.0
676.896728515625	168.0
677.0350952148438	124.0
677.0914306640625	156.0
677.1666870117188	300.0
677.2430419921875	120.0
677.3414916992188	216.0
677.4196166992188	196.0
677.470458984375	252.0
677.5421142578125	236.0
677.5975952148438	256.0
677.6600341796875	280.0
677.7413330078125	120.0
678.0264282226562	188.0
678.077392578125	176.0
678.3015747070312	124.0
678.6923828125	124.0
678.7360229492188	164.0
678.8235473632812	96.0
678.9496459960938	184.0
679.0086059570312	200.0
679.2948608398438	120.0
679.5048828125	172.0
679.5547485351562	136.0
680.61572265625	116.0
681.3201293945312	96.0
682.63134765625	140.0
683.8484497070312	100.0
683.9041137695312	100.0
686.7962036132812	220.0
688.6907958984375	180.0
689.8296508789062	156.0
689.9020385742188	128.0
690.21923828125	120.0
690.8408813476562	148.0
691.3536376953125	196.0
691.5640258789062	104.0
691.9584350585938	96.0
692.25927734375	148.0
692.3150634765625	124.0
692.7820434570312	104.0
693.1160888671875	112.0
693.2808227539062	132.0
693.3693237304688	108.0
693.8857421875	132.0
695.354736328125	104.0
695.53076171875	144.0
696.5551147460938	100.0
697.4415893554688	96.0
697.5565795898438	108.0
697.91259765625	96.0
702.3552856445312	148.0
710.2218017578125	196.0
743.4007568359375	108.0
786.0783081054688	144.0
793.551025390625	156.0
799.0125732421875	96.0
801.9156494140625	140.0
802.46240234375	140.0
819.1380615234375	148.0
827.7991943359375	192.0
828.1027221679688	140.0
860.9449462890625	112.0
871.3154296875	140.0
879.9774169921875	96.0
895.3189086914062	140.0
906.8375244140625	156.0
927.2631225585938	144.0
933.8656005859375	108.0
964.8299560546875	140.0
1006.1519165039062	156.0
1041.263671875	204.0
1047.0067138671875	228.0
1054.655029296875	164.0
1054.9365234375	180.0
1064.9085693359375	144.0
1071.582763671875	224.0
1079.4910888671875	160.0
1090.34619140625	132.0
1097.037109375	192.0
1102.8431396484375	96.0
1119.10888671875	112.0
1136.19482421875	160.0
1147.2274169921875	112.0
1172.410888671875	232.0
1204.026611328125	116.0
1219.4666748046875	148.0
1242.3106689453125	164.0
1243.34521484375	148.0
1316.666259765625	204.0
1326.433837890625	156.0
1387.8358154296875	176.0
1415.0157470703125	176.0
1427.8095703125	192.0
1452.007080078125	164.0
1475.238037109375	144.0
1480.41015625	164.0
1520.9022216796875	152.0
1525.298583984375	144.0
1530.5577392578125	152.0
1541.4625244140625	148.0
1550.697021484375	188.0
1569.1776123046875	168.0
1579.593994140625	208.0
1593.4830322265625	152.0
1619.9532470703125	204.0
1634.130859375	156.0
1727.650390625	160.0
1751.4244384765625	188.0
1759.3099365234375	116.0
1760.398193359375	144.0
1768.2984619140625	156.0
1815.5283203125	204.0
1817.411376953125	156.0
1823.168701171875	204.0
1825.821044921875	172.0
1837.3712158203125	164.0
1844.6727294921875	216.0
1845.5960693359375	156.0
1849.4627685546875	244.0
1861.7965087890625	104.0
1866.3505859375	152.0
1875.1522216796875	184.0
1880.965576171875	140.0
1915.08056640625	96.0
1919.0416259765625	176.0
1919.3118896484375	160.0
1920.899169921875	180.0
1922.975830078125	148.0
1935.6080322265625	140.0
1938.5426025390625	152.0
1944.795654296875	188.0
1953.758544921875	164.0
1959.0052490234375	200.0
1960.1241455078125	228.0
1968.797607421875	128.0
2001.57958984375	188.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079269
PEPMASS=336.205261
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=23.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=SAQUINAVIR MESYLATE [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4
INCHI=InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
INCHIAUX=QWAXKHKRTORLEM-UGJKXSETSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079269
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079269
SCANS=1288
46.36185836791992	232.0
46.50019073486328	140.0
46.90824508666992	172.0
47.01326370239258	172.0
47.51955032348633	216.0
48.33110046386719	152.0
49.188594818115234	156.0
49.95511245727539	164.0
50.05503845214844	188.0
51.4802131652832	200.0
52.50920867919922	208.0
52.884857177734375	184.0
53.30107498168945	184.0
53.420291900634766	164.0
53.63434600830078	152.0
53.80940246582031	144.0
55.77315902709961	144.0
55.82073211669922	152.0
55.841552734375	176.0
55.869815826416016	188.0
56.25876998901367	188.0
57.29053497314453	148.0
57.48201370239258	144.0
57.669281005859375	164.0
57.9886360168457	156.0
58.03108215332031	148.0
58.09945297241211	148.0
58.12664031982422	176.0
58.2845573425293	152.0
58.44116973876953	168.0
59.63090896606445	212.0
59.85858917236328	148.0
60.65269470214844	160.0
61.10148239135742	180.0
61.42863082885742	200.0
62.2471809387207	156.0
62.83742904663086	216.0
62.867408752441406	260.0
62.925811767578125	148.0
63.000038146972656	268.0
63.19932174682617	160.0
63.930763244628906	176.0
64.6056900024414	204.0
64.66168975830078	144.0
64.88113403320312	180.0
65.73197937011719	144.0
66.85010528564453	160.0
67.2183837890625	212.0
67.24449157714844	148.0
67.40616607666016	212.0
67.9448471069336	164.0
68.64057922363281	144.0
69.2205810546875	208.0
69.30008697509766	220.0
69.76342010498047	156.0
71.11446380615234	156.0
71.13796997070312	140.0
72.8945083618164	220.0
73.50923156738281	196.0
74.46450805664062	164.0
74.4885482788086	184.0
74.57962036132812	176.0
75.6837158203125	152.0
75.73393249511719	180.0
76.25444030761719	212.0
76.35527801513672	140.0
76.85697937011719	140.0
76.97916412353516	188.0
77.93204498291016	184.0
78.05508422851562	140.0
78.19406127929688	196.0
78.33844757080078	144.0
79.2854995727539	192.0
79.882080078125	204.0
79.9924087524414	144.0
80.7972412109375	144.0
80.90461730957031	260.0
82.0508041381836	188.0
82.78549194335938	196.0
83.25770568847656	160.0
84.04408264160156	192.0
84.67475128173828	204.0
85.0689697265625	228.0
85.15894317626953	236.0
85.25631713867188	216.0
85.62793731689453	160.0
85.98007202148438	280.0
87.07979583740234	140.0
87.95303344726562	176.0
88.04077911376953	164.0
88.15473937988281	188.0
89.39991760253906	244.0
90.07677459716797	164.0
90.49282836914062	148.0
91.03070831298828	196.0
91.04828643798828	172.0
91.06184387207031	268.0
91.16429901123047	144.0
92.07109832763672	148.0
93.08797454833984	196.0
95.44155883789062	164.0
95.8288803100586	140.0
96.33221435546875	152.0
96.85840606689453	172.0
97.03900146484375	256.0
97.14263916015625	168.0
98.02146911621094	164.0
98.89041137695312	164.0
99.20535278320312	160.0
99.36202239990234	172.0
100.0396957397461	204.0
100.3144760131836	128.0
100.36444091796875	184.0
100.53997802734375	180.0
101.0406723022461	296.0
101.07752990722656	164.0
101.69677734375	148.0
101.74093627929688	180.0
101.91165161132812	152.0
101.96992492675781	156.0
102.09255981445312	148.0
102.3783187866211	228.0
102.52739715576172	140.0
102.6362533569336	200.0
103.0904312133789	196.0
103.13287353515625	192.0
103.4889144897461	228.0
103.80500793457031	164.0
104.07894134521484	168.0
104.27395629882812	228.0
106.11111450195312	152.0
106.66744995117188	208.0
108.08015441894531	208.0
108.22090148925781	180.0
108.44877624511719	168.0
109.30647277832031	224.0
109.85650634765625	164.0
110.02581024169922	216.0
111.14318084716797	212.0
111.4392318725586	156.0
112.63793182373047	144.0
113.03539276123047	168.0
113.17086029052734	188.0
113.5501708984375	156.0
115.22754669189453	148.0
115.56963348388672	188.0
116.2016830444336	240.0
116.56884765625	152.0
116.65482330322266	156.0
116.94950866699219	240.0
117.0732421875	148.0
117.8206787109375	144.0
117.88509368896484	236.0
118.12115478515625	192.0
118.1795654296875	180.0
119.06181335449219	152.0
119.09221649169922	212.0
120.08185577392578	1140.0
120.24178314208984	148.0
120.90523529052734	132.0
121.08294677734375	144.0
121.25	188.0
121.80949401855469	156.0
122.09813690185547	184.0
122.30203247070312	164.0
122.37027740478516	180.0
122.77792358398438	168.0
123.32545471191406	168.0
123.3431396484375	224.0
123.45368194580078	144.0
124.60406494140625	140.0
124.8352279663086	216.0
125.051025390625	172.0
125.33830261230469	160.0
125.39401245117188	164.0
125.6549072265625	168.0
126.32063293457031	204.0
127.05210876464844	176.0
127.9075927734375	108.0
127.9273452758789	160.0
127.97012329101562	224.0
128.05032348632812	41740.0
128.201904296875	124.0
128.2430877685547	116.0
128.5182647705078	160.0
128.57313537597656	116.0
128.58724975585938	256.0
128.978515625	144.0
129.05357360839844	2820.0
129.98997497558594	164.0
130.05885314941406	536.0
130.58607482910156	160.0
131.08213806152344	124.0
131.29208374023438	160.0
131.47052001953125	228.0
132.0697479248047	124.0
132.2745361328125	156.0
132.3455047607422	140.0
132.57456970214844	144.0
133.2560577392578	148.0
133.59400939941406	148.0
133.97384643554688	140.0
134.10289001464844	140.0
134.26889038085938	172.0
135.00933837890625	96.0
135.40130615234375	188.0
135.99716186523438	152.0
136.7455596923828	140.0
137.11834716796875	272.0
137.70846557617188	232.0
138.12759399414062	4952.0
139.13243103027344	664.0
139.96560668945312	148.0
140.0351104736328	316.0
140.14817810058594	216.0
140.73548889160156	184.0
142.13909912109375	172.0
142.39549255371094	188.0
142.51901245117188	152.0
142.60122680664062	208.0
143.1112518310547	172.0
143.84075927734375	148.0
144.6318817138672	140.0
145.0618133544922	148.0
145.09532165527344	192.0
145.6527557373047	132.0
145.94900512695312	208.0
145.99949645996094	148.0
146.0612030029297	14656.0
146.09556579589844	1132.0
146.16067504882812	168.0
146.20040893554688	124.0
146.23768615722656	164.0
146.9509735107422	176.0
147.06298828125	2700.0
147.27203369140625	164.0
147.84017944335938	152.0
149.51467895507812	156.0
150.1279754638672	5264.0
150.23590087890625	176.0
150.9368438720703	140.0
151.13160705566406	808.0
151.56837463378906	156.0
151.93858337402344	148.0
152.11451721191406	208.0
152.1448974609375	11996.0
152.1906280517578	128.0
152.58798217773438	172.0
152.72711181640625	224.0
153.14498901367188	1168.0
153.48562622070312	272.0
153.51028442382812	208.0
153.63853454589844	176.0
154.05079650878906	140.0
154.12142944335938	340.0
154.1422119140625	164.0
154.56504821777344	172.0
154.5996856689453	144.0
154.62796020507812	188.0
155.06057739257812	4032.0
155.12973022460938	216.0
155.14707946777344	156.0
155.5936279296875	216.0
156.01202392578125	296.0
156.04457092285156	13736.0
156.10546875	212.0
156.95362854003906	104.0
156.9877166748047	100.0
157.04745483398438	2004.0
158.0478057861328	360.0
158.0904083251953	148.0
158.12368774414062	208.0
158.21881103515625	148.0
158.76754760742188	164.0
159.18663024902344	196.0
159.2544403076172	196.0
159.6615753173828	140.0
159.77224731445312	216.0
160.60604858398438	144.0
160.8179931640625	180.0
162.08859252929688	140.0
162.1356658935547	180.0
162.8851776123047	188.0
163.85589599609375	268.0
164.04092407226562	152.0
164.10968017578125	480.0
164.14511108398438	1316.0
164.48068237304688	208.0
165.1115264892578	136.0
165.14479064941406	296.0
166.0494842529297	108.0
166.12181091308594	572.0
167.0714111328125	192.0
167.1295166015625	288.0
168.7193145751953	152.0
168.86154174804688	192.0
169.07452392578125	240.0
169.1916961669922	188.0
170.46365356445312	160.0
170.9613037109375	140.0
171.0436248779297	144.0
171.14515686035156	180.0
171.22848510742188	180.0
171.6610870361328	148.0
172.07568359375	300.0
172.1110382080078	112.0
172.50177001953125	152.0
172.97262573242188	172.0
173.0328369140625	180.0
173.07122802734375	23092.0
173.7644805908203	164.0
173.8686065673828	108.0
174.05641174316406	11460.0
174.1310272216797	268.0
174.21189880371094	148.0
174.8229522705078	140.0
174.96771240234375	140.0
175.0577850341797	1612.0
175.0796661376953	464.0
175.1333770751953	228.0
175.2610626220703	148.0
175.48672485351562	140.0
176.07095336914062	160.0
176.1200714111328	196.0
176.14674377441406	172.0
176.23895263671875	148.0
177.01661682128906	160.0
177.13807678222656	328.0
178.1198272705078	140.0
178.167724609375	200.0
179.16001892089844	140.0
180.09896850585938	164.0
180.1377410888672	1180.0
181.06983947753906	184.0
181.1030731201172	128.0
181.14622497558594	340.0
182.10621643066406	392.0
182.60687255859375	180.0
183.1048583984375	212.0
183.1495361328125	336.0
183.20159912109375	104.0
184.0655059814453	120.0
184.11151123046875	320.0
185.07029724121094	224.0
185.5800323486328	152.0
186.11807250976562	144.0
186.59617614746094	136.0
187.0178985595703	204.0
187.0723419189453	164.0
187.12405395507812	144.0
189.10182189941406	432.0
189.1304931640625	164.0
190.12234497070312	184.0
190.15008544921875	140.0
190.9193115234375	168.0
190.9578094482422	144.0
191.11148071289062	488.0
191.16139221191406	204.0
191.6138916015625	340.0
192.10227966308594	892.0
192.1478729248047	140.0
193.11053466796875	168.0
194.10552978515625	152.0
194.15493774414062	856.0
195.14939880371094	632.0
195.81166076660156	164.0
195.93768310546875	196.0
196.1912841796875	172.0
197.0705108642578	132.0
197.1267852783203	136.0
198.07752990722656	232.0
198.6970672607422	168.0
199.05532836914062	156.0
199.0845489501953	1528.0
200.0319061279297	172.0
200.0754852294922	644.0
200.11355590820312	172.0
201.0721893310547	304.0
201.10289001464844	160.0
201.18768310546875	156.0
201.34298706054688	188.0
202.08949279785156	132.0
202.120361328125	220.0
202.16847229003906	148.0
202.4543914794922	192.0
203.0892333984375	148.0
203.16014099121094	144.0
203.93533325195312	148.0
204.10543823242188	144.0
205.1308135986328	140.0
206.7073516845703	160.0
208.0860137939453	276.0
208.17501831054688	148.0
208.58445739746094	192.0
208.79576110839844	208.0
209.163818359375	288.0
209.18994140625	140.0
210.06594848632812	168.0
210.151611328125	156.0
213.4051055908203	152.0
215.37217712402344	148.0
215.6000518798828	220.0
216.10272216796875	140.0
216.79669189453125	124.0
217.0963897705078	572.0
217.18397521972656	140.0
217.60084533691406	208.0
218.0842742919922	284.0
218.11196899414062	480.0
218.6268768310547	164.0
219.07699584960938	164.0
219.11280822753906	5088.0
219.63162231445312	184.0
219.81277465820312	100.0
220.11764526367188	1120.0
220.16241455078125	168.0
221.11395263671875	176.0
221.1332244873047	308.0
221.718505859375	140.0
222.12655639648438	412.0
223.12742614746094	176.0
224.08363342285156	296.0
224.26853942871094	160.0
224.42654418945312	124.0
224.5547637939453	144.0
224.65020751953125	160.0
225.06666564941406	10808.0
225.16061401367188	356.0
225.24606323242188	164.0
225.7254180908203	140.0
225.75830078125	140.0
226.0709228515625	1520.0
227.07601928710938	176.0
227.09832763671875	176.0
227.50210571289062	148.0
228.16893005371094	136.0
228.8881072998047	168.0
229.0146026611328	184.0
229.1260528564453	196.0
230.11085510253906	144.0
230.56837463378906	168.0
231.1123504638672	188.0
232.14100646972656	160.0
232.16680908203125	192.0
232.9346923828125	144.0
232.96810913085938	164.0
233.13064575195312	580.0
233.8103485107422	188.0
234.05691528320312	152.0
238.72036743164062	164.0
239.21017456054688	212.0
239.53903198242188	148.0
240.17510986328125	124.0
240.21376037597656	252.0
241.04151916503906	176.0
241.1342315673828	192.0
241.2115020751953	148.0
242.0922088623047	8640.0
242.15211486816406	152.0
242.19329833984375	524.0
242.26126098632812	152.0
243.08905029296875	1484.0
243.19403076171875	124.0
243.97352600097656	156.0
244.09674072265625	4236.0
244.21737670898438	124.0
244.5157928466797	144.0
244.808837890625	120.0
245.09893798828125	528.0
245.45864868164062	156.0
245.63954162597656	168.0
246.11180114746094	248.0
246.5856170654297	184.0
246.62083435058594	180.0
246.77005004882812	172.0
247.85299682617188	208.0
248.12921142578125	152.0
248.16329956054688	152.0
249.12063598632812	184.0
249.95680236816406	148.0
250.1730194091797	160.0
250.77244567871094	188.0
251.21453857421875	128.0
252.08062744140625	132.0
252.7145233154297	160.0
253.0648651123047	104.0
253.6497039794922	172.0
254.0665283203125	188.0
254.1463623046875	348.0
254.18392944335938	176.0
254.40054321289062	200.0
255.64964294433594	180.0
255.73239135742188	152.0
255.99343872070312	180.0
256.0444030761719	244.0
256.1385498046875	4144.0
256.64080810546875	1580.0
257.1404724121094	144.0
257.2655944824219	152.0
257.5753479003906	168.0
257.6424255371094	180.0
258.06109619140625	148.0
258.4393310546875	140.0
258.700927734375	156.0
260.139892578125	348.0
261.1233825683594	11860.0
261.5354309082031	108.0
261.8218688964844	184.0
262.1266174316406	1656.0
262.3373718261719	224.0
263.125	528.0
263.1485595703125	572.0
263.1866760253906	112.0
263.65167236328125	180.0
264.17724609375	140.0
265.1656188964844	172.0
265.2251281738281	176.0
266.0948181152344	160.0
266.1908874511719	11356.0
266.2586669921875	140.0
266.453857421875	216.0
267.1948547363281	2308.0
267.7289123535156	152.0
267.76611328125	140.0
268.095703125	144.0
268.1404724121094	536.0
268.1734619140625	152.0
268.203125	480.0
268.63775634765625	212.0
268.9972229003906	256.0
269.1031188964844	208.0
269.2132873535156	244.0
269.6177978515625	168.0
270.0862731933594	2032.0
270.1616516113281	96.0
271.0897521972656	444.0
272.07110595703125	140.0
272.10064697265625	172.0
272.14508056640625	128.0
273.1602783203125	156.0
274.15643310546875	140.0
275.165771484375	192.0
276.0182189941406	192.0
276.13726806640625	376.0
276.1687316894531	152.0
276.19677734375	168.0
276.6039123535156	96.0
276.6492004394531	776.0
276.7342224121094	180.0
276.7726135253906	192.0
276.88189697265625	188.0
276.9845886230469	144.0
277.1443176269531	10020.0
277.25958251953125	112.0
277.29443359375	140.0
277.5090026855469	128.0
277.6461486816406	5824.0
277.73284912109375	188.0
277.8171691894531	264.0
277.8900451660156	140.0
278.05120849609375	136.0
278.15045166015625	10272.0
278.2447204589844	192.0
278.6441345214844	192.0
279.15093994140625	996.0
279.7606506347656	160.0
279.84722900390625	212.0
280.15496826171875	156.0
280.69769287109375	96.0
281.03570556640625	96.0
281.0917663574219	120.0
281.28851318359375	132.0
281.6313171386719	140.0
281.96875	204.0
282.18731689453125	580.0
282.6375732421875	144.0
283.2127380371094	380.0
283.8485412597656	152.0
284.113525390625	164.0
284.2026062011719	2436.0
284.30810546875	136.0
284.4607238769531	152.0
284.7359619140625	256.0
284.80792236328125	140.0
284.8745422363281	124.0
285.04180908203125	112.0
285.1434326171875	328.0
285.2019958496094	444.0
285.24005126953125	132.0
285.2776794433594	124.0
285.4146423339844	224.0
285.4501953125	244.0
285.50921630859375	132.0
285.6582946777344	95020.0
285.7450866699219	200.0
285.79998779296875	120.0
285.9039001464844	252.0
285.9697570800781	260.0
285.9955139160156	132.0
286.05462646484375	100.0
286.0763244628906	160.0
286.11053466796875	160.0
286.1595153808594	46364.0
286.20379638671875	180.0
286.29693603515625	144.0
286.32415771484375	160.0
286.4036865234375	192.0
286.4415283203125	128.0
286.5234069824219	120.0
286.55908203125	212.0
286.6134338378906	120.0
286.6609191894531	7860.0
286.7529296875	276.0
286.77740478515625	140.0
286.9975891113281	116.0
287.16168212890625	1228.0
287.2117614746094	176.0
287.2515869140625	132.0
287.40863037109375	108.0
287.45263671875	120.0
287.65924072265625	316.0
287.7618713378906	164.0
288.1122741699219	140.0
288.1844177246094	144.0
288.30194091796875	120.0
288.4373779296875	160.0
288.7563781738281	160.0
288.81573486328125	100.0
288.9613952636719	96.0
289.0671081542969	148.0
289.1551513671875	124.0
289.2486267089844	212.0
289.41455078125	192.0
289.48223876953125	104.0
289.70928955078125	116.0
290.1600646972656	180.0
290.56219482421875	172.0
290.650390625	164.0
291.14642333984375	168.0
291.1784973144531	132.0
291.6439208984375	344.0
292.61834716796875	160.0
293.0440673828125	180.0
293.8828125	152.0
294.0964660644531	168.0
294.1864318847656	660.0
295.1089782714844	156.0
295.1944580078125	116.0
296.4999694824219	132.0
297.96734619140625	148.0
298.074951171875	200.0
298.1880798339844	232.0
299.1571350097656	160.0
299.21209716796875	812.0
299.65753173828125	700.0
300.150634765625	200.0
300.2184143066406	300.0
300.656982421875	172.0
300.80841064453125	200.0
300.87744140625	152.0
301.1433410644531	192.0
301.22772216796875	4016.0
301.8345031738281	208.0
302.2298583984375	388.0
302.32916259765625	196.0
302.460693359375	248.0
303.232666015625	180.0
303.3023681640625	124.0
304.69488525390625	128.0
306.5449523925781	180.0
306.67938232421875	952.0
307.1792297363281	644.0
307.68096923828125	368.0
307.76580810546875	160.0
308.1680908203125	2264.0
308.6248779296875	196.0
308.66668701171875	1164.0
309.0677490234375	168.0
309.1761169433594	348.0
309.44403076171875	156.0
310.1773376464844	144.0
310.2358093261719	192.0
310.2848815917969	188.0
311.212890625	5576.0
311.8293762207031	140.0
312.1407470703125	140.0
312.21630859375	1292.0
313.2147521972656	540.0
313.2755432128906	196.0
313.68865966796875	200.0
314.14739990234375	264.0
314.795654296875	144.0
316.16192626953125	152.0
318.10247802734375	144.0
318.2125244140625	196.0
318.68231201171875	204.0
319.69830322265625	156.0
319.8656005859375	152.0
321.1911315917969	280.0
321.3659362792969	188.0
323.70233154296875	208.0
324.3305358886719	232.0
324.4129638671875	144.0
326.0780334472656	108.0
326.1069641113281	220.0
326.1124267578125	332.0
326.24017333984375	148.0
326.4792785644531	136.0
326.9415588378906	152.0
327.118408203125	148.0
327.2010192871094	1164.0
327.5068054199219	180.0
327.6866149902344	28596.0
327.80120849609375	172.0
327.863037109375	192.0
327.9332275390625	160.0
328.0206604003906	156.0
328.0589294433594	144.0
328.144287109375	172.0
328.1885070800781	9792.0
328.23590087890625	668.0
328.64373779296875	132.0
328.6878356933594	2716.0
329.1952819824219	236.0
329.23773193359375	124.0
329.3463134765625	176.0
329.44384765625	160.0
329.4691162109375	276.0
329.6938781738281	176.0
330.0473937988281	192.0
331.0750732421875	148.0
331.2489318847656	160.0
331.5242919921875	200.0
331.7947692871094	128.0
332.2010192871094	148.0
332.77569580078125	144.0
333.6094055175781	116.0
333.73974609375	156.0
333.9947509765625	212.0
334.1093444824219	104.0
334.19580078125	128.0
334.23114013671875	104.0
334.276611328125	172.0
334.3179931640625	136.0
334.38092041015625	128.0
334.41864013671875	104.0
334.5155334472656	200.0
334.55584716796875	164.0
334.70751953125	368.0
334.87335205078125	332.0
335.00299072265625	108.0
335.05841064453125	172.0
335.0967102050781	332.0
335.1203308105469	260.0
335.1697082519531	296.0
335.2100830078125	400.0
335.2426452636719	264.0
335.2874755859375	172.0
335.31915283203125	260.0
335.3885498046875	180.0
335.45599365234375	268.0
335.5125732421875	268.0
335.5710144042969	360.0
335.7250061035156	388.0
335.7829895019531	120.0
335.79315185546875	372.0
335.8428955078125	204.0
335.89715576171875	200.0
335.95343017578125	396.0
336.00616455078125	612.0
336.03900146484375	140.0
336.0679626464844	176.0
336.0952453613281	360.0
336.12335205078125	912.0
336.1540832519531	440.0
336.2010803222656	180220.0
336.3260192871094	332.0
336.38128662109375	200.0
336.4249572753906	280.0
336.45269775390625	288.0
336.4765319824219	296.0
336.5340881347656	364.0
336.5787048339844	532.0
336.6418151855469	492.0
336.7023620605469	95496.0
336.80419921875	1300.0
336.8431701660156	148.0
336.9061584472656	320.0
336.9341125488281	404.0
336.9688720703125	332.0
337.0137939453125	152.0
337.0705871582031	284.0
337.1046447753906	420.0
337.1381530761719	464.0
337.2025146484375	32808.0
337.3048095703125	224.0
337.42730712890625	292.0
337.4737243652344	296.0
337.5537414550781	196.0
337.66094970703125	532.0
337.70379638671875	5876.0
337.8526306152344	140.0
337.8930969238281	268.0
337.9511413574219	176.0
337.9903259277344	216.0
338.1626281738281	228.0
338.2082214355469	732.0
338.3280334472656	256.0
338.4075622558594	164.0
338.4906921386719	124.0
338.560546875	180.0
338.5943298339844	244.0
338.7156982421875	128.0
338.76287841796875	224.0
338.8223571777344	184.0
338.92486572265625	240.0
338.96026611328125	124.0
339.0148010253906	224.0
339.062744140625	264.0
339.1181945800781	140.0
339.1686706542969	336.0
339.20849609375	544.0
339.2931823730469	180.0
339.3291015625	236.0
339.405029296875	268.0
339.4452209472656	352.0
339.5073547363281	340.0
339.5408020019531	268.0
339.55047607421875	236.0
339.6159973144531	228.0
339.64630126953125	248.0
339.7006530761719	184.0
339.77496337890625	192.0
339.80743408203125	148.0
339.8741455078125	152.0
339.97686767578125	200.0
340.0766906738281	96.0
340.0934143066406	112.0
340.20269775390625	268.0
340.2557067871094	112.0
340.31671142578125	124.0
340.42913818359375	164.0
340.5008544921875	204.0
340.6040344238281	160.0
340.6566467285156	104.0
340.74041748046875	164.0
340.9635925292969	124.0
341.0124816894531	132.0
341.1524353027344	284.0
341.2054443359375	152.0
341.66949462890625	136.0
341.849853515625	100.0
343.46240234375	112.0
343.79010009765625	164.0
344.0601806640625	96.0
344.12969970703125	156.0
345.3158874511719	212.0
346.0166931152344	144.0
346.2447204589844	128.0
347.6473693847656	96.0
347.7945861816406	144.0
348.5373229980469	160.0
352.21435546875	188.0
353.2088928222656	288.0
353.7624206542969	140.0
354.38958740234375	104.0
354.6027526855469	152.0
354.6414489746094	112.0
354.94635009765625	184.0
355.0180358886719	132.0
355.09002685546875	140.0
355.24102783203125	264.0
355.55078125	96.0
355.7326354980469	104.0
356.1873779296875	176.0
356.2335510253906	32128.0
356.37640380859375	208.0
357.2364807128906	8152.0
357.329833984375	120.0
357.7206726074219	108.0
357.8049011230469	132.0
358.1842956542969	156.0
358.2382507324219	1532.0
359.0096130371094	140.0
359.1674499511719	132.0
359.248046875	244.0
359.4875793457031	128.0
360.2577819824219	164.0
360.46832275390625	116.0
363.1966247558594	168.0
367.21490478515625	160.0
367.2744445800781	1760.0
368.1648254394531	156.0
368.27667236328125	768.0
369.28375244140625	352.0
369.315185546875	236.0
370.2502746582031	552.0
371.2500305175781	228.0
371.3451232910156	148.0
372.1361389160156	180.0
372.2354736328125	140.0
372.3583679199219	276.0
373.2499084472656	176.0
374.1386413574219	160.0
374.1771545410156	216.0
376.0891418457031	144.0
377.7197265625	204.0
378.1105041503906	144.0
379.4236145019531	148.0
380.2367248535156	316.0
381.0186462402344	180.0
381.1400146484375	240.0
381.2180480957031	18772.0
381.3789978027344	96.0
381.71905517578125	220.0
382.2212219238281	4636.0
382.5140380859375	104.0
383.221923828125	696.0
383.26568603515625	140.0
384.2292785644531	128.0
384.33868408203125	120.0
384.44921875	140.0
384.56805419921875	104.0
384.81201171875	144.0
385.2298583984375	156.0
386.1366882324219	212.0
387.2463684082031	120.0
388.16656494140625	164.0
389.1688537597656	132.0
391.2028503417969	132.0
393.1374816894531	192.0
397.111328125	104.0
397.2095031738281	388.0
397.26092529296875	572.0
398.1600341796875	160.0
398.2448425292969	7608.0
398.3677673339844	148.0
398.5505065917969	252.0
399.1569519042969	164.0
399.24005126953125	2076.0
400.23504638671875	596.0
401.2475280761719	144.0
401.77142333984375	144.0
401.8272705078125	180.0
402.251220703125	572.0
402.31109619140625	4800.0
403.3141174316406	1428.0
404.1485900878906	156.0
404.3096008300781	136.0
404.38470458984375	140.0
405.3137512207031	252.0
407.24737548828125	140.0
409.2107849121094	204.0
410.2572326660156	160.0
411.2293395996094	160.0
412.2957458496094	312.0
413.2501220703125	120.0
413.2931823730469	248.0
413.863037109375	120.0
415.2709655761719	12924.0
415.8579406738281	132.0
416.15960693359375	1192.0
416.2724914550781	2168.0
417.1574401855469	240.0
417.27569580078125	332.0
418.2630310058594	108.0
419.1551208496094	96.0
419.2839660644531	148.0
420.1344909667969	104.0
425.2210388183594	104.0
426.239990234375	588.0
432.8736877441406	196.0
433.189453125	824.0
434.20172119140625	228.0
435.51544189453125	184.0
439.2987060546875	108.0
440.284423828125	120.0
443.27105712890625	144.0
444.2731018066406	152.0
444.3086853027344	100.0
457.3126220703125	612.0
458.31634521484375	344.0
459.3244934082031	140.0
460.2936096191406	156.0
461.31011962890625	176.0
482.30108642578125	1592.0
483.3055419921875	632.0
484.3118591308594	100.0
491.6744079589844	144.0
499.3232421875	1148.0
500.3284912109375	480.0
501.3094787597656	288.0
507.6812744140625	144.0
516.3554077148438	952.0
517.3590087890625	132.0
518.3622436523438	100.0
535.8746948242188	140.0
551.5791625976562	156.0
553.2881469726562	408.0
554.2944946289062	156.0
560.61865234375	192.0
568.7533569335938	144.0
569.26611328125	200.0
570.3056030273438	1704.0
571.3099975585938	1544.0
572.3040771484375	488.0
575.5983276367188	112.0
577.8648681640625	212.0
581.2811889648438	192.0
597.3154907226562	128.0
598.32568359375	164.0
599.3271484375	172.0
605.5757446289062	108.0
615.3245239257812	336.0
616.3316040039062	488.0
682.3195190429688	140.0
713.9683837890625	108.0
755.1071166992188	172.0
787.663818359375	152.0
789.864013671875	112.0
793.5173950195312	164.0
833.2136840820312	188.0
849.8704833984375	148.0
895.884765625	216.0
922.4874877929688	196.0
949.3445434570312	164.0
1076.8404541015625	176.0
1083.0146484375	200.0
1154.556396484375	172.0
1170.1766357421875	164.0
1171.3343505859375	212.0
1208.0533447265625	156.0
1211.5562744140625	160.0
1238.955810546875	192.0
1240.0279541015625	140.0
1279.294677734375	168.0
1292.7198486328125	164.0
1307.7047119140625	216.0
1313.014404296875	196.0
1313.238037109375	268.0
1324.64404296875	172.0
1330.5977783203125	140.0
1339.710205078125	184.0
1352.430419921875	184.0
1356.5323486328125	152.0
1366.18896484375	148.0
1374.4259033203125	208.0
1375.0751953125	192.0
1375.850341796875	152.0
1380.3720703125	196.0
1390.58056640625	168.0
1394.9852294921875	148.0
1400.402099609375	396.0
1400.9459228515625	148.0
1407.5986328125	152.0
1414.1175537109375	172.0
1414.259765625	192.0
1416.38623046875	148.0
1419.4364013671875	144.0
1428.35107421875	140.0
1432.9130859375	152.0
1435.769775390625	148.0
1445.045654296875	140.0
1466.9859619140625	212.0
1469.4644775390625	160.0
1472.8310546875	180.0
1473.2435302734375	180.0
1476.0255126953125	196.0
1483.3675537109375	140.0
1484.2952880859375	180.0
1490.1285400390625	204.0
1491.0889892578125	140.0
1506.213623046875	216.0
1536.3328857421875	152.0
1536.5279541015625	156.0
1536.9024658203125	212.0
1539.697021484375	172.0
1542.6334228515625	112.0
1547.6966552734375	200.0
1549.8427734375	168.0
1555.8897705078125	248.0
1567.4515380859375	156.0
1568.8150634765625	192.0
1570.6680908203125	156.0
1605.1116943359375	148.0
1609.4044189453125	172.0
1612.9114990234375	188.0
1613.9268798828125	156.0
1614.6385498046875	252.0
1623.3194580078125	188.0
1639.9368896484375	232.0
1641.92822265625	176.0
1648.7662353515625	220.0
1654.0638427734375	140.0
1655.731689453125	160.0
1664.4248046875	152.0
1666.6422119140625	144.0
1689.274169921875	208.0
1695.423095703125	244.0
1700.540771484375	184.0
1701.886962890625	152.0
1705.5345458984375	172.0
1708.8568115234375	200.0
1713.442626953125	160.0
1741.5181884765625	156.0
1747.0458984375	140.0
1755.5665283203125	168.0
1761.4588623046875	204.0
1761.9600830078125	196.0
1764.5438232421875	156.0
1766.097900390625	148.0
1766.181640625	264.0
1766.725341796875	180.0
1769.39501953125	140.0
1779.0526123046875	176.0
1788.0548095703125	160.0
1790.7825927734375	140.0
1793.546142578125	164.0
1813.3748779296875	184.0
1814.892333984375	204.0
1816.7835693359375	144.0
1823.20263671875	144.0
1835.2135009765625	216.0
1863.0455322265625	352.0
1864.3687744140625	148.0
1864.78125	208.0
1867.0079345703125	164.0
1869.97607421875	148.0
1873.7476806640625	152.0
1875.16943359375	212.0
1875.2900390625	140.0
1879.12744140625	216.0
1883.677001953125	172.0
1885.405029296875	264.0
1885.70751953125	152.0
1886.1741943359375	164.0
1894.1695556640625	144.0
1896.786376953125	148.0
1898.62451171875	260.0
1899.3876953125	188.0
1899.986328125	188.0
1901.1575927734375	196.0
1903.484130859375	164.0
1904.8736572265625	204.0
1905.1690673828125	240.0
1905.89013671875	244.0
1914.144775390625	156.0
1923.578125	168.0
1924.101806640625	148.0
1927.5955810546875	192.0
1936.4224853515625	204.0
1945.2342529296875	160.0
1945.489013671875	244.0
1950.8302001953125	152.0
1956.604736328125	196.0
1957.419921875	144.0
1957.8338623046875	180.0
1962.7069091796875	232.0
1969.113525390625	192.0
1980.8065185546875	144.0
1982.0025634765625	152.0
1983.3583984375	140.0
1983.4559326171875	148.0
1983.5357666015625	144.0
1983.6953125	152.0
1984.688232421875	204.0
1989.16845703125	176.0
1991.414794921875	180.0
1994.19580078125	188.0
1997.601318359375	140.0
1998.6065673828125	180.0
1998.927001953125	152.0
2000.4666748046875	160.0
2001.08984375	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079270
PEPMASS=390.209045
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=vinorelbine??tartrate [M+2H]2+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCC1=C[C@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@@H]7[C@@]86CCN9CC=C[C@](CC)([C@H]98)[C@@H](OC(=O)C)[C@]7(O)C(=O)OC
INCHI=InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37+,38-,39-,42-,43-,44+,45+/m1/s1
INCHIAUX=GBABOYUKABKIAF-JKVZWNDSSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079270
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079270
SCANS=1156
46.32393264770508	172.0
48.15692901611328	168.0
50.45010757446289	156.0
53.95259475708008	144.0
61.53789520263672	192.0
63.30848693847656	164.0
64.27658081054688	216.0
64.34840393066406	332.0
65.94355773925781	144.0
67.55987548828125	196.0
67.58441925048828	140.0
69.46920776367188	212.0
70.0693588256836	160.0
71.91734313964844	204.0
72.86394500732422	160.0
73.33871459960938	160.0
75.24630737304688	192.0
75.57123565673828	184.0
76.29444885253906	172.0
76.86921691894531	144.0
78.10083770751953	148.0
79.24654388427734	144.0
79.3777084350586	176.0
80.17945098876953	208.0
82.0147705078125	140.0
83.7688217163086	144.0
86.89604949951172	168.0
87.0296859741211	164.0
89.04838562011719	176.0
89.58822631835938	204.0
93.056396484375	144.0
93.36857604980469	160.0
93.8962631225586	212.0
94.05809783935547	192.0
94.0757064819336	244.0
98.10045623779297	380.0
102.22938537597656	144.0
102.63426971435547	160.0
102.8037109375	192.0
105.06904602050781	212.0
106.06861114501953	160.0
107.07270812988281	740.0
108.0814208984375	288.0
110.09976959228516	372.0
110.32849884033203	208.0
118.08658599853516	164.0
118.93157958984375	160.0
119.04476928710938	180.0
119.74474334716797	228.0
121.08766174316406	968.0
121.3135986328125	208.0
121.7418212890625	140.0
122.01390075683594	200.0
122.04248046875	140.0
122.09672546386719	21752.0
122.23384857177734	156.0
122.26615905761719	200.0
123.0998764038086	2076.0
124.11067199707031	328.0
124.2089614868164	140.0
125.9853515625	148.0
129.06898498535156	204.0
130.06451416015625	584.0
131.0736541748047	176.0
132.0826416015625	316.0
133.09303283691406	160.0
134.07296752929688	176.0
134.09596252441406	340.0
136.0738067626953	152.0
136.11611938476562	180.0
142.07443237304688	168.0
143.03274536132812	188.0
143.07559204101562	148.0
144.08226013183594	232.0
146.09815979003906	152.0
150.092041015625	148.0
151.85523986816406	156.0
153.47581481933594	152.0
154.0663604736328	488.0
154.0912628173828	256.0
154.12744140625	156.0
155.06781005859375	184.0
155.10250854492188	160.0
156.079345703125	320.0
157.091796875	304.0
158.09255981445312	192.0
162.09263610839844	232.0
162.196533203125	148.0
164.1072540283203	244.0
166.08763122558594	168.0
167.06790161132812	380.0
167.7281036376953	152.0
168.08401489257812	496.0
169.0789031982422	140.0
169.10479736328125	228.0
170.0978546142578	144.0
172.07901000976562	612.0
173.08010864257812	292.0
174.09019470214844	760.0
175.07308959960938	268.0
175.09835815429688	164.0
176.4398651123047	240.0
178.60372924804688	232.0
180.04026794433594	144.0
180.08123779296875	1040.0
181.08665466308594	860.0
182.05772399902344	292.0
182.09312438964844	288.0
183.07061767578125	164.0
184.11509704589844	200.0
184.5601348876953	148.0
185.09046936035156	152.0
186.09046936035156	280.0
187.09767150878906	296.0
187.48367309570312	160.0
187.6172332763672	176.0
188.10670471191406	1828.0
189.1084747314453	448.0
190.1039581298828	368.0
191.2054901123047	144.0
192.10096740722656	152.0
193.08584594726562	344.0
193.1064453125	180.0
193.992431640625	144.0
194.05674743652344	256.0
194.0930938720703	428.0
195.05882263183594	148.0
196.10684204101562	228.0
197.088623046875	436.0
197.56253051757812	168.0
198.0902099609375	2356.0
198.98899841308594	240.0
199.09713745117188	860.0
199.13221740722656	200.0
200.07138061523438	152.0
200.10513305664062	696.0
200.13613891601562	152.0
201.1151123046875	768.0
203.1170196533203	144.0
204.09616088867188	268.0
206.1040802001953	156.0
207.09388732910156	196.0
208.07781982421875	260.0
208.11355590820312	540.0
208.51695251464844	236.0
208.61180114746094	168.0
209.10328674316406	192.0
209.12423706054688	176.0
211.0963592529297	280.0
211.5947723388672	144.0
212.07273864746094	232.0
212.1107940673828	436.0
212.62088012695312	164.0
213.1054229736328	152.0
213.19589233398438	168.0
214.0559539794922	176.0
214.08644104003906	1416.0
214.61097717285156	144.0
215.09002685546875	356.0
215.11862182617188	196.0
216.1001434326172	180.0
216.76187133789062	160.0
217.10484313964844	164.0
217.61834716796875	168.0
218.0874786376953	184.0
220.07858276367188	488.0
220.3219757080078	176.0
220.59864807128906	200.0
221.11468505859375	204.0
222.11141967773438	104.0
223.1173858642578	188.0
223.61337280273438	160.0
224.1094512939453	224.0
225.1367950439453	208.0
226.08847045898438	520.0
227.13607788085938	192.0
227.59823608398438	168.0
227.62525939941406	180.0
228.10604858398438	300.0
230.11988830566406	200.0
231.11367797851562	156.0
232.10572814941406	288.0
234.13108825683594	468.0
235.12167358398438	692.0
235.61085510253906	204.0
236.11529541015625	352.0
236.15045166015625	140.0
237.10711669921875	176.0
237.638427734375	200.0
238.08489990234375	728.0
238.11778259277344	160.0
239.09664916992188	168.0
239.12255859375	168.0
239.15484619140625	396.0
240.10147094726562	528.0
240.1617431640625	192.0
241.1237335205078	684.0
241.63287353515625	220.0
242.11370849609375	304.0
242.6298065185547	172.0
243.1082000732422	392.0
243.1473846435547	156.0
243.6038055419922	164.0
245.109619140625	148.0
245.14476013183594	160.0
246.1339111328125	148.0
246.64508056640625	184.0
247.12928771972656	172.0
247.62753295898438	168.0
248.12554931640625	164.0
249.93170166015625	140.0
250.095703125	176.0
250.1317138671875	232.0
250.63070678710938	288.0
251.1459503173828	128.0
251.59896850585938	148.0
251.6390380859375	408.0
252.103759765625	132.0
252.1492156982422	196.0
253.13351440429688	256.0
253.6329803466797	184.0
254.14210510253906	172.0
255.11964416503906	96.0
255.63986206054688	304.0
256.1194763183594	176.0
256.6403503417969	340.0
257.1177978515625	172.0
258.1092224121094	272.0
259.12066650390625	240.0
259.4346008300781	220.0
259.6558532714844	140.0
260.1192932128906	376.0
261.109375	324.0
261.1396484375	184.0
261.3777160644531	152.0
261.622314453125	196.0
262.1195373535156	360.0
262.6341247558594	364.0
263.1295166015625	148.0
263.1556701660156	420.0
264.1236572265625	480.0
264.15777587890625	452.0
264.45965576171875	176.0
264.635009765625	156.0
265.10845947265625	120.0
265.1341552734375	216.0
265.6261291503906	176.0
265.6488342285156	160.0
265.6812744140625	148.0
266.1144104003906	324.0
266.16339111328125	412.0
266.6711730957031	168.0
267.1283874511719	120.0
267.6475830078125	268.0
269.1455078125	212.0
270.0592346191406	212.0
270.1161804199219	200.0
270.1408386230469	156.0
271.12469482421875	184.0
271.362548828125	156.0
271.6249084472656	164.0
272.1275634765625	772.0
273.1445007324219	212.0
273.6360778808594	148.0
274.12237548828125	468.0
275.7240905761719	188.0
276.6402893066406	184.0
277.1211242675781	132.0
278.1476135253906	144.0
278.6267395019531	164.0
279.14666748046875	188.0
280.12945556640625	144.0
280.6369323730469	184.0
281.0872497558594	144.0
281.1142578125	124.0
281.1466979980469	156.0
281.1806640625	264.0
281.644775390625	256.0
282.1325988769531	308.0
282.38006591796875	196.0
282.62762451171875	180.0
283.1397705078125	172.0
284.12188720703125	168.0
285.12701416015625	176.0
286.1147766113281	148.0
286.1484375	196.0
286.6368103027344	380.0
287.1480712890625	212.0
287.6536865234375	164.0
288.1298828125	148.0
288.1540222167969	188.0
288.65875244140625	404.0
289.1511535644531	144.0
289.65716552734375	188.0
290.1146240234375	204.0
290.146728515625	144.0
291.15203857421875	284.0
291.3906555175781	152.0
292.14508056640625	172.0
292.6354675292969	176.0
293.648193359375	180.0
294.1176452636719	112.0
294.1489562988281	268.0
294.6573791503906	420.0
295.15478515625	396.0
296.12786865234375	116.0
296.1586608886719	120.0
296.663330078125	140.0
297.1395263671875	216.0
297.1971130371094	468.0
298.1116027832031	188.0
298.14678955078125	180.0
298.1991882324219	176.0
299.1072998046875	228.0
299.1470642089844	332.0
300.1125793457031	200.0
300.1556396484375	304.0
301.12408447265625	252.0
301.1716003417969	96.0
301.649658203125	180.0
301.67901611328125	160.0
302.1409606933594	256.0
302.6684875488281	220.0
303.1351623535156	216.0
303.1441955566406	156.0
303.1577453613281	268.0
303.6318664550781	172.0
303.6665344238281	140.0
304.1392517089844	236.0
304.32586669921875	152.0
305.6522216796875	168.0
306.15118408203125	264.0
306.5171813964844	164.0
307.1505126953125	284.0
307.18084716796875	412.0
308.1352233886719	312.0
308.188720703125	408.0
308.56597900390625	140.0
308.65478515625	1008.0
309.15692138671875	496.0
309.64202880859375	180.0
309.6758117675781	204.0
310.10858154296875	176.0
310.1441650390625	184.0
310.4848327636719	152.0
310.6546325683594	300.0
311.11053466796875	100.0
311.1485290527344	132.0
311.6432189941406	168.0
312.11773681640625	176.0
312.1531066894531	340.0
312.2161865234375	168.0
312.6490173339844	208.0
313.14404296875	192.0
314.14251708984375	196.0
314.6474609375	144.0
315.148193359375	580.0
315.1878356933594	180.0
315.6728820800781	168.0
316.1688537597656	280.0
316.6382141113281	168.0
316.6681823730469	312.0
317.1407775878906	212.0
317.6492004394531	416.0
318.1407775878906	148.0
318.68499755859375	172.0
319.1079406738281	148.0
319.15960693359375	144.0
319.1874694824219	152.0
320.1758117675781	156.0
320.6385803222656	164.0
321.1631164550781	160.0
321.1925048828125	232.0
321.61224365234375	164.0
321.64111328125	472.0
322.1050109863281	168.0
322.1444396972656	204.0
323.1059265136719	184.0
323.1745300292969	1676.0
323.6579895019531	132.0
324.1786193847656	376.0
324.668212890625	3868.0
325.16973876953125	2440.0
325.47503662109375	148.0
325.6689147949219	1284.0
326.1089782714844	140.0
326.1512756347656	480.0
327.14862060546875	440.0
327.9717102050781	144.0
328.1634826660156	300.0
328.4945373535156	140.0
329.1225280761719	208.0
329.16485595703125	1268.0
330.1671142578125	672.0
330.4924011230469	144.0
330.6443786621094	164.0
330.677001953125	168.0
331.1685485839844	144.0
331.66937255859375	140.0
331.6983642578125	180.0
332.0174255371094	188.0
332.1749267578125	112.0
334.15557861328125	100.0
335.1565246582031	196.0
336.1554870605469	132.0
336.16729736328125	116.0
336.18017578125	348.0
337.19561767578125	412.0
337.6513977050781	224.0
338.16650390625	172.0
338.65325927734375	168.0
339.14849853515625	112.0
339.1865234375	128.0
340.1410827636719	132.0
340.1740417480469	292.0
340.5932922363281	124.0
341.1566162109375	220.0
341.6606750488281	380.0
341.82672119140625	96.0
342.1512756347656	388.0
343.14678955078125	228.0
343.2221374511719	140.0
343.7053527832031	148.0
344.1130676269531	136.0
344.14825439453125	312.0
344.1844482421875	160.0
344.6702575683594	332.0
345.1526184082031	176.0
345.17071533203125	232.0
345.6807556152344	144.0
346.1786193847656	348.0
346.6376037597656	172.0
346.6948547363281	224.0
347.10467529296875	172.0
347.1771240234375	156.0
348.1669616699219	316.0
349.13861083984375	176.0
350.1183776855469	140.0
350.1644592285156	304.0
350.19659423828125	192.0
351.174072265625	228.0
351.69171142578125	200.0
352.1558532714844	436.0
352.67779541015625	144.0
353.1842041015625	464.0
353.6896667480469	220.0
354.167724609375	616.0
354.22686767578125	172.0
354.6766357421875	132.0
355.172607421875	564.0
355.6817626953125	156.0
356.147216796875	436.0
357.1609802246094	1096.0
358.16558837890625	360.0
358.351806640625	164.0
359.1692199707031	144.0
360.19439697265625	644.0
360.694580078125	488.0
361.20147705078125	156.0
363.1713562011719	252.0
364.15045166015625	148.0
364.19024658203125	128.0
364.4775390625	144.0
365.15673828125	164.0
365.1833801269531	228.0
365.67974853515625	208.0
366.1894836425781	160.0
367.1685791015625	260.0
368.17828369140625	244.0
368.3177185058594	184.0
368.6539001464844	196.0
369.1767578125	104.0
369.2149963378906	212.0
369.7055358886719	184.0
371.17266845703125	152.0
371.2992248535156	208.0
372.18182373046875	164.0
372.2432556152344	140.0
373.1577453613281	144.0
374.1977233886719	244.0
374.5430908203125	220.0
374.6848449707031	216.0
375.1593933105469	264.0
375.6923828125	600.0
376.1910400390625	656.0
376.6929931640625	336.0
377.1460266113281	208.0
377.2016906738281	152.0
378.2010803222656	180.0
379.1546630859375	132.0
379.1983947753906	176.0
379.7882385253906	160.0
380.1872253417969	308.0
380.70416259765625	180.0
381.21893310546875	148.0
381.6328430175781	188.0
381.6927490234375	504.0
382.18902587890625	1092.0
382.2396240234375	248.0
382.69854736328125	184.0
383.1829528808594	356.0
385.19427490234375	140.0
387.68499755859375	104.0
388.1947937011719	148.0
388.6889343261719	208.0
388.7427978515625	172.0
388.86090087890625	184.0
388.90289306640625	244.0
388.9774475097656	120.0
389.0225524902344	140.0
389.19488525390625	4132.0
389.2469787597656	580.0
389.35968017578125	276.0
389.4584045410156	196.0
389.49346923828125	164.0
389.6970520019531	1828.0
389.8730163574219	192.0
389.96221923828125	112.0
390.0458679199219	212.0
390.0744323730469	152.0
390.2055969238281	54728.0
390.2774353027344	236.0
390.35797119140625	192.0
390.4564208984375	192.0
390.5665283203125	144.0
390.65130615234375	232.0
390.7069396972656	29948.0
390.867919921875	132.0
390.93035888671875	136.0
390.9654541015625	96.0
391.0802307128906	148.0
391.2074890136719	8180.0
391.269775390625	228.0
391.42791748046875	96.0
391.5187683105469	156.0
391.5822448730469	188.0
391.63299560546875	344.0
391.7060852050781	1868.0
391.8531494140625	120.0
391.9891357421875	112.0
392.0986022949219	132.0
392.14892578125	104.0
392.1974182128906	504.0
392.5740661621094	96.0
392.66015625	108.0
392.7113342285156	152.0
392.869873046875	136.0
392.98529052734375	120.0
393.2025146484375	116.0
393.2523498535156	140.0
393.3207092285156	96.0
393.4333190917969	108.0
393.536376953125	128.0
393.5877380371094	116.0
393.6340637207031	224.0
393.7211608886719	144.0
393.8128967285156	140.0
393.85791015625	136.0
393.94500732421875	144.0
393.99749755859375	144.0
394.0543212890625	232.0
394.1553649902344	140.0
394.2115173339844	164.0
394.28070068359375	104.0
394.4387512207031	124.0
394.543701171875	152.0
394.7755432128906	108.0
394.8679504394531	164.0
395.1734924316406	284.0
395.9665832519531	128.0
396.1873474121094	260.0
396.7935485839844	108.0
397.2138671875	392.0
398.20721435546875	292.0
399.21435546875	140.0
401.1351318359375	136.0
401.1803283691406	112.0
401.19500732421875	148.0
401.20452880859375	176.0
407.1979064941406	292.0
408.1982116699219	312.0
408.27044677734375	176.0
409.20343017578125	192.0
409.70526123046875	140.0
409.8019714355469	176.0
410.1799011230469	184.0
410.716064453125	188.0
411.2214050292969	152.0
413.1871643066406	184.0
414.2053527832031	144.0
415.18975830078125	100.0
417.1863708496094	188.0
418.1966857910156	144.0
419.236572265625	192.0
420.2054138183594	132.0
421.1731262207031	176.0
421.209716796875	140.0
424.2384948730469	312.0
425.17840576171875	400.0
425.9081115722656	148.0
426.19537353515625	392.0
427.197021484375	1088.0
428.20263671875	372.0
429.2069396972656	244.0
430.2070617675781	148.0
432.19818115234375	160.0
435.2248840332031	168.0
436.2427673339844	184.0
437.23455810546875	204.0
437.84466552734375	184.0
438.18621826171875	160.0
439.1899719238281	204.0
442.211669921875	140.0
442.8271179199219	168.0
443.2143859863281	136.0
444.1432189941406	140.0
450.2755432128906	144.0
451.2232971191406	124.0
453.1928405761719	216.0
453.21844482421875	456.0
455.21240234375	432.0
456.221435546875	336.0
457.0080261230469	196.0
457.23419189453125	4988.0
457.3007507324219	168.0
457.3316345214844	164.0
457.4156799316406	172.0
458.06292724609375	148.0
458.2361755371094	1864.0
459.2445373535156	380.0
460.2439270019531	124.0
460.485595703125	140.0
461.4470520019531	152.0
462.2100830078125	152.0
462.2535705566406	140.0
462.98748779296875	152.0
465.2325744628906	156.0
466.2069091796875	156.0
467.1422119140625	336.0
467.21728515625	8940.0
467.3871765136719	124.0
467.5672302246094	116.0
468.1092529296875	164.0
468.2209777832031	3040.0
469.229248046875	1420.0
470.1918640136719	244.0
470.2342834472656	312.0
471.2230529785156	116.0
472.2152099609375	136.0
473.2293701171875	124.0
474.2019348144531	280.0
475.2220764160156	216.0
476.22601318359375	108.0
478.2846984863281	188.0
479.21844482421875	144.0
481.2440490722656	428.0
482.2381286621094	140.0
483.24713134765625	164.0
484.1936340332031	152.0
484.2570495605469	432.0
484.6475830078125	208.0
485.23919677734375	212.0
487.2198181152344	168.0
487.2577209472656	132.0
489.2139587402344	244.0
490.18682861328125	184.0
491.2202453613281	128.0
493.2283935546875	272.0
495.2099609375	616.0
496.2218322753906	576.0
497.1927185058594	140.0
497.25396728515625	140.0
499.2122802734375	104.0
500.2300720214844	124.0
503.25152587890625	160.0
504.20745849609375	148.0
507.2554931640625	100.0
508.1793212890625	180.0
508.2549743652344	204.0
508.30047607421875	188.0
509.252197265625	188.0
510.234375	236.0
510.27545166015625	236.0
512.21630859375	140.0
513.2333984375	332.0
514.2440795898438	452.0
515.0851440429688	200.0
519.235595703125	160.0
520.2664184570312	128.0
522.2376708984375	308.0
522.3331909179688	144.0
523.2106323242188	108.0
524.2584838867188	152.0
525.2333984375	136.0
527.1705322265625	188.0
527.2351684570312	1180.0
527.868408203125	120.0
528.2459106445312	648.0
529.255859375	144.0
531.0390014648438	160.0
531.2572631835938	128.0
533.2483520507812	152.0
537.2164306640625	144.0
537.331787109375	148.0
538.25830078125	316.0
538.3086547851562	192.0
539.2709350585938	328.0
539.3075561523438	140.0
540.24609375	124.0
541.2600708007812	444.0
542.2608032226562	284.0
545.2824096679688	196.0
546.2598266601562	152.0
547.212890625	196.0
547.2966918945312	148.0
548.273193359375	172.0
549.28662109375	144.0
550.2691040039062	144.0
551.544189453125	104.0
552.2526245117188	144.0
556.2494506835938	152.0
557.288818359375	128.0
559.2826538085938	124.0
560.2512817382812	156.0
560.293701171875	160.0
560.5009765625	144.0
564.3125610351562	116.0
566.27197265625	376.0
567.276611328125	136.0
568.2545166015625	128.0
569.268310546875	144.0
570.2591552734375	156.0
575.2987060546875	140.0
576.3001098632812	232.0
579.283447265625	204.0
580.245361328125	152.0
580.2987060546875	140.0
584.2709350585938	244.0
584.977294921875	148.0
585.2830810546875	116.0
591.298583984375	160.0
592.2498168945312	132.0
592.3267822265625	188.0
593.475341796875	156.0
594.2464599609375	144.0
594.2960205078125	156.0
597.744873046875	160.0
598.2891845703125	2212.0
598.611328125	140.0
599.2924194335938	1236.0
600.294189453125	272.0
601.1665649414062	176.0
601.2884521484375	176.0
602.24951171875	232.0
608.277587890625	116.0
609.2444458007812	140.0
611.306884765625	172.0
614.6898803710938	160.0
617.4711303710938	160.0
620.2883911132812	284.0
622.2467041015625	116.0
622.2919311523438	184.0
623.3683471679688	148.0
624.2682495117188	432.0
625.2805786132812	388.0
626.2841796875	1744.0
627.2973022460938	1024.0
628.2846069335938	184.0
628.2985229492188	192.0
628.52294921875	128.0
629.2698364257812	164.0
636.2568969726562	152.0
636.3175048828125	220.0
637.3291015625	108.0
639.2942504882812	136.0
640.9998779296875	156.0
642.3056640625	160.0
643.2915649414062	256.0
643.4309692382812	156.0
644.2930908203125	116.0
649.328369140625	108.0
650.325439453125	212.0
651.2952270507812	224.0
654.2840576171875	152.0
655.3163452148438	168.0
655.8959350585938	232.0
656.177734375	152.0
656.2959594726562	720.0
656.77490234375	140.0
657.294921875	272.0
657.5249633789062	152.0
657.8763427734375	172.0
657.9762573242188	176.0
658.1047973632812	140.0
658.1856079101562	140.0
658.3112182617188	26156.0
658.4423217773438	116.0
658.5464477539062	116.0
658.72509765625	120.0
659.1199340820312	104.0
659.3157958984375	8744.0
659.4769287109375	320.0
659.5576782226562	140.0
660.1171264648438	144.0
660.3182373046875	2456.0
661.321533203125	212.0
661.6914672851562	116.0
662.24609375	200.0
662.3307495117188	256.0
662.84228515625	156.0
664.3738403320312	120.0
676.3271484375	116.0
677.322265625	112.0
677.3541870117188	288.0
680.29541015625	136.0
682.3218994140625	216.0
683.255859375	140.0
683.3170776367188	164.0
695.300048828125	180.0
696.3271484375	1628.0
697.330078125	992.0
698.3502807617188	244.0
700.3313598632812	112.0
735.3579711914062	164.0
736.359130859375	304.0
737.3587036132812	120.0
750.3858032226562	128.0
750.4385375976562	152.0
751.375	112.0
1006.8783569335938	152.0
1177.0157470703125	148.0
1334.7833251953125	148.0
1365.9981689453125	228.0
1379.936279296875	140.0
1472.2052001953125	152.0
1492.626953125	180.0
1508.516845703125	140.0
1562.7828369140625	140.0
1602.1234130859375	164.0
1603.7489013671875	152.0
1605.781982421875	160.0
1615.9268798828125	184.0
1644.0262451171875	164.0
1673.3447265625	264.0
1759.0628662109375	208.0
1771.6650390625	152.0
1787.4410400390625	144.0
1806.5592041015625	148.0
1855.6568603515625	144.0
1857.6207275390625	156.0
1902.8421630859375	144.0
1905.8994140625	164.0
1947.3687744140625	156.0
1971.181396484375	164.0
1994.6763916015625	176.0
2003.0140380859375	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079271
PEPMASS=779.409363
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=40.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=vinorelbine??tartrate [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CCC1=C[C@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@@H]7[C@@]86CCN9CC=C[C@](CC)([C@H]98)[C@@H](OC(=O)C)[C@]7(O)C(=O)OC
INCHI=InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37+,38-,39-,42-,43-,44+,45+/m1/s1
INCHIAUX=GBABOYUKABKIAF-JKVZWNDSSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079271
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079271
SCANS=1157
54.641883850097656	180.0
78.20816802978516	164.0
97.456787109375	140.0
98.100341796875	248.0
106.06400299072266	140.0
107.07075500488281	156.0
110.1010513305664	192.0
121.06819915771484	176.0
121.08881378173828	184.0
122.09839630126953	1612.0
122.14144897460938	160.0
123.10221862792969	164.0
124.61299133300781	156.0
136.11251831054688	544.0
140.07058715820312	184.0
144.08157348632812	136.0
145.2501983642578	144.0
151.3896026611328	220.0
154.06814575195312	168.0
155.65078735351562	144.0
156.92222595214844	176.0
160.0743408203125	192.0
162.50338745117188	212.0
164.0996856689453	196.0
168.07626342773438	208.0
169.21092224121094	160.0
170.0626678466797	148.0
171.06710815429688	196.0
171.0931396484375	160.0
180.1043701171875	200.0
182.06057739257812	304.0
188.10714721679688	420.0
192.09898376464844	376.0
194.40570068359375	172.0
197.11517333984375	164.0
199.0985107421875	144.0
202.09022521972656	172.0
203.08822631835938	168.0
205.0938262939453	144.0
206.1097869873047	172.0
209.1180419921875	152.0
212.13070678710938	140.0
214.08619689941406	2432.0
215.0902099609375	176.0
216.11184692382812	176.0
216.5333709716797	140.0
217.1077880859375	176.0
224.12660217285156	476.0
234.1026611328125	140.0
236.14529418945312	140.0
239.15113830566406	236.0
239.77711486816406	228.0
240.10133361816406	856.0
241.10328674316406	272.0
243.09461975097656	152.0
246.1202392578125	176.0
246.7982635498047	200.0
247.1268310546875	152.0
248.12831115722656	152.0
256.15277099609375	164.0
257.12841796875	172.0
257.83740234375	140.0
263.1532897949219	652.0
264.15850830078125	168.0
265.16571044921875	392.0
273.13336181640625	256.0
274.1252136230469	156.0
276.1231994628906	100.0
277.13043212890625	176.0
279.1585388183594	164.0
281.1372985839844	192.0
282.1293029785156	152.0
285.13592529296875	172.0
291.1474304199219	1868.0
292.0433349609375	168.0
292.1546936035156	484.0
293.15399169921875	236.0
294.1408996582031	320.0
295.256103515625	188.0
297.1331787109375	148.0
297.1910095214844	140.0
304.1731262207031	204.0
305.16375732421875	200.0
306.14605712890625	224.0
307.17694091796875	256.0
311.1515197753906	144.0
314.71099853515625	172.0
317.1661376953125	184.0
319.17706298828125	248.0
320.1917724609375	192.0
321.20941162109375	164.0
322.09429931640625	176.0
322.29791259765625	184.0
323.17315673828125	5416.0
324.1796569824219	1116.0
325.17999267578125	128.0
335.1690979003906	140.0
337.1839294433594	120.0
337.8672180175781	192.0
347.177001953125	416.0
348.16473388671875	168.0
348.1868591308594	300.0
349.19683837890625	168.0
357.1606750488281	496.0
358.1709899902344	156.0
359.1698303222656	140.0
362.2088623046875	164.0
363.1867980957031	236.0
365.1766052246094	144.0
367.18255615234375	412.0
377.16436767578125	140.0
379.20318603515625	1968.0
379.24542236328125	152.0
380.19818115234375	136.0
381.210205078125	492.0
384.7013854980469	152.0
384.8667907714844	140.0
387.17388916015625	156.0
389.1839599609375	500.0
390.18603515625	256.0
392.203369140625	128.0
395.1703186035156	340.0
395.2239685058594	144.0
397.21160888671875	308.0
398.2177429199219	156.0
402.1985168457031	168.0
404.14471435546875	180.0
412.14617919921875	260.0
413.1502380371094	148.0
427.2055969238281	372.0
428.19940185546875	352.0
434.1316833496094	96.0
440.2008361816406	140.0
450.25006103515625	116.0
451.25341796875	156.0
452.2584533691406	148.0
455.19085693359375	132.0
456.11407470703125	140.0
457.2326354980469	1596.0
458.2389831542969	476.0
459.2430114746094	380.0
466.2431640625	120.0
467.216796875	1020.0
468.2207946777344	404.0
469.2345886230469	3808.0
470.2344665527344	840.0
471.2461242675781	264.0
473.3138732910156	140.0
477.27978515625	184.0
478.229248046875	264.0
478.2696228027344	324.0
479.25982666015625	168.0
486.0770263671875	144.0
488.305908203125	204.0
495.20947265625	420.0
496.20648193359375	124.0
501.267578125	112.0
510.27740478515625	452.0
511.2978210449219	120.0
512.2841796875	192.0
513.2202758789062	156.0
522.2513427734375	148.0
527.2405395507812	988.0
528.242431640625	336.0
529.24072265625	228.0
530.2778930664062	160.0
536.0914306640625	144.0
536.2763061523438	148.0
537.2833251953125	184.0
538.2225341796875	304.0
538.2589111328125	120.0
538.3005981445312	144.0
541.2410278320312	104.0
544.282958984375	160.0
550.2899780273438	140.0
556.286865234375	204.0
557.2817993164062	224.0
560.2952270507812	100.0
566.1553955078125	160.0
566.2611694335938	680.0
567.26708984375	572.0
568.2710571289062	108.0
571.2862548828125	152.0
576.311279296875	348.0
577.3153076171875	204.0
582.2655029296875	140.0
588.30322265625	1360.0
589.3030395507812	656.0
590.3236694335938	160.0
590.4310913085938	120.0
596.4658203125	172.0
598.290283203125	3356.0
599.2937622070312	1056.0
600.28955078125	712.0
600.3903198242188	132.0
600.6339111328125	140.0
601.2993774414062	120.0
611.2799682617188	184.0
616.298095703125	280.0
617.3102416992188	204.0
617.3475341796875	256.0
621.2860717773438	132.0
624.2752075195312	172.0
625.275146484375	164.0
626.2894897460938	1436.0
627.2913208007812	428.0
628.281494140625	196.0
636.3010864257812	484.0
637.3151245117188	452.0
638.3118896484375	148.0
642.2703247070312	168.0
646.3016967773438	140.0
646.3573608398438	148.0
648.3255615234375	532.0
649.3330688476562	388.0
650.328125	396.0
656.2920532226562	104.0
658.3097534179688	2712.0
658.4588012695312	128.0
659.31396484375	1636.0
659.6825561523438	168.0
660.3165893554688	588.0
661.2971801757812	96.0
670.3071899414062	132.0
671.3220825195312	236.0
686.34521484375	104.0
687.3600463867188	268.0
696.329833984375	608.0
697.3345947265625	308.0
698.2841796875	160.0
702.3291625976562	140.0
704.3930053710938	144.0
714.62890625	132.0
718.3652954101562	120.0
719.3714599609375	244.0
736.0057373046875	160.0
747.3457641601562	120.0
760.2845458984375	212.0
760.3778686523438	180.0
775.3452758789062	100.0
776.3804321289062	112.0
776.759521484375	144.0
777.3839111328125	1316.0
778.3875122070312	844.0
778.6799926757812	172.0
779.268310546875	136.0
779.3992919921875	11640.0
779.6507568359375	140.0
779.7108764648438	152.0
780.2271118164062	176.0
780.404052734375	5648.0
780.5469360351562	140.0
780.7968139648438	144.0
781.2758178710938	148.0
781.4053955078125	1664.0
781.6167602539062	100.0
782.4022827148438	508.0
782.516845703125	212.0
783.3118896484375	136.0
783.3893432617188	108.0
784.229248046875	140.0
784.3467407226562	96.0
784.6116333007812	156.0
784.8425903320312	132.0
785.4244384765625	116.0
1133.868408203125	160.0
1512.9649658203125	152.0
1634.9761962890625	180.0
1762.1361083984375	160.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079272
PEPMASS=472.212891
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=33.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME="1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-Alpha,Alpha-dimethyl-5-(1-methylethyl)- [CAS]" [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c2c1
INCHI=InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
INCHIAUX=QAOAOVKBIIKRNL-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079272
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079272
SCANS=3828
45.253231048583984	140.0
46.694461822509766	164.0
48.331085205078125	308.0
48.60405349731445	172.0
48.9613151550293	144.0
50.8509407043457	204.0
51.12238693237305	224.0
51.53876495361328	140.0
51.994140625	192.0
52.994903564453125	184.0
53.867801666259766	148.0
54.50364685058594	164.0
54.54773712158203	156.0
57.667755126953125	156.0
59.9001579284668	160.0
63.376564025878906	204.0
64.55608367919922	140.0
64.75613403320312	144.0
65.10575866699219	200.0
72.59402465820312	152.0
73.0202865600586	196.0
73.49044799804688	168.0
74.99613189697266	164.0
77.37954711914062	192.0
77.44609069824219	244.0
77.86878967285156	156.0
79.7629165649414	168.0
80.70600128173828	152.0
82.13553619384766	172.0
82.58528900146484	176.0
82.84051513671875	140.0
83.07073211669922	176.0
83.2071533203125	228.0
83.2413330078125	288.0
83.42120361328125	192.0
85.04508972167969	148.0
85.18993377685547	172.0
85.41349029541016	168.0
85.48432159423828	140.0
87.34741973876953	144.0
88.00901794433594	156.0
89.03861999511719	140.0
89.6258544921875	176.0
91.99661254882812	272.0
94.80870819091797	180.0
95.87562561035156	180.0
96.65281677246094	160.0
98.30540466308594	160.0
98.35671997070312	164.0
99.53467559814453	188.0
99.70551300048828	180.0
100.99734497070312	120.0
101.55830383300781	144.0
102.80364990234375	148.0
106.71881103515625	140.0
107.5799789428711	172.0
109.7313461303711	148.0
110.8642578125	156.0
110.95648193359375	180.0
110.97325897216797	196.0
111.17253112792969	172.0
111.33627319335938	168.0
112.43731689453125	156.0
112.55130767822266	172.0
114.32344055175781	200.0
114.89874267578125	164.0
116.65908813476562	144.0
116.8698501586914	164.0
117.21221160888672	156.0
118.06272888183594	152.0
118.53680419921875	172.0
120.57589721679688	160.0
121.80506896972656	356.0
123.25249481201172	208.0
124.86410522460938	156.0
124.90191650390625	200.0
124.93305969238281	168.0
125.01625061035156	14484.0
125.08331298828125	196.0
126.018310546875	1208.0
126.21101379394531	220.0
126.8692398071289	164.0
126.99032592773438	148.0
127.01311492919922	3892.0
127.97008514404297	140.0
128.02145385742188	168.0
130.943359375	152.0
133.324951171875	180.0
134.5111083984375	152.0
136.46405029296875	156.0
136.66407775878906	176.0
137.15545654296875	200.0
137.9888458251953	164.0
138.3303985595703	180.0
138.84820556640625	148.0
140.30604553222656	184.0
141.01182556152344	144.0
141.1820526123047	176.0
144.0843048095703	172.0
147.0546875	184.0
150.57269287109375	188.0
150.67529296875	188.0
150.80479431152344	144.0
151.05419921875	156.0
151.72764587402344	164.0
151.9581756591797	140.0
153.14303588867188	140.0
154.75559997558594	180.0
154.9785614013672	176.0
155.06028747558594	152.0
155.2982940673828	148.0
156.08151245117188	104.0
157.09286499023438	152.0
158.05857849121094	140.0
159.82504272460938	200.0
160.02639770507812	212.0
160.11453247070312	220.0
160.822998046875	196.0
161.0282745361328	196.0
161.67218017578125	180.0
162.03829956054688	1888.0
163.0404510498047	428.0
164.03933715820312	192.0
164.16172790527344	168.0
164.9174041748047	176.0
165.04733276367188	324.0
166.09523010253906	168.0
168.0767822265625	320.0
168.13035583496094	148.0
168.3136444091797	156.0
169.08924865722656	760.0
170.09814453125	156.0
170.12596130371094	168.0
171.10585021972656	300.0
172.11305236816406	1152.0
173.11073303222656	468.0
174.03671264648438	456.0
174.1236114501953	180.0
174.15512084960938	140.0
175.04039001464844	212.0
178.43875122070312	180.0
178.58233642578125	164.0
179.96539306640625	140.0
181.511962890625	164.0
182.7501983642578	140.0
183.18902587890625	160.0
183.60140991210938	176.0
184.04664611816406	200.0
184.39512634277344	192.0
184.45188903808594	144.0
184.57354736328125	148.0
184.67359924316406	188.0
185.09959411621094	136.0
185.98770141601562	148.0
186.8708953857422	156.0
188.05142211914062	380.0
188.10939025878906	148.0
189.06259155273438	556.0
189.3412628173828	192.0
189.52479553222656	148.0
190.06874084472656	200.0
191.07879638671875	168.0
192.69715881347656	164.0
193.1975555419922	196.0
193.81341552734375	144.0
194.61099243164062	172.0
195.08883666992188	180.0
195.12220764160156	172.0
196.10760498046875	156.0
196.12991333007812	140.0
197.11990356445312	180.0
198.08758544921875	148.0
198.12510681152344	140.0
198.15591430664062	196.0
198.75872802734375	160.0
198.907470703125	176.0
198.98046875	172.0
201.05938720703125	376.0
202.06890869140625	1928.0
203.0751190185547	1804.0
203.12037658691406	172.0
203.31898498535156	172.0
203.91937255859375	168.0
204.01231384277344	300.0
204.0513916015625	104.0
204.08486938476562	57684.0
204.2451934814453	196.0
204.2725830078125	132.0
204.33792114257812	108.0
204.39901733398438	124.0
205.08685302734375	6872.0
205.1934814453125	180.0
205.2496795654297	152.0
205.43484497070312	104.0
206.08160400390625	1744.0
206.35321044921875	116.0
206.4232177734375	104.0
206.5658416748047	136.0
206.62216186523438	128.0
207.09442138671875	192.0
207.18434143066406	168.0
209.3914337158203	140.0
210.12901306152344	164.0
210.6576690673828	176.0
211.13671875	2328.0
211.3486328125	180.0
211.75970458984375	212.0
212.08999633789062	212.0
212.14080810546875	784.0
212.51339721679688	168.0
213.15000915527344	464.0
214.15972900390625	132.0
216.08480834960938	1092.0
216.30194091796875	188.0
216.3253631591797	156.0
217.08883666992188	308.0
217.24256896972656	156.0
218.0382843017578	164.0
218.09677124023438	368.0
218.60585021972656	176.0
219.1063995361328	156.0
219.46595764160156	152.0
220.0765380859375	324.0
220.1062469482422	184.0
222.18991088867188	160.0
223.18487548828125	208.0
224.143310546875	180.0
224.677001953125	208.0
224.95751953125	204.0
225.3786163330078	140.0
226.12989807128906	304.0
226.15614318847656	148.0
226.39865112304688	140.0
226.75216674804688	196.0
227.12994384765625	140.0
228.1392059326172	144.0
229.30979919433594	140.0
230.06153869628906	656.0
230.09864807128906	260.0
230.52297973632812	140.0
231.0708770751953	588.0
231.1044921875	232.0
231.3101043701172	156.0
231.4818878173828	168.0
231.6424102783203	228.0
232.06944274902344	144.0
232.35784912109375	148.0
232.676513671875	160.0
232.8343963623047	196.0
232.91641235351562	168.0
235.06275939941406	200.0
239.1360321044922	116.0
240.15550231933594	208.0
241.6969757080078	164.0
241.96624755859375	200.0
243.12551879882812	156.0
243.54464721679688	148.0
244.08213806152344	424.0
244.11634826660156	2136.0
244.309326171875	172.0
244.66409301757812	156.0
245.08665466308594	148.0
245.12242126464844	4172.0
246.1284637451172	796.0
247.1219024658203	280.0
247.56161499023438	212.0
248.0711669921875	956.0
248.12875366210938	148.0
248.16636657714844	156.0
249.08123779296875	1988.0
250.0815887451172	380.0
250.82162475585938	128.0
251.07406616210938	148.0
252.0730743408203	156.0
252.32228088378906	192.0
253.06529235839844	132.0
253.14492797851562	216.0
254.0715789794922	1504.0
254.15292358398438	152.0
255.07611083984375	468.0
255.39505004882812	228.0
255.74822998046875	160.0
256.0729675292969	292.0
256.12713623046875	304.0
256.3278503417969	316.0
257.0740966796875	272.0
257.1429748535156	132.0
257.49542236328125	172.0
258.0906066894531	740.0
258.14801025390625	612.0
258.3104553222656	148.0
259.01788330078125	148.0
259.0916442871094	176.0
259.1565246582031	412.0
259.8577880859375	192.0
260.1112976074219	208.0
260.1498107910156	772.0
260.67816162109375	144.0
261.0848388671875	144.0
261.1498718261719	660.0
261.1909484863281	148.0
261.7283935546875	272.0
262.0945129394531	144.0
262.1532897949219	556.0
263.0921936035156	200.0
263.2503967285156	164.0
263.3052978515625	208.0
268.09442138671875	128.0
270.09918212890625	200.0
271.7493896484375	152.0
272.0301208496094	276.0
272.11138916015625	2832.0
272.56512451171875	108.0
272.9252624511719	160.0
273.0205993652344	152.0
273.0445251464844	540.0
273.11785888671875	6240.0
273.2015075683594	200.0
273.6523742675781	160.0
273.7116394042969	204.0
274.12078857421875	1168.0
274.94122314453125	144.0
275.03363037109375	180.0
275.1221008300781	344.0
275.343994140625	168.0
275.8329772949219	180.0
275.85943603515625	148.0
276.10211181640625	440.0
277.1004638671875	160.0
279.73394775390625	268.0
280.0890197753906	240.0
282.0722961425781	148.0
282.1029052734375	152.0
283.0809020996094	152.0
284.04791259765625	200.0
284.108154296875	276.0
284.13848876953125	160.0
286.04559326171875	5096.0
286.1251220703125	588.0
286.57598876953125	220.0
287.04815673828125	900.0
287.13031005859375	180.0
288.040771484375	2024.0
288.1288757324219	424.0
288.89874267578125	148.0
289.0456848144531	532.0
289.11865234375	140.0
290.0350341796875	168.0
290.07379150390625	140.0
290.1211853027344	10744.0
290.3314514160156	184.0
290.7385559082031	272.0
290.9134216308594	108.0
290.9761657714844	144.0
291.0599365234375	148.0
291.1291809082031	24620.0
291.2354736328125	152.0
291.73193359375	120.0
292.1322021484375	4524.0
293.0185546875	120.0
293.12640380859375	1272.0
293.2044982910156	112.0
294.0346374511719	100.0
294.104736328125	600.0
294.1694030761719	204.0
294.39373779296875	116.0
294.9327697753906	100.0
295.11163330078125	760.0
295.2481689453125	108.0
295.5141906738281	224.0
296.11968994140625	6912.0
296.3444519042969	160.0
296.94091796875	164.0
297.1232604980469	1884.0
297.2119140625	208.0
297.3148498535156	172.0
297.498779296875	96.0
297.6444091796875	156.0
298.0495910644531	120.0
298.1168212890625	1876.0
298.7545166015625	156.0
299.1202087402344	676.0
300.0614013671875	128.0
300.9222412109375	148.0
304.1281433105469	216.0
304.77374267578125	140.0
305.01007080078125	140.0
305.138671875	144.0
308.5798034667969	164.0
308.8000793457031	160.0
309.6890869140625	180.0
310.103515625	112.0
310.1457824707031	140.0
311.14080810546875	176.0
312.099609375	156.0
312.1094055175781	140.0
313.08160400390625	104.0
313.832275390625	144.0
314.07763671875	444.0
314.41925048828125	160.0
315.0758056640625	180.0
316.07611083984375	152.0
318.7878723144531	188.0
319.29010009765625	256.0
320.7381896972656	140.0
322.0986328125	132.0
322.1312561035156	400.0
323.1059875488281	172.0
324.1251220703125	140.0
324.57061767578125	184.0
324.8647155761719	160.0
325.07537841796875	136.0
325.1374206542969	144.0
325.3815002441406	160.0
325.424560546875	160.0
325.8519592285156	252.0
326.0712585449219	288.0
327.0814208984375	140.0
328.0924987792969	10360.0
328.9346008300781	152.0
329.0942687988281	2612.0
329.1639709472656	116.0
329.5122985839844	148.0
329.9424743652344	156.0
330.08935546875	2964.0
331.09454345703125	1048.0
331.2370300292969	108.0
332.08251953125	160.0
332.9281005859375	152.0
334.793701171875	160.0
335.1397399902344	268.0
335.60626220703125	156.0
336.14410400390625	176.0
337.1602478027344	920.0
338.16107177734375	228.0
338.778564453125	156.0
339.16180419921875	296.0
339.739013671875	160.0
340.1625671386719	152.0
341.118408203125	404.0
341.1524353027344	168.0
341.2668151855469	164.0
342.11627197265625	152.0
344.05206298828125	144.0
346.183349609375	552.0
346.4410400390625	176.0
347.1917724609375	6600.0
347.27972412109375	200.0
348.13330078125	172.0
348.1926574707031	1200.0
349.1897888183594	480.0
349.98040771484375	172.0
350.12908935546875	440.0
350.1911315917969	204.0
351.1355895996094	152.0
352.13409423828125	492.0
354.1517639160156	164.0
354.5414123535156	172.0
354.61260986328125	140.0
354.96124267578125	160.0
355.1155700683594	152.0
355.9743957519531	168.0
356.0882263183594	1048.0
356.4627380371094	188.0
356.9626770019531	156.0
357.1097106933594	304.0
358.08111572265625	464.0
360.1585693359375	144.0
363.4407653808594	160.0
365.08935546875	140.0
365.14935302734375	340.0
366.163818359375	120.0
367.1535339355469	172.0
368.13812255859375	300.0
368.17626953125	152.0
369.14300537109375	412.0
369.3150939941406	156.0
369.9688720703125	136.0
370.1392517089844	1620.0
370.6947326660156	132.0
371.1412658691406	348.0
372.1355895996094	676.0
372.28912353515625	220.0
372.5964050292969	176.0
372.89227294921875	140.0
373.0871276855469	180.0
373.13653564453125	180.0
373.9874267578125	232.0
374.0975341796875	7112.0
374.1693420410156	140.0
375.0999755859375	1472.0
375.4640197753906	148.0
375.5643005371094	168.0
376.0941467285156	2440.0
377.1002502441406	648.0
378.0523681640625	184.0
378.09149169921875	108.0
380.123291015625	152.0
381.1641540527344	160.0
382.15814208984375	528.0
383.16436767578125	4932.0
383.63372802734375	140.0
384.1644592285156	1784.0
385.1603088378906	2132.0
385.2883605957031	140.0
386.1627502441406	352.0
387.5262145996094	144.0
388.1847229003906	204.0
388.8582458496094	124.0
391.9071044921875	180.0
394.1087341308594	168.0
397.4029235839844	152.0
397.6291198730469	188.0
398.1334228515625	7780.0
398.236572265625	164.0
398.3451232910156	120.0
398.8061828613281	132.0
398.8564147949219	164.0
399.135986328125	2508.0
399.5005798339844	152.0
400.13165283203125	3300.0
401.1343078613281	648.0
402.1207580566406	232.0
402.66143798828125	240.0
403.69647216796875	144.0
405.2519226074219	112.0
408.8675231933594	180.0
411.1202697753906	144.0
412.69158935546875	200.0
413.2670593261719	112.0
413.3417663574219	96.0
414.1295471191406	2304.0
414.308349609375	116.0
414.4104309082031	176.0
414.703369140625	116.0
415.0294494628906	324.0
415.1337585449219	1560.0
415.2467956542969	168.0
415.2877197265625	132.0
415.4754638671875	124.0
415.5179748535156	136.0
415.6005554199219	132.0
415.6752624511719	136.0
415.734375	236.0
415.8026123046875	148.0
415.8628234863281	236.0
415.92254638671875	180.0
415.9547119140625	164.0
415.9814758300781	396.0
416.0171203613281	296.0
416.0685119628906	304.0
416.1465759277344	128180.0
416.298583984375	188.0
416.34332275390625	128.0
416.4158020019531	168.0
416.7073669433594	108.0
416.75250244140625	316.0
416.814208984375	352.0
416.87628173828125	124.0
417.04168701171875	144.0
417.148681640625	39280.0
417.2314147949219	332.0
417.34735107421875	128.0
417.5244140625	112.0
417.7317810058594	180.0
417.8091125488281	172.0
417.85687255859375	136.0
417.9068603515625	120.0
417.9852600097656	164.0
418.1426086425781	52492.0
418.2453918457031	340.0
418.3194885253906	168.0
418.4065246582031	132.0
418.5943603515625	152.0
418.7442932128906	100.0
418.77783203125	120.0
418.945068359375	144.0
418.9833679199219	112.0
419.14471435546875	9768.0
419.2542724609375	212.0
419.38116455078125	160.0
419.4486999511719	224.0
419.5625	108.0
419.689208984375	240.0
419.75384521484375	156.0
419.8040771484375	156.0
419.8422546386719	124.0
420.0137939453125	172.0
420.1439514160156	1516.0
420.43280029296875	152.0
420.5661926269531	244.0
421.0009460449219	120.0
421.4261779785156	120.0
421.6169128417969	112.0
421.70184326171875	140.0
421.7872619628906	144.0
422.0420227050781	200.0
426.6689758300781	128.0
429.15478515625	152.0
429.96343994140625	108.0
430.15948486328125	956.0
431.16754150390625	336.0
432.1585388183594	332.0
433.1634826660156	172.0
433.2108459472656	100.0
437.0534973144531	148.0
445.3055725097656	148.0
452.69000244140625	240.0
466.41094970703125	156.0
469.2995910644531	160.0
469.4591064453125	156.0
470.2417907714844	124.0
470.4255676269531	152.0
471.2080993652344	160.0
471.3314208984375	1276.0
471.6023864746094	144.0
471.67828369140625	152.0
471.8511962890625	284.0
471.9734191894531	252.0
472.07171630859375	168.0
472.13275146484375	104.0
472.2073974609375	19160.0
473.2099304199219	7660.0
473.3524475097656	136.0
473.5594787597656	200.0
473.80126953125	120.0
474.1194763183594	372.0
474.2055358886719	8156.0
474.3221740722656	204.0
474.3559265136719	144.0
474.52862548828125	112.0
474.7953796386719	140.0
474.8934020996094	172.0
475.2050476074219	1992.0
475.3268127441406	244.0
475.4018249511719	112.0
475.64849853515625	112.0
476.2078552246094	260.0
476.81695556640625	136.0
477.75689697265625	96.0
603.8278198242188	160.0
624.70751953125	188.0
742.7296752929688	112.0
925.6041259765625	132.0
1244.73486328125	196.0
1387.005126953125	184.0
1441.54443359375	192.0
1493.0567626953125	160.0
1536.6990966796875	148.0
1578.098876953125	148.0
1672.7318115234375	168.0
1682.7196044921875	160.0
1709.1114501953125	160.0
1750.108154296875	164.0
1750.599365234375	164.0
1771.0106201171875	140.0
1850.0186767578125	200.0
1871.9383544921875	192.0
1872.64453125	144.0
1925.2713623046875	172.0
1950.9176025390625	160.0
1987.66796875	168.0
1991.6629638671875	204.0
1992.8533935546875	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079273
PEPMASS=877.468506
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=42.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=RIFAPENTINE [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c4c(O)c(C=NN5CCN(CC5)C6CCCC6)c(NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)C)c(O)c4c(O)c3C
INCHI=InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1
INCHIAUX=WDZCUPBHRAEYDL-HJTBMZGUSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079273
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079273
SCANS=1870
45.142208099365234	156.0
45.42078399658203	212.0
47.69123840332031	192.0
47.9858283996582	168.0
48.28133010864258	200.0
48.88200759887695	220.0
50.7772102355957	204.0
51.084014892578125	188.0
51.71614074707031	172.0
52.0875129699707	196.0
52.26002883911133	140.0
52.960182189941406	164.0
53.25316619873047	156.0
54.41997146606445	152.0
56.48146057128906	148.0
57.13851547241211	220.0
61.24161911010742	144.0
61.66756820678711	188.0
62.32575607299805	144.0
63.53040313720703	152.0
63.749515533447266	176.0
63.82136917114258	176.0
64.44808197021484	192.0
66.59652709960938	180.0
67.15316772460938	140.0
68.1895523071289	160.0
73.21266174316406	140.0
74.76713562011719	168.0
75.99921417236328	140.0
77.47769165039062	156.0
78.76891326904297	196.0
80.49344635009766	156.0
80.6506576538086	156.0
82.45699310302734	212.0
82.8641357421875	164.0
83.87818145751953	144.0
83.92011260986328	152.0
84.0447769165039	160.0
85.1387939453125	200.0
86.31078338623047	200.0
86.40141296386719	204.0
91.05531311035156	400.0
92.05970001220703	160.0
93.06883239746094	124.0
93.68619537353516	172.0
94.49703979492188	164.0
95.04975128173828	468.0
95.0862808227539	884.0
96.05117797851562	164.0
96.09214782714844	180.0
96.27953338623047	212.0
96.67247009277344	156.0
97.03287506103516	184.0
97.06523132324219	324.0
98.09867858886719	196.0
99.04689025878906	148.0
99.11094665527344	120.0
99.97208404541016	176.0
100.067626953125	144.0
105.07044982910156	548.0
106.0730209350586	208.0
107.08602142333984	2380.0
107.27064514160156	160.0
107.41911315917969	156.0
107.98092651367188	184.0
108.07194519042969	176.0
108.0936279296875	284.0
108.50895690917969	160.0
108.71637725830078	180.0
108.89907836914062	252.0
109.0299072265625	148.0
109.06534576416016	1112.0
109.1008071899414	608.0
110.09242248535156	188.0
111.07958221435547	396.0
111.11177825927734	244.0
112.08103942871094	144.0
112.10375213623047	180.0
113.05907440185547	172.0
113.11588287353516	140.0
115.05565643310547	292.0
117.07229614257812	156.0
117.27571868896484	180.0
118.29000854492188	164.0
119.08737182617188	284.0
120.8208999633789	180.0
121.06431579589844	108.0
121.10064697265625	1072.0
121.958984375	208.0
122.07550048828125	148.0
122.10720825195312	404.0
123.08074188232422	3372.0
123.11493682861328	324.0
123.67057037353516	184.0
124.08382415771484	188.0
124.11091613769531	460.0
125.06000518798828	156.0
125.09515380859375	832.0
125.23590087890625	188.0
125.61036682128906	184.0
125.7754898071289	152.0
127.50906372070312	168.0
127.56525421142578	164.0
128.06253051757812	240.0
128.45472717285156	148.0
129.06903076171875	428.0
130.08322143554688	128.0
130.4770050048828	140.0
131.08883666992188	348.0
133.0651092529297	292.0
133.10101318359375	672.0
134.10780334472656	200.0
135.0472869873047	156.0
135.07998657226562	1044.0
135.1173858642578	800.0
136.08224487304688	456.0
136.1133270263672	164.0
136.78753662109375	216.0
137.09609985351562	1136.0
137.13050842285156	468.0
138.09780883789062	248.0
138.11717224121094	136.0
139.07533264160156	492.0
139.11111450195312	240.0
139.7080078125	144.0
140.0850830078125	176.0
140.11293029785156	148.0
140.75445556640625	176.0
141.0923309326172	256.0
142.0835418701172	184.0
143.08578491210938	340.0
144.10098266601562	180.0
144.43104553222656	204.0
145.10037231445312	1648.0
145.16868591308594	156.0
146.10678100585938	328.0
146.19444274902344	188.0
147.08067321777344	452.0
147.11817932128906	1920.0
148.08709716796875	176.0
148.1221923828125	312.0
148.283447265625	204.0
148.88026428222656	168.0
149.0624542236328	172.0
149.09799194335938	516.0
149.13304138183594	416.0
149.15560913085938	156.0
150.1002197265625	304.0
151.0249786376953	152.0
151.07601928710938	12400.0
151.12066650390625	1024.0
152.07945251464844	1116.0
152.13108825683594	1300.0
152.31918334960938	172.0
153.06436157226562	196.0
153.09152221679688	1720.0
153.13954162597656	1956.0
153.18406677246094	100.0
154.09376525878906	568.0
154.14718627929688	256.0
155.085205078125	168.0
155.1070098876953	176.0
155.1544952392578	3052.0
156.09657287597656	316.0
156.1573486328125	184.0
157.1001434326172	820.0
157.84860229492188	172.0
158.103759765625	148.0
159.0829620361328	256.0
159.11663818359375	1112.0
160.0877685546875	164.0
160.11546325683594	256.0
161.09652709960938	2228.0
161.1303253173828	256.0
162.1011199951172	676.0
162.637939453125	140.0
163.06463623046875	148.0
163.11203002929688	7660.0
164.0802764892578	180.0
164.11387634277344	824.0
165.08660888671875	224.0
165.126220703125	408.0
165.15599060058594	188.0
166.13670349121094	212.0
167.08180236816406	196.0
167.103759765625	132.0
167.14869689941406	144.0
167.96539306640625	180.0
168.15234375	348.0
169.0994873046875	336.0
169.15296936035156	124.0
170.16505432128906	140.0
171.11563110351562	424.0
172.0877685546875	132.0
172.1228485107422	156.0
173.0970916748047	1500.0
173.13172912597656	972.0
174.1007843017578	904.0
174.1375274658203	148.0
174.5994415283203	264.0
175.0689697265625	144.0
175.1121368408203	1420.0
175.1484832763672	716.0
176.11746215820312	152.0
176.14659118652344	144.0
177.09161376953125	1228.0
177.12686157226562	1252.0
178.1260223388672	168.0
179.1078338623047	2076.0
180.11044311523438	908.0
181.12020874023438	420.0
182.12745666503906	152.0
183.11964416503906	728.0
184.12571716308594	164.0
185.09503173828125	416.0
185.13294982910156	588.0
186.10145568847656	444.0
186.13235473632812	384.0
187.07550048828125	132.0
187.11044311523438	396.0
187.14605712890625	104.0
188.15737915039062	292.0
189.0938720703125	268.0
189.12655639648438	856.0
189.15505981445312	176.0
190.10403442382812	180.0
190.12550354003906	168.0
190.61453247070312	96.0
191.1079559326172	4036.0
191.140380859375	408.0
192.11126708984375	836.0
193.12603759765625	1352.0
194.12217712402344	188.0
195.1156463623047	184.0
195.1362762451172	144.0
196.1185302734375	168.0
197.13710021972656	160.0
197.1599578857422	176.0
198.093505859375	140.0
199.11087036132812	684.0
199.14671325683594	312.0
200.1234588623047	164.0
200.1546173095703	288.0
201.07772827148438	156.0
201.12681579589844	1208.0
201.1640625	144.0
202.08653259277344	144.0
202.1346893310547	408.0
203.1090850830078	176.0
203.14376831054688	860.0
203.20281982421875	148.0
204.14576721191406	300.0
205.13380432128906	196.0
207.1540985107422	180.0
209.12364196777344	664.0
210.11569213867188	308.0
211.12469482421875	136.0
211.1333465576172	236.0
211.1432647705078	296.0
212.1517791748047	144.0
213.09251403808594	192.0
213.1289825439453	604.0
213.15817260742188	168.0
213.93763732910156	184.0
214.1328125	156.0
215.139892578125	176.0
216.14923095703125	276.0
217.11985778808594	848.0
217.16065979003906	472.0
219.10069274902344	144.0
219.1382293701172	1192.0
220.1406707763672	428.0
221.12490844726562	388.0
221.15992736816406	240.0
221.5912322998047	152.0
222.15907287597656	200.0
223.11093139648438	252.0
223.1487274169922	300.0
223.50927734375	152.0
224.12265014648438	160.0
225.16018676757812	156.0
226.13211059570312	164.0
226.17715454101562	160.0
227.1011505126953	156.0
227.1419219970703	332.0
227.17449951171875	188.0
227.45120239257812	164.0
229.12228393554688	264.0
229.16085815429688	112.0
231.13870239257812	724.0
231.1714630126953	156.0
232.14125061035156	124.0
233.14346313476562	192.0
235.13563537597656	152.0
236.11688232421875	184.0
237.12374877929688	156.0
237.17041015625	124.0
237.36639404296875	156.0
241.1244659423828	352.0
241.1688995361328	256.0
242.171142578125	124.0
243.17520141601562	260.0
245.1159210205078	192.0
245.15379333496094	208.0
246.14402770996094	240.0
247.16452026367188	160.0
249.1215362548828	128.0
249.15309143066406	336.0
250.16152954101562	156.0
250.20559692382812	140.0
251.18235778808594	372.0
252.22134399414062	188.0
253.19265747070312	152.0
254.16050720214844	344.0
255.1383514404297	188.0
255.1695098876953	384.0
257.1518859863281	236.0
258.16357421875	184.0
259.1334533691406	148.0
259.17236328125	160.0
261.17218017578125	136.0
262.1667175292969	148.0
264.1493835449219	292.0
267.126953125	156.0
267.1824035644531	148.0
269.186767578125	656.0
270.0723876953125	160.0
270.1929626464844	160.0
271.16448974609375	416.0
273.1883239746094	148.0
274.2225036621094	152.0
277.17425537109375	156.0
278.1718444824219	144.0
279.1751403808594	344.0
281.1707458496094	156.0
286.0643615722656	312.0
287.20556640625	236.0
289.1795349121094	260.0
291.5300598144531	184.0
296.60516357421875	140.0
297.1855163574219	1368.0
297.2464904785156	148.0
298.1886901855469	516.0
299.0677795410156	808.0
300.06304931640625	248.0
301.0770263671875	204.0
305.21197509765625	164.0
312.1986999511719	148.0
314.1083679199219	152.0
315.1952819824219	564.0
316.19903564453125	172.0
318.3192443847656	168.0
319.8515319824219	160.0
333.20648193359375	108.0
340.09979248046875	116.0
351.095458984375	160.0
357.19921875	104.0
361.0962219238281	140.0
366.1117248535156	168.0
375.2126770019531	256.0
376.1549987792969	140.0
377.0796813964844	296.0
378.0939636230469	120.0
390.2661437988281	204.0
402.134765625	144.0
404.1062316894531	104.0
405.10968017578125	228.0
406.1375732421875	148.0
408.1558532714844	140.0
420.11602783203125	168.0
433.15142822265625	260.0
434.1751708984375	460.0
435.1341247558594	148.0
436.18853759765625	272.0
437.19635009765625	184.0
438.1988525390625	176.0
449.1571960449219	156.0
450.19964599609375	140.0
451.13763427734375	144.0
451.1961975097656	372.0
451.2629699707031	316.0
452.2095031738281	128.0
453.1097412109375	172.0
453.2129821777344	3492.0
453.3115539550781	120.0
454.2189025878906	884.0
455.2254638671875	128.0
457.1221618652344	152.0
488.26043701171875	160.0
489.1844177246094	144.0
491.2114562988281	144.0
495.1717529296875	140.0
496.091796875	112.0
505.23602294921875	144.0
506.3595275878906	144.0
508.37689208984375	188.0
515.4512329101562	144.0
530.261474609375	116.0
560.2561645507812	144.0
573.2762451171875	200.0
598.24267578125	128.0
609.7360229492188	140.0
612.2449951171875	140.0
613.2514038085938	116.0
614.2506713867188	144.0
616.8829345703125	140.0
617.46142578125	180.0
622.3275756835938	156.0
631.271728515625	140.0
632.292236328125	192.0
649.640625	160.0
658.2470703125	140.0
659.3453979492188	208.0
674.2597045898438	192.0
676.2552490234375	132.0
696.0404663085938	168.0
708.322509765625	140.0
716.6961059570312	152.0
742.8956298828125	156.0
760.948974609375	140.0
761.8221435546875	172.0
763.9000854492188	148.0
765.375	140.0
766.7080688476562	204.0
774.5924072265625	204.0
776.4381103515625	144.0
785.4256591796875	148.0
785.7328491210938	144.0
786.4066772460938	128.0
788.70361328125	140.0
790.896240234375	184.0
793.3721313476562	172.0
794.1964111328125	156.0
802.756103515625	168.0
809.9676513671875	180.0
811.2653198242188	140.0
815.960205078125	160.0
817.4335327148438	212.0
818.4583740234375	156.0
825.4570922851562	156.0
827.3797607421875	104.0
830.5277099609375	160.0
831.2964477539062	156.0
838.97998046875	100.0
840.7398681640625	144.0
841.23046875	148.0
841.4573364257812	108.0
841.7255249023438	112.0
842.1490478515625	136.0
842.8793334960938	128.0
842.97216796875	148.0
843.09765625	160.0
843.42626953125	1012.0
843.7973022460938	112.0
843.997802734375	172.0
844.2314453125	176.0
844.4216918945312	756.0
844.5130615234375	116.0
844.816162109375	140.0
844.9347534179688	280.0
845.10107421875	160.0
845.2708740234375	256.0
845.33349609375	96.0
845.4343872070312	44124.0
845.60400390625	272.0
845.7567749023438	124.0
846.0794067382812	192.0
846.2544555664062	232.0
846.4371337890625	29668.0
846.5897216796875	352.0
846.8389282226562	248.0
846.8925170898438	156.0
846.9419555664062	136.0
847.0325927734375	184.0
847.4364013671875	6340.0
847.6383056640625	96.0
847.7681274414062	100.0
847.837890625	148.0
848.18212890625	108.0
848.4453125	1232.0
848.6912231445312	136.0
848.8359375	124.0
849.078857421875	120.0
849.4198608398438	188.0
850.4331665039062	280.0
850.5026245117188	116.0
850.6165161132812	176.0
850.6619262695312	136.0
850.760986328125	144.0
850.8286743164062	292.0
850.958984375	108.0
851.180419921875	116.0
851.335693359375	116.0
851.6079711914062	132.0
851.8623657226562	168.0
860.3438110351562	132.0
867.8003540039062	108.0
869.1300659179688	140.0
869.266845703125	116.0
869.4918212890625	136.0
872.4110107421875	112.0
874.291259765625	156.0
874.4330444335938	124.0
874.545654296875	104.0
875.08935546875	148.0
875.4458618164062	1296.0
875.6415405273438	144.0
875.7088012695312	104.0
876.2662963867188	120.0
876.31640625	120.0
876.451416015625	844.0
877.1541748046875	140.0
877.2509155273438	176.0
877.2885131835938	160.0
877.4585571289062	27216.0
877.6151123046875	208.0
877.8295288085938	156.0
877.9595336914062	192.0
878.4652099609375	11616.0
878.6993408203125	260.0
878.7646484375	204.0
878.8643798828125	176.0
879.0722045898438	236.0
879.365478515625	108.0
879.4669799804688	5244.0
879.619384765625	240.0
879.7755126953125	116.0
879.9464721679688	192.0
880.4659423828125	1224.0
880.576416015625	224.0
881.0210571289062	112.0
881.3131713867188	120.0
881.4693603515625	320.0
881.659423828125	200.0
881.7546997070312	120.0
882.1630859375	96.0
882.364013671875	116.0
882.443115234375	144.0
882.8211059570312	104.0
882.9043579101562	140.0
883.3444213867188	108.0
883.4088745117188	108.0
883.7247314453125	128.0
883.9573364257812	144.0
884.8214721679688	152.0
885.2450561523438	104.0
900.508056640625	144.0
900.968017578125	156.0
1008.4138793945312	156.0
1031.6722412109375	152.0
1062.4815673828125	140.0
1081.934814453125	140.0
1136.9268798828125	176.0
1176.25146484375	180.0
1178.8671875	144.0
1232.9810791015625	204.0
1281.26806640625	140.0
1301.8175048828125	188.0
1326.0794677734375	228.0
1337.2352294921875	160.0
1339.485107421875	172.0
1363.73388671875	152.0
1371.19677734375	212.0
1382.148193359375	188.0
1405.12158203125	176.0
1412.173095703125	152.0
1437.234130859375	160.0
1453.638916015625	200.0
1459.1912841796875	148.0
1504.5311279296875	196.0
1521.8037109375	248.0
1549.3031005859375	152.0
1560.4080810546875	140.0
1562.7833251953125	184.0
1580.955810546875	160.0
1589.9266357421875	204.0
1614.7435302734375	156.0
1619.7379150390625	164.0
1644.9468994140625	144.0
1648.5328369140625	192.0
1657.717529296875	152.0
1683.3824462890625	164.0
1729.480224609375	152.0
1736.5062255859375	144.0
1764.025390625	176.0
1787.357421875	196.0
1788.8975830078125	168.0
1815.258056640625	212.0
1818.609130859375	148.0
1828.9957275390625	144.0
1840.88037109375	184.0
1854.60302734375	220.0
1889.4268798828125	152.0
1908.0467529296875	152.0
1910.4383544921875	144.0
1915.1387939453125	192.0
1917.8887939453125	228.0
1926.1552734375	148.0
1931.880859375	208.0
1942.769775390625	212.0
1944.0069580078125	144.0
1957.2451171875	152.0
1985.212646484375	140.0
1986.614013671875	204.0
1992.0999755859375	140.0
1992.3309326171875	140.0
1992.9794921875	192.0
1994.3392333984375	164.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079274
PEPMASS=786.369141
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=40.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=RIFAXIMIN [M+H]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c4c5nc6cc(C)ccn6c5c(NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)C)c(O)c4c(O)c3C
INCHI=InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1
INCHIAUX=NZCRJKRKKOLAOJ-IIBMFGDOSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079274
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079274
SCANS=1650
46.33615493774414	204.0
46.78160095214844	172.0
47.96240997314453	144.0
48.354671478271484	204.0
49.005950927734375	232.0
49.688236236572266	152.0
49.7584114074707	172.0
49.81599044799805	188.0
50.66241455078125	140.0
51.613155364990234	200.0
51.97124481201172	200.0
52.55397415161133	192.0
52.8574104309082	164.0
52.925018310546875	164.0
53.802154541015625	160.0
54.09745407104492	140.0
54.73906326293945	164.0
55.186153411865234	156.0
57.876590728759766	216.0
58.11152267456055	152.0
61.28681945800781	156.0
65.58206176757812	144.0
65.64816284179688	240.0
67.03581237792969	176.0
67.16297912597656	156.0
68.29315185546875	160.0
71.72003936767578	176.0
72.2874984741211	144.0
73.25186157226562	152.0
74.09063720703125	160.0
74.71038055419922	220.0
75.33961486816406	176.0
77.32012939453125	152.0
79.1810531616211	140.0
85.5267562866211	168.0
86.82376098632812	144.0
87.3084716796875	176.0
88.5046157836914	172.0
91.05448913574219	320.0
91.0940933227539	212.0
92.75423431396484	148.0
92.9786376953125	224.0
93.07221221923828	376.0
93.63421630859375	224.0
94.07962799072266	184.0
95.01629638671875	148.0
95.05030822753906	364.0
95.0851821899414	1580.0
95.15215301513672	244.0
95.79390716552734	212.0
96.09060668945312	164.0
96.68620300292969	184.0
96.96822357177734	248.0
97.03682708740234	176.0
97.06629943847656	136.0
97.53349304199219	164.0
98.04126739501953	140.0
99.71755981445312	140.0
103.05404663085938	196.0
104.326904296875	156.0
104.69314575195312	144.0
105.070556640625	736.0
105.25800323486328	212.0
107.05022430419922	188.0
107.08563232421875	2420.0
107.19854736328125	144.0
108.06004333496094	192.0
108.08893585205078	572.0
109.06510925292969	1180.0
109.10284423828125	756.0
109.65852355957031	188.0
109.77317810058594	220.0
110.01520538330078	140.0
110.06830596923828	184.0
110.10762786865234	212.0
110.79524993896484	208.0
111.07887268066406	948.0
111.1097183227539	220.0
112.04946899414062	156.0
112.09161376953125	172.0
113.00164794921875	148.0
113.06330871582031	364.0
113.7136459350586	168.0
113.83252716064453	172.0
115.06022644042969	192.0
117.07193756103516	388.0
119.08543395996094	804.0
120.09027862548828	176.0
120.2680892944336	160.0
120.73345184326172	200.0
120.80781555175781	168.0
120.95880889892578	168.0
121.03099822998047	168.0
121.06462860107422	636.0
121.10147094726562	912.0
121.4167251586914	248.0
121.70419311523438	164.0
122.06404876708984	176.0
122.0765380859375	248.0
122.10633087158203	204.0
123.08213806152344	4988.0
123.11466979980469	356.0
124.08209991455078	468.0
124.95767974853516	164.0
125.05782318115234	156.0
125.0969009399414	552.0
127.04206848144531	192.0
127.07518005371094	200.0
127.81269073486328	180.0
128.05982971191406	496.0
128.66464233398438	160.0
129.08831787109375	132.0
130.07949829101562	176.0
130.8660888671875	176.0
131.06198120117188	140.0
131.0866241455078	296.0
131.5135040283203	172.0
133.06639099121094	144.0
133.10093688964844	1692.0
133.97396850585938	148.0
134.10655212402344	280.0
135.02420043945312	148.0
135.0519561767578	152.0
135.0800323486328	2632.0
135.11624145507812	1892.0
136.08468627929688	732.0
136.1214599609375	224.0
136.1458740234375	140.0
137.06459045410156	344.0
137.09661865234375	976.0
137.13394165039062	340.0
137.70391845703125	164.0
138.13478088378906	264.0
139.07496643066406	728.0
139.11741638183594	164.0
139.3695068359375	156.0
139.5034637451172	192.0
140.59634399414062	196.0
142.0870361328125	152.0
143.0847930908203	472.0
144.09642028808594	144.0
144.12269592285156	140.0
144.37847900390625	204.0
145.06564331054688	164.0
145.10159301757812	2780.0
146.07081604003906	284.0
146.10650634765625	396.0
147.08041381835938	288.0
147.11741638183594	2032.0
147.3180694580078	172.0
147.66612243652344	176.0
148.08399963378906	152.0
148.1219482421875	472.0
148.76133728027344	172.0
148.94345092773438	160.0
149.06153869628906	388.0
149.09713745117188	844.0
149.13328552246094	428.0
149.5294189453125	200.0
150.05801391601562	204.0
150.09701538085938	144.0
150.184814453125	208.0
150.8587646484375	140.0
151.02992248535156	148.0
151.07586669921875	12408.0
151.11355590820312	564.0
152.07955932617188	1616.0
152.1169891357422	156.0
152.2892608642578	100.0
153.09136962890625	2552.0
153.12759399414062	280.0
153.2540740966797	168.0
154.09461975097656	292.0
154.14376831054688	204.0
154.6245880126953	144.0
155.0813446044922	256.0
155.10220336914062	304.0
156.0902862548828	344.0
157.1018829345703	708.0
158.0672607421875	136.0
158.10964965820312	236.0
158.94078063964844	140.0
159.07933044433594	360.0
159.11647033691406	1256.0
160.08778381347656	276.0
160.1227264404297	164.0
160.57846069335938	148.0
161.06053161621094	140.0
161.09715270996094	2924.0
161.1318817138672	716.0
162.1014862060547	544.0
162.1459503173828	140.0
162.462890625	148.0
163.021484375	172.0
163.06781005859375	104.0
163.11221313476562	10484.0
163.2009735107422	124.0
163.3621826171875	188.0
164.11537170410156	1172.0
165.05908203125	184.0
165.0950469970703	184.0
165.1263427734375	1040.0
166.1276092529297	164.0
166.45472717285156	180.0
167.05099487304688	176.0
167.0844268798828	176.0
168.13314819335938	168.0
168.3577423095703	188.0
169.08335876464844	148.0
169.1082000732422	244.0
170.06646728515625	140.0
170.1107177734375	284.0
171.0813446044922	264.0
171.11575317382812	616.0
171.80990600585938	204.0
172.0186767578125	160.0
172.08551025390625	216.0
173.09666442871094	2156.0
173.13380432128906	1276.0
174.1000518798828	388.0
174.13360595703125	204.0
175.0731964111328	156.0
175.1126251220703	2112.0
175.1496124267578	496.0
176.07798767089844	160.0
176.1173553466797	820.0
176.15313720703125	168.0
177.08905029296875	1528.0
177.12826538085938	800.0
177.15980529785156	148.0
178.09085083007812	156.0
178.1284942626953	160.0
178.822021484375	148.0
179.10641479492188	2588.0
179.83213806152344	176.0
180.11239624023438	140.0
181.09494018554688	144.0
181.1204833984375	532.0
182.6588897705078	152.0
183.11602783203125	428.0
183.13877868652344	316.0
183.79315185546875	196.0
184.12103271484375	216.0
185.09860229492188	240.0
185.13320922851562	1072.0
186.10777282714844	192.0
186.1331024169922	144.0
187.10995483398438	476.0
187.1493377685547	728.0
188.15438842773438	280.0
189.08909606933594	340.0
189.12179565429688	240.0
190.09536743164062	296.0
190.13653564453125	148.0
191.10650634765625	4744.0
192.1134033203125	632.0
193.1212158203125	1276.0
194.12313842773438	160.0
194.8528594970703	172.0
195.12179565429688	336.0
196.13116455078125	268.0
197.0957489013672	156.0
197.13406372070312	536.0
198.13983154296875	232.0
199.11102294921875	224.0
199.14852905273438	304.0
200.1194610595703	128.0
200.1599578857422	240.0
201.12985229492188	1236.0
202.1305694580078	192.0
203.10377502441406	196.0
203.1463623046875	936.0
204.14837646484375	396.0
205.11727905273438	372.0
205.15097045898438	148.0
206.13278198242188	180.0
207.10235595703125	356.0
208.12066650390625	192.0
209.11671447753906	956.0
210.13192749023438	296.0
211.13014221191406	664.0
212.1134490966797	188.0
212.1516876220703	144.0
213.12762451171875	824.0
213.16554260253906	120.0
214.13150024414062	304.0
215.1095733642578	148.0
215.14402770996094	240.0
215.18043518066406	148.0
216.14224243164062	156.0
217.12351989746094	268.0
217.15771484375	172.0
218.1090850830078	156.0
218.16200256347656	224.0
219.1377410888672	1392.0
220.14236450195312	200.0
221.11160278320312	156.0
221.14700317382812	380.0
222.1008758544922	164.0
223.1123809814453	268.0
223.14344787597656	184.0
224.109375	184.0
224.1470489501953	284.0
225.1233673095703	396.0
225.161865234375	416.0
226.1344757080078	156.0
226.1611328125	220.0
227.11521911621094	160.0
227.13986206054688	500.0
227.17857360839844	132.0
228.148193359375	140.0
229.11810302734375	152.0
230.1260223388672	156.0
231.13778686523438	1136.0
232.13900756835938	176.0
233.15554809570312	156.0
234.14976501464844	144.0
234.18504333496094	176.0
235.14588928222656	188.0
235.55458068847656	160.0
237.1181640625	140.0
238.1370391845703	168.0
239.14205932617188	172.0
240.15573120117188	144.0
241.02012634277344	156.0
241.12828063964844	184.0
241.16436767578125	160.0
241.1909637451172	184.0
245.14781188964844	248.0
245.41835021972656	184.0
246.14608764648438	208.0
247.13621520996094	196.0
248.13531494140625	168.0
249.12600708007812	128.0
251.18115234375	420.0
251.466552734375	144.0
252.0855255126953	168.0
252.15188598632812	188.0
253.15884399414062	252.0
254.28016662597656	196.0
255.13992309570312	132.0
256.21026611328125	252.0
257.1517333984375	144.0
259.1697082519531	324.0
261.1575012207031	224.0
262.1750183105469	328.0
262.7471923828125	180.0
264.1524353027344	384.0
265.1820983886719	184.0
269.1918640136719	408.0
270.1847839355469	160.0
271.1679382324219	720.0
272.4358825683594	148.0
273.1554260253906	148.0
279.1730651855469	696.0
280.1698913574219	280.0
281.1739807128906	136.0
282.15594482421875	152.0
284.8236389160156	172.0
285.1895446777344	160.0
286.9066162109375	152.0
287.2030029296875	260.0
288.2006530761719	184.0
289.1812438964844	616.0
294.09124755859375	160.0
297.18682861328125	1224.0
298.18511962890625	424.0
299.19073486328125	160.0
302.1183776855469	180.0
311.18939208984375	132.0
315.1962890625	880.0
316.1180114746094	156.0
316.1947937011719	512.0
318.102783203125	144.0
320.10443115234375	148.0
321.0951232910156	208.0
323.1955871582031	144.0
333.2086181640625	304.0
345.08349609375	124.0
346.0945129394531	580.0
347.04925537109375	140.0
347.1020812988281	2596.0
348.108642578125	532.0
349.105224609375	324.0
357.20452880859375	468.0
358.21148681640625	156.0
359.1097106933594	140.0
360.0945129394531	236.0
360.9866638183594	172.0
361.1075744628906	1708.0
361.5389709472656	164.0
362.11419677734375	7736.0
362.5366516113281	168.0
363.1182861328125	1816.0
364.1246032714844	272.0
374.1009521484375	148.0
375.2166442871094	312.0
376.2052917480469	208.0
386.1207580566406	148.0
388.0823669433594	280.0
388.1374816894531	172.0
389.0977783203125	296.0
390.1202087402344	180.0
398.443603515625	148.0
400.131591796875	120.0
401.13690185546875	96.0
405.13287353515625	264.0
407.2393493652344	128.0
411.8515319824219	136.0
412.1565246582031	112.0
414.1043701171875	184.0
414.1772766113281	240.0
416.16033935546875	168.0
422.1256408691406	248.0
424.1521911621094	148.0
425.1201171875	160.0
426.1432800292969	300.0
426.8412780761719	156.0
427.1542053222656	124.0
432.1373291015625	200.0
438.1365051269531	176.0
438.1823425292969	196.0
439.15936279296875	116.0
441.17254638671875	136.0
454.143798828125	136.0
455.1486511230469	116.0
456.1534423828125	356.0
464.1374206542969	140.0
464.3720703125	140.0
465.1670227050781	192.0
466.1769714355469	1024.0
466.232177734375	116.0
467.17816162109375	804.0
468.1661376953125	292.0
468.1939392089844	504.0
469.20098876953125	160.0
472.45721435546875	256.0
479.1743469238281	112.0
481.2013854980469	192.0
482.1715087890625	248.0
483.1602478027344	500.0
484.1874084472656	368.0
494.05645751953125	180.0
494.1777648925781	540.0
494.2821044921875	184.0
495.1770935058594	616.0
496.1841125488281	372.0
497.1861267089844	176.0
506.213623046875	248.0
507.2266845703125	108.0
509.1950988769531	128.0
509.2794494628906	144.0
510.1670227050781	300.0
511.1689758300781	352.0
512.182861328125	800.0
513.18212890625	460.0
515.1917724609375	164.0
517.6679077148438	164.0
520.1934814453125	96.0
521.1951293945312	160.0
522.2127075195312	148.0
523.2056274414062	348.0
524.1546020507812	140.0
524.2160034179688	152.0
524.9660034179688	172.0
525.2357788085938	124.0
527.2348022460938	192.0
528.2315673828125	140.0
535.197509765625	140.0
537.212158203125	140.0
538.1945190429688	368.0
539.2022094726562	172.0
540.2025146484375	180.0
541.2095947265625	136.0
545.3432006835938	176.0
548.2146606445312	156.0
550.22265625	124.0
551.9957885742188	140.0
552.2140502929688	228.0
552.2763671875	196.0
553.19873046875	124.0
554.228515625	376.0
556.2075805664062	156.0
557.123291015625	148.0
564.813232421875	132.0
566.2417602539062	124.0
570.2114868164062	312.0
571.2508544921875	100.0
572.0670166015625	152.0
573.2577514648438	160.0
575.427978515625	212.0
576.2255859375	164.0
580.2313232421875	180.0
583.2596435546875	144.0
584.7081298828125	188.0
594.2614135742188	172.0
596.2484130859375	216.0
601.0782470703125	228.0
602.254638671875	144.0
604.2694091796875	96.0
612.284912109375	124.0
615.2677612304688	144.0
620.2830200195312	200.0
622.2848510742188	296.0
623.286376953125	224.0
624.2623901367188	136.0
632.1072998046875	148.0
639.2177124023438	160.0
640.3078002929688	148.0
642.2808227539062	188.0
647.65380859375	192.0
649.0423583984375	148.0
649.3009643554688	144.0
649.6357421875	176.0
650.2865600585938	192.0
651.26513671875	172.0
654.2789916992188	116.0
655.9361572265625	148.0
656.2677612304688	100.0
658.2900390625	592.0
659.3031005859375	280.0
660.2888793945312	152.0
660.884765625	192.0
664.2711791992188	168.0
664.4763793945312	156.0
666.24755859375	176.0
667.3370971679688	236.0
673.3049926757812	196.0
674.2964477539062	172.0
675.2750854492188	232.0
676.304931640625	1580.0
677.297607421875	916.0
678.3171997070312	400.0
678.483642578125	152.0
679.31787109375	120.0
682.0966796875	156.0
682.3173828125	216.0
684.3298950195312	128.0
688.9752807617188	144.0
690.3043212890625	124.0
691.2078247070312	156.0
692.2510375976562	148.0
692.3101196289062	228.0
693.2818603515625	108.0
693.3274536132812	144.0
693.4334716796875	140.0
694.310791015625	204.0
694.3981323242188	156.0
695.3087158203125	592.0
696.3187255859375	212.0
696.639404296875	144.0
697.3272705078125	144.0
698.0479736328125	140.0
701.427978515625	168.0
706.2777709960938	136.0
707.3126220703125	120.0
707.6635131835938	108.0
708.325927734375	604.0
709.16748046875	124.0
709.3275756835938	544.0
710.2886962890625	196.0
710.3269653320312	220.0
714.9710083007812	200.0
718.30615234375	352.0
719.3150634765625	264.0
721.3340454101562	108.0
721.9702758789062	140.0
722.9010620117188	148.0
724.6519775390625	172.0
725.328857421875	184.0
726.3255004882812	260.0
727.343505859375	252.0
728.3427734375	164.0
732.8939819335938	144.0
734.3124389648438	96.0
734.9752807617188	180.0
735.3206176757812	128.0
736.32373046875	3072.0
736.8920288085938	152.0
737.32861328125	1292.0
738.3267822265625	344.0
739.3273315429688	208.0
739.3533325195312	120.0
739.7095336914062	160.0
740.4459228515625	140.0
741.0905151367188	152.0
745.8171997070312	176.0
746.2303466796875	188.0
748.7152709960938	104.0
749.7388916015625	132.0
750.2590942382812	148.0
750.3397216796875	252.0
750.4471435546875	112.0
751.347900390625	244.0
752.321533203125	680.0
752.9871826171875	112.0
753.25048828125	160.0
753.3237915039062	304.0
753.5896606445312	124.0
753.6318969726562	144.0
753.7864379882812	200.0
754.0306396484375	132.0
754.2269897460938	288.0
754.3340454101562	33976.0
754.5167236328125	108.0
754.7633666992188	204.0
754.9009399414062	168.0
755.2156372070312	136.0
755.33642578125	15564.0
755.75048828125	128.0
756.014892578125	196.0
756.3394165039062	4348.0
756.4569702148438	128.0
756.5166625976562	132.0
756.65771484375	172.0
756.8713989257812	184.0
757.3484497070312	860.0
757.7572631835938	144.0
758.1057739257812	132.0
758.231201171875	168.0
758.3451538085938	252.0
758.8822021484375	108.0
758.9830932617188	116.0
759.20068359375	180.0
759.3400268554688	96.0
759.8645629882812	96.0
760.6442260742188	124.0
762.2014770507812	144.0
764.1908569335938	184.0
766.326171875	160.0
767.250732421875	128.0
767.3359375	144.0
768.352783203125	1084.0
768.4266357421875	312.0
769.3428344726562	488.0
770.001953125	156.0
770.3627319335938	248.0
770.681396484375	160.0
770.7830810546875	188.0
773.7398681640625	156.0
773.8505859375	156.0
774.249267578125	148.0
774.6054077148438	148.0
776.0280151367188	152.0
777.217529296875	112.0
778.200927734375	140.0
778.4805297851562	148.0
778.5762329101562	124.0
779.5137939453125	140.0
779.6416015625	192.0
780.5390625	116.0
780.9369506835938	184.0
782.8743896484375	128.0
783.0240478515625	224.0
783.5457153320312	124.0
783.600830078125	116.0
783.8499755859375	188.0
784.0422973632812	216.0
784.3446044921875	1936.0
784.4227905273438	132.0
784.5620727539062	284.0
784.7069091796875	224.0
784.8265991210938	144.0
784.9020385742188	164.0
785.0370483398438	152.0
785.1068725585938	224.0
785.242919921875	228.0
785.3463745117188	1344.0
785.5126953125	348.0
785.6856689453125	144.0
785.7539672851562	140.0
785.7748413085938	144.0
785.8817749023438	172.0
785.9827270507812	232.0
786.0593872070312	200.0
786.1925659179688	204.0
786.244384765625	228.0
786.3616943359375	136572.0
786.5167846679688	136.0
786.8688354492188	188.0
786.8916625976562	324.0
786.9686889648438	144.0
787.0228881835938	136.0
787.04833984375	444.0
787.1893920898438	180.0
787.2057495117188	256.0
787.2608032226562	552.0
787.3638916015625	56312.0
787.5515747070312	248.0
787.6622314453125	168.0
787.7515258789062	220.0
787.8565063476562	104.0
787.9508666992188	168.0
787.999267578125	188.0
788.09130859375	280.0
788.2081298828125	232.0
788.3668212890625	17100.0
788.5276489257812	228.0
788.6665649414062	204.0
788.74560546875	184.0
788.806884765625	228.0
788.8801879882812	232.0
789.0367431640625	104.0
789.1187744140625	172.0
789.25048828125	144.0
789.3677978515625	3636.0
789.569580078125	120.0
790.1048583984375	120.0
790.3790893554688	912.0
790.5075073242188	216.0
790.62451171875	112.0
790.6436767578125	100.0
790.8578491210938	152.0
791.0126342773438	196.0
791.09814453125	224.0
791.28369140625	104.0
791.3450317382812	292.0
791.4046020507812	352.0
791.5137939453125	200.0
791.5640258789062	368.0
791.6282348632812	108.0
791.750732421875	100.0
791.9911499023438	120.0
792.0977172851562	224.0
792.2141723632812	148.0
792.3568725585938	96.0
792.4380493164062	116.0
792.482177734375	140.0
793.016357421875	124.0
793.2529907226562	196.0
793.39990234375	124.0
793.4835205078125	132.0
793.6171264648438	172.0
794.3930053710938	156.0
794.4637451171875	124.0
795.0984497070312	132.0
795.2515258789062	144.0
800.4450073242188	108.0
809.372314453125	140.0
865.258056640625	160.0
986.2660522460938	280.0
1055.8555908203125	196.0
1060.646728515625	144.0
1103.289794921875	240.0
1226.1212158203125	200.0
1236.268310546875	168.0
1246.5908203125	184.0
1295.577880859375	164.0
1295.8502197265625	160.0
1362.507080078125	180.0
1428.96923828125	164.0
1480.227783203125	148.0
1495.2666015625	172.0
1500.9979248046875	180.0
1515.1575927734375	200.0
1526.23291015625	172.0
1537.3486328125	160.0
1558.3258056640625	180.0
1573.692138671875	172.0
1615.1279296875	168.0
1625.125732421875	148.0
1656.79443359375	168.0
1663.41162109375	156.0
1670.5787353515625	156.0
1697.055908203125	144.0
1699.6068115234375	200.0
1709.5330810546875	248.0
1711.25341796875	212.0
1715.3477783203125	176.0
1733.3897705078125	156.0
1737.94775390625	164.0
1762.387939453125	196.0
1767.329345703125	160.0
1781.2208251953125	152.0
1782.6322021484375	192.0
1792.6461181640625	168.0
1807.821044921875	208.0
1813.758056640625	160.0
1820.859619140625	168.0
1822.949462890625	208.0
1823.161865234375	184.0
1832.48779296875	156.0
1832.9393310546875	148.0
1837.603271484375	156.0
1843.7086181640625	192.0
1853.6781005859375	156.0
1873.490966796875	272.0
1891.75537109375	140.0
1899.4761962890625	156.0
1901.0206298828125	164.0
1911.11328125	132.0
1923.448974609375	224.0
1931.864013671875	148.0
1938.798583984375	200.0
1951.9573974609375	204.0
1954.0330810546875	184.0
1958.4698486328125	172.0
1959.993896484375	176.0
1962.1531982421875	184.0
1971.8807373046875	176.0
1989.5687255859375	140.0
1994.1710205078125	216.0
2002.9617919921875	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000079275
PEPMASS=808.349854
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=41.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=278b19f5865741e282cec7349aa7e7a1/NCP003512_A2_B11_BD4_01_15728.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-NIH-CLINICALCOLLECTION1
NAME=RIFAXIMIN [M+Na]+
PI=Dorrestein
DATACOLLECTOR=Garg_Neha
SMILES=CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c4c5nc6cc(C)ccn6c5c(NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)C)c(O)c4c(O)c3C
INCHI=InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1
INCHIAUX=NZCRJKRKKOLAOJ-IIBMFGDOSA-N
PUBMED=N/A
SUBMITUSER=negarg
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00000079275
USI=mzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000079275
SCANS=1651
67.82028198242188	144.0
67.94818878173828	156.0
79.40435791015625	180.0
85.35934448242188	188.0
118.03691864013672	176.0
121.09893798828125	156.0
123.0781478881836	288.0
136.30616760253906	140.0
140.75450134277344	220.0
141.09237670898438	168.0
151.0734405517578	192.0
156.87744140625	168.0
159.06475830078125	200.0
168.09959411621094	180.0
175.11007690429688	172.0
177.0962371826172	168.0
181.08607482910156	196.0
188.0619659423828	180.0
190.0787811279297	176.0
191.08453369140625	152.0
198.8010711669922	192.0
199.10987854003906	160.0
201.05520629882812	160.0
207.0982208251953	188.0
218.11495971679688	160.0
222.12490844726562	264.0
233.11573791503906	272.0
235.0931854248047	132.0
239.12974548339844	168.0
250.1395721435547	164.0
255.55760192871094	156.0
256.7138671875	220.0
258.99578857421875	208.0
259.13031005859375	184.0
261.1526794433594	196.0
261.17840576171875	144.0
265.14202880859375	340.0
284.397216796875	152.0
293.1341247558594	360.0
301.1795959472656	220.0
316.1852722167969	272.0
317.1903076171875	168.0
323.1453552246094	108.0
330.4745178222656	156.0
333.6988525390625	140.0
345.09063720703125	156.0
346.0970153808594	196.0
346.4933166503906	180.0
347.1053771972656	792.0
348.1023254394531	172.0
361.1934509277344	280.0
363.1149597167969	172.0
369.08526611328125	3456.0
370.0865783691406	1316.0
370.19439697265625	100.0
371.0945739746094	120.0
371.21893310546875	212.0
376.2168884277344	136.0
377.1091613769531	172.0
377.95220947265625	140.0
383.0878601074219	2048.0
384.0950622558594	1304.0
385.0947570800781	328.0
386.11297607421875	132.0
386.2309265136719	116.0
387.2197265625	640.0
389.15435791015625	152.0
396.1070556640625	184.0
402.2168884277344	224.0
406.1319580078125	140.0
410.06011962890625	164.0
411.093505859375	132.0
413.59014892578125	148.0
417.2613525390625	160.0
422.11590576171875	132.0
424.69342041015625	236.0
430.2156066894531	228.0
430.8598327636719	152.0
431.2301025390625	204.0
433.0646057128906	176.0
447.2325134277344	368.0
448.22564697265625	200.0
450.82080078125	140.0
451.1568298339844	192.0
456.14410400390625	140.0
462.24517822265625	196.0
463.2265319824219	140.0
466.1555480957031	136.0
476.12237548828125	116.0
477.12982177734375	444.0
478.1326904296875	192.0
483.1593017578125	148.0
489.17578125	152.0
490.1887512207031	276.0
492.5711669921875	144.0
494.1606750488281	136.0
497.17578125	168.0
501.1956481933594	164.0
505.15997314453125	168.0
506.17108154296875	468.0
506.8838195800781	148.0
507.1689758300781	340.0
507.7086486816406	176.0
508.17822265625	368.0
522.1341552734375	120.0
532.191162109375	188.0
533.1342163085938	144.0
534.1665649414062	304.0
534.8759155273438	144.0
535.16943359375	236.0
535.2304077148438	152.0
536.173583984375	828.0
540.1239624023438	240.0
544.0054321289062	152.0
546.1956176757812	120.0
547.2085571289062	288.0
549.2496948242188	172.0
550.1946411132812	300.0
551.1630249023438	132.0
552.1735229492188	164.0
560.1951293945312	160.0
560.6050415039062	168.0
563.2045288085938	220.0
564.2061157226562	148.0
565.218505859375	140.0
568.1406860351562	108.0
569.1621704101562	220.0
575.1988525390625	152.0
578.1956787109375	312.0
579.2053833007812	208.0
580.2888793945312	156.0
580.5286254882812	140.0
582.1602172851562	140.0
591.2764892578125	152.0
592.2021484375	340.0
593.2162475585938	540.0
594.2108764648438	104.0
600.2489624023438	156.0
603.2547607421875	128.0
604.2415771484375	144.0
609.1760864257812	148.0
615.5787963867188	168.0
618.2278442382812	168.0
620.2323608398438	124.0
621.2474975585938	124.0
622.246826171875	180.0
624.2954711914062	200.0
626.246337890625	192.0
626.9288940429688	140.0
628.1654052734375	176.0
636.2271728515625	268.0
639.2579956054688	160.0
644.2693481445312	248.0
646.3021240234375	152.0
647.4107055664062	172.0
650.1380615234375	160.0
652.2586059570312	152.0
653.270751953125	120.0
654.3079833984375	156.0
661.0382690429688	160.0
661.291748046875	104.0
662.2808837890625	2652.0
663.14697265625	128.0
663.21484375	140.0
663.292724609375	2584.0
663.630126953125	140.0
664.2868041992188	808.0
664.5020141601562	140.0
665.2962646484375	176.0
673.2783203125	160.0
676.3235473632812	164.0
678.3385009765625	140.0
682.281982421875	136.0
687.78466796875	156.0
690.287841796875	276.0
693.2443237304688	136.0
694.2407836914062	268.0
694.2775268554688	180.0
694.3404541015625	144.0
695.3214721679688	148.0
698.2780151367188	212.0
702.3137817382812	176.0
704.2930908203125	168.0
705.286865234375	108.0
708.3167114257812	140.0
716.2949829101562	2900.0
717.3001098632812	1488.0
717.7197265625	140.0
718.2986450195312	688.0
719.181396484375	168.0
719.3115844726562	252.0
721.3062133789062	176.0
722.3026733398438	504.0
723.3013916015625	360.0
724.305908203125	128.0
724.4055786132812	176.0
730.310791015625	224.0
731.326904296875	140.0
734.3091430664062	144.0
746.8121948242188	176.0
747.470458984375	164.0
748.15625	180.0
748.318603515625	1568.0
748.4387817382812	248.0
749.3264770507812	2012.0
750.3285522460938	924.0
751.3384399414062	244.0
752.32666015625	212.0
752.3732299804688	120.0
754.342041015625	120.0
758.2952880859375	308.0
760.3125	212.0
763.4382934570312	148.0
763.7958374023438	176.0
765.3477172851562	152.0
773.678955078125	148.0
775.811767578125	156.0
776.0723876953125	112.0
776.3113403320312	3108.0
776.4913330078125	108.0
776.5401000976562	208.0
777.2393188476562	124.0
777.3157348632812	2048.0
778.2251586914062	148.0
778.3255004882812	1308.0
778.4528198242188	140.0
779.3197631835938	144.0
786.346923828125	140.0
787.3540649414062	128.0
790.3232421875	240.0
791.330810546875	212.0
791.3821411132812	224.0
801.955810546875	152.0
802.2883911132812	184.0
805.0192260742188	176.0
805.3355102539062	140.0
805.828369140625	452.0
806.3439331054688	432.0
806.5559692382812	140.0
806.8302001953125	408.0
807.3319091796875	128.0
808.14013671875	336.0
808.3427734375	20248.0
808.493408203125	200.0
808.5736083984375	96.0
808.7171020507812	124.0
809.1429443359375	124.0
809.3471069335938	10972.0
809.5077514648438	124.0
809.650390625	128.0
810.3455200195312	2728.0
810.4859008789062	112.0
810.9537963867188	140.0
811.3412475585938	548.0
812.3474731445312	152.0
812.7781372070312	160.0
813.1190185546875	100.0
813.3551635742188	280.0
813.483642578125	148.0
844.3045654296875	160.0
923.3106689453125	160.0
924.000244140625	164.0
934.7396240234375	172.0
1899.068603515625	144.0
END IONS